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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 3.5670029968023296*${_u_distance}
variable latticeconst_converted equal 3.5670029968023296*1
lattice       diamond  ${latticeconst_converted}
lattice       diamond  3.56700299680233
Lattice spacing in x,y,z = 3.5670030 3.5670030 3.5670030
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.670030 35.670030 35.670030)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 8000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (35.670030 35.670030 35.670030)
  create_atoms CPU = 0.002 seconds

variable mass_converted equal 12.0107*${_u_mass}
variable mass_converted equal 12.0107*1

kim_interactions C

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

kim interactions C
#=== BEGIN kim interactions ==================================
pair_style kim MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001
pair_coeff * * C
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 12.0107

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 45384.7996524405    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 45384.7996524405/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 45384.7996524405/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 45384.7996524405/(1*1*${_u_distance})
variable      V0_metal equal 45384.7996524405/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 45384.7996524405*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 45384.7996524405 Angstroms^3

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

variable temp_converted equal 333.15*${_u_temperature}
variable temp_converted equal 333.15*1
variable Tdamp_converted equal 0.1*${_u_time}
variable Tdamp_converted equal 0.1*1
variable press_converted equal 0.0*${_u_pressure}
variable press_converted equal 0.0*1
variable Pdamp_converted equal 1*${_u_time}
variable Pdamp_converted equal 1*1

# create initial velocities consistent with the chosen temperature
velocity      all create ${temp_converted} 17 mom yes rot yes
velocity      all create 333.15 17 mom yes rot yes

# set NPT ensemble for all atoms
fix           ensemble all npt temp ${temp_converted} ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 333.15 333.15 0.1               iso 0 0 1

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

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

# set error bounds for temperature and pressure in original metal units (K and bar)
variable      T_low equal  "333.15 - 0.2"
variable      T_up  equal  "333.15 + 0.2"
variable      P_low equal  "0.0 - 0.2"
variable      P_up  equal  "0.0 + 0.2"

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/MO_427873955970_001#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
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.56 | 14.56 | 14.56 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -58423.538   -58423.538   -58767.999   -58767.999       333.15       333.15      45384.8      45384.8    8106.7808    8106.7808 
    1000   -58045.424   -58045.424    -58401.32    -58401.32    344.20883    344.20883    45736.476    45736.476   -2268.6321   -2268.6321 
Loop time of 445.93 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.194 ns/day, 123.870 hours/ns, 2.243 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    | 445.06     | 445.06     | 445.06     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11657    | 0.11657    | 0.11657    |   0.0 |  0.03
Output  | 0.00022885 | 0.00022885 | 0.00022885 |   0.0 |  0.00
Modify  | 0.64781    | 0.64781    | 0.64781    |   0.0 |  0.15
Other   |            | 0.101      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19200e+06 ave   2.192e+06 max   2.192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2192000
Ave neighs/atom = 274.00000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -58045.424   -58045.424    -58401.32    -58401.32    344.20883    344.20883    45736.476    45736.476   -2268.6321   -2268.6321 
    2000   -58081.573   -58081.573   -58433.451   -58433.451    340.32366    340.32366    45704.563    45704.563   -1469.2665   -1469.2665 
Loop time of 432.16 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.200 ns/day, 120.044 hours/ns, 2.314 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 431.32     | 431.32     | 431.32     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11216    | 0.11216    | 0.11216    |   0.0 |  0.03
Output  | 0.00027423 | 0.00027423 | 0.00027423 |   0.0 |  0.00
Modify  | 0.62722    | 0.62722    | 0.62722    |   0.0 |  0.15
Other   |            | 0.09824    |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19188e+06 ave 2.19188e+06 max 2.19188e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191880
Ave neighs/atom = 273.98500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -58081.573   -58081.573   -58433.451   -58433.451    340.32366    340.32366    45704.563    45704.563   -1469.2665   -1469.2665 
    3000   -58065.998   -58065.998   -58417.597   -58417.597     340.0537     340.0537    45685.934    45685.934    983.41475    983.41475 
Loop time of 433.695 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.199 ns/day, 120.471 hours/ns, 2.306 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 432.85     | 432.85     | 432.85     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11272    | 0.11272    | 0.11272    |   0.0 |  0.03
Output  | 0.00015878 | 0.00015878 | 0.00015878 |   0.0 |  0.00
Modify  | 0.6312     | 0.6312     | 0.6312     |   0.0 |  0.15
Other   |            | 0.09862    |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191934
Ave neighs/atom = 273.99175
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -58065.998   -58065.998   -58417.597   -58417.597     340.0537     340.0537    45685.934    45685.934    983.41475    983.41475 
    4000   -58069.727   -58069.727   -58401.956   -58401.956    321.31958    321.31958    45705.355    45705.355   -95.846738   -95.846738 
Loop time of 835.332 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.103 ns/day, 232.037 hours/ns, 1.197 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 833.71     | 833.71     | 833.71     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22149    | 0.22149    | 0.22149    |   0.0 |  0.03
Output  | 0.00047602 | 0.00047602 | 0.00047602 |   0.0 |  0.00
Modify  | 1.2092     | 1.2092     | 1.2092     |   0.0 |  0.14
Other   |            | 0.188      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19191e+06 ave 2.19191e+06 max 2.19191e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191908
Ave neighs/atom = 273.98850
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -58069.727   -58069.727   -58401.956   -58401.956    321.31958    321.31958    45705.355    45705.355   -95.846738   -95.846738 
    5000   -58074.496   -58074.496   -58411.522   -58411.522    325.95868    325.95868    45710.497    45710.497   -997.09354   -997.09354 
Loop time of 799.088 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.108 ns/day, 221.969 hours/ns, 1.251 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 797.53     | 797.53     | 797.53     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.2073     | 0.2073     | 0.2073     |   0.0 |  0.03
Output  | 0.00034148 | 0.00034148 | 0.00034148 |   0.0 |  0.00
Modify  | 1.1738     | 1.1738     | 1.1738     |   0.0 |  0.15
Other   |            | 0.1769     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19188e+06 ave 2.19188e+06 max 2.19188e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191878
Ave neighs/atom = 273.98475
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.705512480686, Press = -452.966240253708
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -58074.496   -58074.496   -58411.522   -58411.522    325.95868    325.95868    45710.497    45710.497   -997.09354   -997.09354 
    6000   -58064.202   -58064.202   -58409.268   -58409.268    333.73475    333.73475    45665.063    45665.063    3546.6286    3546.6286 
Loop time of 779.49 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.111 ns/day, 216.525 hours/ns, 1.283 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    | 777.96     | 777.96     | 777.96     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.20523    | 0.20523    | 0.20523    |   0.0 |  0.03
Output  | 0.00041957 | 0.00041957 | 0.00041957 |   0.0 |  0.00
Modify  | 1.1476     | 1.1476     | 1.1476     |   0.0 |  0.15
Other   |            | 0.1745     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19189e+06 ave 2.19189e+06 max 2.19189e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191890
Ave neighs/atom = 273.98625
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.72233943524, Press = -12.956082364429
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -58064.202   -58064.202   -58409.268   -58409.268    333.73475    333.73475    45665.063    45665.063    3546.6286    3546.6286 
    7000   -58076.515   -58076.515   -58415.071   -58415.071    327.43891    327.43891    45711.515    45711.515   -1158.7937   -1158.7937 
Loop time of 792.55 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.109 ns/day, 220.153 hours/ns, 1.262 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 791.02     | 791.02     | 791.02     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.20934    | 0.20934    | 0.20934    |   0.0 |  0.03
Output  | 0.00023371 | 0.00023371 | 0.00023371 |   0.0 |  0.00
Modify  | 1.136      | 1.136      | 1.136      |   0.0 |  0.14
Other   |            | 0.1857     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191926
Ave neighs/atom = 273.99075
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.988128497668, Press = 47.1319801713593
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -58076.515   -58076.515   -58415.071   -58415.071    327.43891    327.43891    45711.515    45711.515   -1158.7937   -1158.7937 
    8000   -58065.565   -58065.565   -58410.101   -58410.101    333.22314    333.22314    45723.333    45723.333   -2056.4999   -2056.4999 
Loop time of 811.074 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.107 ns/day, 225.298 hours/ns, 1.233 timesteps/s
98.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 809.52     | 809.52     | 809.52     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21417    | 0.21417    | 0.21417    |   0.0 |  0.03
Output  | 0.00028707 | 0.00028707 | 0.00028707 |   0.0 |  0.00
Modify  | 1.1667     | 1.1667     | 1.1667     |   0.0 |  0.14
Other   |            | 0.173      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19191e+06 ave 2.19191e+06 max 2.19191e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191912
Ave neighs/atom = 273.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.098470206401, Press = -19.0325626924472
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -58065.565   -58065.565   -58410.101   -58410.101    333.22314    333.22314    45723.333    45723.333   -2056.4999   -2056.4999 
    9000   -58072.887   -58072.887   -58418.454   -58418.454    334.21897    334.21897    45684.353    45684.353    1204.4333    1204.4333 
Loop time of 814.224 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.106 ns/day, 226.173 hours/ns, 1.228 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 812.67     | 812.67     | 812.67     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21588    | 0.21588    | 0.21588    |   0.0 |  0.03
Output  | 0.00022045 | 0.00022045 | 0.00022045 |   0.0 |  0.00
Modify  | 1.1637     | 1.1637     | 1.1637     |   0.0 |  0.14
Other   |            | 0.1777     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19187e+06 ave 2.19187e+06 max 2.19187e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191866
Ave neighs/atom = 273.98325
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.015017157867, Press = -2.04648017472445
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -58072.887   -58072.887   -58418.454   -58418.454    334.21897    334.21897    45684.353    45684.353    1204.4333    1204.4333 
   10000   -58072.794   -58072.794   -58419.445   -58419.445    335.26757    335.26757    45701.786    45701.786   -375.65306   -375.65306 
Loop time of 841.216 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.103 ns/day, 233.671 hours/ns, 1.189 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 839.6      | 839.6      | 839.6      |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22315    | 0.22315    | 0.22315    |   0.0 |  0.03
Output  | 0.00021503 | 0.00021503 | 0.00021503 |   0.0 |  0.00
Modify  | 1.211      | 1.211      | 1.211      |   0.0 |  0.14
Other   |            | 0.1817     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19187e+06 ave 2.19187e+06 max 2.19187e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191872
Ave neighs/atom = 273.98400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.133735155872, Press = 3.54391227857006
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -58072.794   -58072.794   -58419.445   -58419.445    335.26757    335.26757    45701.786    45701.786   -375.65306   -375.65306 
   11000   -58063.949   -58063.949    -58414.06    -58414.06    338.61411    338.61411    45715.683    45715.683   -1227.4792   -1227.4792 
Loop time of 789.502 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.109 ns/day, 219.306 hours/ns, 1.267 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 787.99     | 787.99     | 787.99     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.20855    | 0.20855    | 0.20855    |   0.0 |  0.03
Output  | 0.00044019 | 0.00044019 | 0.00044019 |   0.0 |  0.00
Modify  | 1.1345     | 1.1345     | 1.1345     |   0.0 |  0.14
Other   |            | 0.1726     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19189e+06 ave 2.19189e+06 max 2.19189e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191888
Ave neighs/atom = 273.98600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.126629339815, Press = -4.87057058122352
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -58063.949   -58063.949    -58414.06    -58414.06    338.61411    338.61411    45715.683    45715.683   -1227.4792   -1227.4792 
   12000   -58072.869   -58072.869    -58418.33    -58418.33    334.11722    334.11722    45679.825    45679.825    1580.5306    1580.5306 
Loop time of 781.421 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.111 ns/day, 217.061 hours/ns, 1.280 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 779.91     | 779.91     | 779.91     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.20878    | 0.20878    | 0.20878    |   0.0 |  0.03
Output  | 0.00045503 | 0.00045503 | 0.00045503 |   0.0 |  0.00
Modify  | 1.1266     | 1.1266     | 1.1266     |   0.0 |  0.14
Other   |            | 0.1738     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19190e+06 ave  2.1919e+06 max  2.1919e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191904
Ave neighs/atom = 273.98800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.288403549443, Press = -3.74445630956357
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -58072.869   -58072.869    -58418.33    -58418.33    334.11722    334.11722    45679.825    45679.825    1580.5306    1580.5306 
   13000   -58065.198   -58065.198   -58414.949   -58414.949     338.2666     338.2666    45702.209    45702.209   -140.34123   -140.34123 
Loop time of 810.916 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.107 ns/day, 225.255 hours/ns, 1.233 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 809.36     | 809.36     | 809.36     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21499    | 0.21499    | 0.21499    |   0.0 |  0.03
Output  | 0.00026556 | 0.00026556 | 0.00026556 |   0.0 |  0.00
Modify  | 1.1584     | 1.1584     | 1.1584     |   0.0 |  0.14
Other   |            | 0.178      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19191e+06 ave 2.19191e+06 max 2.19191e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191914
Ave neighs/atom = 273.98925
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.41941721086, Press = 9.56305984076815
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -58065.198   -58065.198   -58414.949   -58414.949     338.2666     338.2666    45702.209    45702.209   -140.34123   -140.34123 
   14000   -58074.575   -58074.575   -58419.235   -58419.235    333.34261    333.34261    45734.342    45734.342   -3440.5602   -3440.5602 
Loop time of 807.35 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.107 ns/day, 224.264 hours/ns, 1.239 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 805.82     | 805.82     | 805.82     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21455    | 0.21455    | 0.21455    |   0.0 |  0.03
Output  | 0.00023398 | 0.00023398 | 0.00023398 |   0.0 |  0.00
Modify  | 1.1448     | 1.1448     | 1.1448     |   0.0 |  0.14
Other   |            | 0.1735     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19191e+06 ave 2.19191e+06 max 2.19191e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191906
Ave neighs/atom = 273.98825
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.34191811722, Press = -6.64912798486091
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -58074.575   -58074.575   -58419.235   -58419.235    333.34261    333.34261    45734.342    45734.342   -3440.5602   -3440.5602 
   15000   -58075.123   -58075.123   -58418.021   -58418.021    331.63888    331.63888    45666.646    45666.646    2707.0083    2707.0083 
Loop time of 815.256 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.106 ns/day, 226.460 hours/ns, 1.227 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 813.7      | 813.7      | 813.7      |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22974    | 0.22974    | 0.22974    |   0.0 |  0.03
Output  | 0.00022173 | 0.00022173 | 0.00022173 |   0.0 |  0.00
Modify  | 1.1547     | 1.1547     | 1.1547     |   0.0 |  0.14
Other   |            | 0.1751     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19189e+06 ave 2.19189e+06 max 2.19189e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191890
Ave neighs/atom = 273.98625
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.31535945603, Press = -4.68720711522236
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -58075.123   -58075.123   -58418.021   -58418.021    331.63888    331.63888    45666.646    45666.646    2707.0083    2707.0083 
   16000   -58070.458   -58070.458   -58415.695   -58415.695    333.90111    333.90111    45696.946    45696.946    263.30759    263.30759 
Loop time of 809.721 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.107 ns/day, 224.923 hours/ns, 1.235 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 808.19     | 808.19     | 808.19     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21667    | 0.21667    | 0.21667    |   0.0 |  0.03
Output  | 0.00021865 | 0.00021865 | 0.00021865 |   0.0 |  0.00
Modify  | 1.1461     | 1.1461     | 1.1461     |   0.0 |  0.14
Other   |            | 0.1725     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19191e+06 ave 2.19191e+06 max 2.19191e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191914
Ave neighs/atom = 273.98925
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.13352720674, Press = 6.59297783892727
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -58070.458   -58070.458   -58415.695   -58415.695    333.90111    333.90111    45696.946    45696.946    263.30759    263.30759 
   17000   -58075.992   -58075.992   -58416.682   -58416.682    329.50266    329.50266    45722.932    45722.932   -2299.7904   -2299.7904 
Loop time of 832.703 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.104 ns/day, 231.306 hours/ns, 1.201 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 831.11     | 831.11     | 831.11     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22067    | 0.22067    | 0.22067    |   0.0 |  0.03
Output  | 0.00023201 | 0.00023201 | 0.00023201 |   0.0 |  0.00
Modify  | 1.1892     | 1.1892     | 1.1892     |   0.0 |  0.14
Other   |            | 0.1787     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191924
Ave neighs/atom = 273.99050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.109799871077, Press = -3.70896245466324
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -58075.992   -58075.992   -58416.682   -58416.682    329.50266    329.50266    45722.932    45722.932   -2299.7904   -2299.7904 
   18000   -58066.545   -58066.545   -58417.208   -58417.208    339.14851    339.14851    45678.051    45678.051    2128.4759    2128.4759 
Loop time of 846.766 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.102 ns/day, 235.213 hours/ns, 1.181 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 845.15     | 845.15     | 845.15     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22322    | 0.22322    | 0.22322    |   0.0 |  0.03
Output  | 0.00022026 | 0.00022026 | 0.00022026 |   0.0 |  0.00
Modify  | 1.2144     | 1.2144     | 1.2144     |   0.0 |  0.14
Other   |            | 0.1812     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19190e+06 ave  2.1919e+06 max  2.1919e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191898
Ave neighs/atom = 273.98725
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.001921680823, Press = -2.4764460073015
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -58066.545   -58066.545   -58417.208   -58417.208    339.14851    339.14851    45678.051    45678.051    2128.4759    2128.4759 
   19000   -58077.676   -58077.676   -58418.368   -58418.368    329.50431    329.50431    45696.794    45696.794    17.654867    17.654867 
Loop time of 816.487 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.106 ns/day, 226.802 hours/ns, 1.225 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 814.93     | 814.93     | 814.93     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21869    | 0.21869    | 0.21869    |   0.0 |  0.03
Output  | 0.00022    | 0.00022    | 0.00022    |   0.0 |  0.00
Modify  | 1.1611     | 1.1611     | 1.1611     |   0.0 |  0.14
Other   |            | 0.174      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191918
Ave neighs/atom = 273.98975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.942932068656, Press = 4.57845577787726
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -58077.676   -58077.676   -58418.368   -58418.368    329.50431    329.50431    45696.794    45696.794    17.654867    17.654867 
   20000   -58069.586   -58069.586   -58415.798   -58415.798    334.84385    334.84385    45734.947    45734.947   -3307.3852   -3307.3852 
Loop time of 815.955 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.106 ns/day, 226.654 hours/ns, 1.226 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 814.38     | 814.38     | 814.38     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21699    | 0.21699    | 0.21699    |   0.0 |  0.03
Output  | 0.00022145 | 0.00022145 | 0.00022145 |   0.0 |  0.00
Modify  | 1.1745     | 1.1745     | 1.1745     |   0.0 |  0.14
Other   |            | 0.1784     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191916
Ave neighs/atom = 273.98950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.951590765058, Press = -4.08071345910588
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -58069.586   -58069.586   -58415.798   -58415.798    334.84385    334.84385    45734.947    45734.947   -3307.3852   -3307.3852 
   21000    -58071.55    -58071.55   -58417.198   -58417.198    334.29762    334.29762    45658.814    45658.814    3727.0524    3727.0524 
Loop time of 700.891 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.123 ns/day, 194.692 hours/ns, 1.427 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    | 699.52     | 699.52     | 699.52     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.18615    | 0.18615    | 0.18615    |   0.0 |  0.03
Output  | 0.00012017 | 0.00012017 | 0.00012017 |   0.0 |  0.00
Modify  | 1.0269     | 1.0269     | 1.0269     |   0.0 |  0.15
Other   |            | 0.1626     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19188e+06 ave 2.19188e+06 max 2.19188e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191880
Ave neighs/atom = 273.98500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.994187218857, Press = -3.19706434396463
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000    -58071.55    -58071.55   -58417.198   -58417.198    334.29762    334.29762    45658.814    45658.814    3727.0524    3727.0524 
   22000   -58076.017   -58076.017   -58417.349   -58417.349    330.12337    330.12337    45695.688    45695.688    137.66349    137.66349 
Loop time of 439.578 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.197 ns/day, 122.105 hours/ns, 2.275 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 438.7      | 438.7      | 438.7      |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11612    | 0.11612    | 0.11612    |   0.0 |  0.03
Output  | 0.00022156 | 0.00022156 | 0.00022156 |   0.0 |  0.00
Modify  | 0.65811    | 0.65811    | 0.65811    |   0.0 |  0.15
Other   |            | 0.1019     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19191e+06 ave 2.19191e+06 max 2.19191e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191912
Ave neighs/atom = 273.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.05827366962, Press = 3.70841367021336
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -58076.017   -58076.017   -58417.349   -58417.349    330.12337    330.12337    45695.688    45695.688    137.66349    137.66349 
   23000   -58065.071   -58065.071   -58413.506   -58413.506    336.99255    336.99255    45717.173    45717.173   -1403.2989   -1403.2989 
Loop time of 439.987 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.196 ns/day, 122.219 hours/ns, 2.273 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    | 439.11     | 439.11     | 439.11     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11571    | 0.11571    | 0.11571    |   0.0 |  0.03
Output  | 0.00014491 | 0.00014491 | 0.00014491 |   0.0 |  0.00
Modify  | 0.65944    | 0.65944    | 0.65944    |   0.0 |  0.15
Other   |            | 0.1026     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19189e+06 ave 2.19189e+06 max 2.19189e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191886
Ave neighs/atom = 273.98575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.050232163676, Press = -1.44412667912636
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -58065.071   -58065.071   -58413.506   -58413.506    336.99255    336.99255    45717.173    45717.173   -1403.2989   -1403.2989 
   24000   -58072.724   -58072.724   -58414.819   -58414.819    330.86199    330.86199    45687.446    45687.446    1064.6044    1064.6044 
Loop time of 449.839 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.192 ns/day, 124.955 hours/ns, 2.223 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 448.95     | 448.95     | 448.95     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12095    | 0.12095    | 0.12095    |   0.0 |  0.03
Output  | 0.00014259 | 0.00014259 | 0.00014259 |   0.0 |  0.00
Modify  | 0.66084    | 0.66084    | 0.66084    |   0.0 |  0.15
Other   |            | 0.106      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19190e+06 ave  2.1919e+06 max  2.1919e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191902
Ave neighs/atom = 273.98775
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.003830410723, Press = -0.888410074855786
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -58072.724   -58072.724   -58414.819   -58414.819    330.86199    330.86199    45687.446    45687.446    1064.6044    1064.6044 
   25000   -58068.227   -58068.227   -58411.335   -58411.335    331.84175    331.84175    45698.743    45698.743    263.08156    263.08156 
Loop time of 413.785 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.209 ns/day, 114.940 hours/ns, 2.417 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 412.97     | 412.97     | 412.97     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11036    | 0.11036    | 0.11036    |   0.0 |  0.03
Output  | 0.00012707 | 0.00012707 | 0.00012707 |   0.0 |  0.00
Modify  | 0.60419    | 0.60419    | 0.60419    |   0.0 |  0.15
Other   |            | 0.09553    |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19191e+06 ave 2.19191e+06 max 2.19191e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191912
Ave neighs/atom = 273.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.974095930427, Press = 2.16480288668602
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -58068.227   -58068.227   -58411.335   -58411.335    331.84175    331.84175    45698.743    45698.743    263.08156    263.08156 
   26000   -58072.157   -58072.157   -58414.017   -58414.017    330.63429    330.63429    45756.603    45756.603   -5224.4368   -5224.4368 
Loop time of 428.658 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.202 ns/day, 119.072 hours/ns, 2.333 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 427.81     | 427.81     | 427.81     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11475    | 0.11475    | 0.11475    |   0.0 |  0.03
Output  | 0.00014012 | 0.00014012 | 0.00014012 |   0.0 |  0.00
Modify  | 0.63173    | 0.63173    | 0.63173    |   0.0 |  0.15
Other   |            | 0.1001     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191932
Ave neighs/atom = 273.99150
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.902429865197, Press = -3.02692121528857
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -58072.157   -58072.157   -58414.017   -58414.017    330.63429    330.63429    45756.603    45756.603   -5224.4368   -5224.4368 
   27000    -58072.84    -58072.84   -58416.786   -58416.786    332.65202    332.65202     45668.17     45668.17    2918.2596    2918.2596 
Loop time of 429.533 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.201 ns/day, 119.315 hours/ns, 2.328 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 428.68     | 428.68     | 428.68     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11464    | 0.11464    | 0.11464    |   0.0 |  0.03
Output  | 0.0001266  | 0.0001266  | 0.0001266  |   0.0 |  0.00
Modify  | 0.63774    | 0.63774    | 0.63774    |   0.0 |  0.15
Other   |            | 0.09961    |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19183e+06 ave 2.19183e+06 max 2.19183e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191832
Ave neighs/atom = 273.97900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.905181397488, Press = -2.79550605357645
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000    -58072.84    -58072.84   -58416.786   -58416.786    332.65202    332.65202     45668.17     45668.17    2918.2596    2918.2596 
   28000   -58071.226   -58071.226   -58417.053   -58417.053    334.47145    334.47145    45696.117    45696.117     246.9882     246.9882 
Loop time of 428.11 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.202 ns/day, 118.919 hours/ns, 2.336 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 427.27     | 427.27     | 427.27     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11352    | 0.11352    | 0.11352    |   0.0 |  0.03
Output  | 0.00014097 | 0.00014097 | 0.00014097 |   0.0 |  0.00
Modify  | 0.6313     | 0.6313     | 0.6313     |   0.0 |  0.15
Other   |            | 0.09857    |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191922
Ave neighs/atom = 273.99025
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.841805747401, Press = 2.33945262738634
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -58071.226   -58071.226   -58417.053   -58417.053    334.47145    334.47145    45696.117    45696.117     246.9882     246.9882 
   29000    -58072.16    -58072.16   -58417.372   -58417.372    333.87655    333.87655    45717.818    45717.818    -1684.465    -1684.465 
Loop time of 444.747 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.194 ns/day, 123.541 hours/ns, 2.248 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 443.86     | 443.86     | 443.86     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11755    | 0.11755    | 0.11755    |   0.0 |  0.03
Output  | 0.00013055 | 0.00013055 | 0.00013055 |   0.0 |  0.00
Modify  | 0.66573    | 0.66573    | 0.66573    |   0.0 |  0.15
Other   |            | 0.1031     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19190e+06 ave  2.1919e+06 max  2.1919e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191900
Ave neighs/atom = 273.98750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.858357668512, Press = -1.08274372224571
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000    -58072.16    -58072.16   -58417.372   -58417.372    333.87655    333.87655    45717.818    45717.818    -1684.465    -1684.465 
   30000   -58067.223   -58067.223   -58416.998   -58416.998    338.28865    338.28865    45684.158    45684.158    1579.6121    1579.6121 
Loop time of 426.309 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.203 ns/day, 118.419 hours/ns, 2.346 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 425.47     | 425.47     | 425.47     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11403    | 0.11403    | 0.11403    |   0.0 |  0.03
Output  | 0.00012575 | 0.00012575 | 0.00012575 |   0.0 |  0.00
Modify  | 0.62883    | 0.62883    | 0.62883    |   0.0 |  0.15
Other   |            | 0.09893    |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19188e+06 ave 2.19188e+06 max 2.19188e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191884
Ave neighs/atom = 273.98550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.850236128212, Press = -1.24575715946723
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -58067.223   -58067.223   -58416.998   -58416.998    338.28865    338.28865    45684.158    45684.158    1579.6121    1579.6121 
   31000   -58078.549   -58078.549    -58418.29    -58418.29    328.58514    328.58514    45689.636    45689.636     603.3576     603.3576 
Loop time of 431.06 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.200 ns/day, 119.739 hours/ns, 2.320 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 430.21     | 430.21     | 430.21     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11516    | 0.11516    | 0.11516    |   0.0 |  0.03
Output  | 0.00013118 | 0.00013118 | 0.00013118 |   0.0 |  0.00
Modify  | 0.63868    | 0.63868    | 0.63868    |   0.0 |  0.15
Other   |            | 0.09979    |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191940
Ave neighs/atom = 273.99250
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.830555043555, Press = 4.73438170766956
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -58078.549   -58078.549    -58418.29    -58418.29    328.58514    328.58514    45689.636    45689.636     603.3576     603.3576 
   32000   -58068.376   -58068.376   -58414.937   -58414.937    335.18153    335.18153    45748.699    45748.699   -4410.6439   -4410.6439 
Loop time of 423.456 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.204 ns/day, 117.627 hours/ns, 2.362 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 422.62     | 422.62     | 422.62     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11337    | 0.11337    | 0.11337    |   0.0 |  0.03
Output  | 0.00012709 | 0.00012709 | 0.00012709 |   0.0 |  0.00
Modify  | 0.62609    | 0.62609    | 0.62609    |   0.0 |  0.15
Other   |            | 0.09817    |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19191e+06 ave 2.19191e+06 max 2.19191e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191912
Ave neighs/atom = 273.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.813218629625, Press = -1.85989783816114
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -58068.376   -58068.376   -58414.937   -58414.937    335.18153    335.18153    45748.699    45748.699   -4410.6439   -4410.6439 
   33000   -58073.036   -58073.036   -58418.994   -58418.994     334.5975     334.5975      45678.4      45678.4    1781.3514    1781.3514 
Loop time of 428.372 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.202 ns/day, 118.992 hours/ns, 2.334 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 427.53     | 427.53     | 427.53     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11364    | 0.11364    | 0.11364    |   0.0 |  0.03
Output  | 0.00012758 | 0.00012758 | 0.00012758 |   0.0 |  0.00
Modify  | 0.63399    | 0.63399    | 0.63399    |   0.0 |  0.15
Other   |            | 0.099      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19189e+06 ave 2.19189e+06 max 2.19189e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191886
Ave neighs/atom = 273.98575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.868739422509, Press = -1.5825117331398
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -58073.036   -58073.036   -58418.994   -58418.994     334.5975     334.5975      45678.4      45678.4    1781.3514    1781.3514 
   34000   -58063.668   -58063.668   -58412.355   -58412.355    337.23722    337.23722    45696.516    45696.516    550.90897    550.90897 
Loop time of 452.909 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.191 ns/day, 125.808 hours/ns, 2.208 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 452        | 452        | 452        |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1213     | 0.1213     | 0.1213     |   0.0 |  0.03
Output  | 0.00013311 | 0.00013311 | 0.00013311 |   0.0 |  0.00
Modify  | 0.6794     | 0.6794     | 0.6794     |   0.0 |  0.15
Other   |            | 0.1072     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19190e+06 ave  2.1919e+06 max  2.1919e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191904
Ave neighs/atom = 273.98800
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.913184267205, Press = 1.84808844487308
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -58063.668   -58063.668   -58412.355   -58412.355    337.23722    337.23722    45696.516    45696.516    550.90897    550.90897 
   35000   -58074.389   -58074.389   -58416.713   -58416.713    331.08321    331.08321    45722.807    45722.807   -2377.5975   -2377.5975 
Loop time of 446.062 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.194 ns/day, 123.906 hours/ns, 2.242 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 445.17     | 445.17     | 445.17     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11859    | 0.11859    | 0.11859    |   0.0 |  0.03
Output  | 0.00013204 | 0.00013204 | 0.00013204 |   0.0 |  0.00
Modify  | 0.67307    | 0.67307    | 0.67307    |   0.0 |  0.15
Other   |            | 0.104      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19189e+06 ave 2.19189e+06 max 2.19189e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191886
Ave neighs/atom = 273.98575
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.950127464811, Press = -0.720591228405643
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -58074.389   -58074.389   -58416.713   -58416.713    331.08321    331.08321    45722.807    45722.807   -2377.5975   -2377.5975 
   36000   -58069.283   -58069.283   -58411.823   -58411.823    331.29276    331.29276    45675.848    45675.848    2463.3498    2463.3498 
Loop time of 444.096 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.195 ns/day, 123.360 hours/ns, 2.252 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 443.21     | 443.21     | 443.21     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11814    | 0.11814    | 0.11814    |   0.0 |  0.03
Output  | 0.00014244 | 0.00014244 | 0.00014244 |   0.0 |  0.00
Modify  | 0.66845    | 0.66845    | 0.66845    |   0.0 |  0.15
Other   |            | 0.1045     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19189e+06 ave 2.19189e+06 max 2.19189e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191888
Ave neighs/atom = 273.98600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.964669965559, Press = -1.78723741902127
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -58069.283   -58069.283   -58411.823   -58411.823    331.29276    331.29276    45675.848    45675.848    2463.3498    2463.3498 
   37000   -58071.225   -58071.225    -58413.95    -58413.95     331.4712     331.4712    45671.254    45671.254    2715.6308    2715.6308 
Loop time of 450.613 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.192 ns/day, 125.170 hours/ns, 2.219 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 449.7      | 449.7      | 449.7      |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11975    | 0.11975    | 0.11975    |   0.0 |  0.03
Output  | 0.00014245 | 0.00014245 | 0.00014245 |   0.0 |  0.00
Modify  | 0.68646    | 0.68646    | 0.68646    |   0.0 |  0.15
Other   |            | 0.1063     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191920
Ave neighs/atom = 273.99000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.978973527468, Press = 6.13892156142107
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -58071.225   -58071.225    -58413.95    -58413.95     331.4712     331.4712    45671.254    45671.254    2715.6308    2715.6308 
   38000   -58067.451   -58067.451   -58414.028   -58414.028    335.19653    335.19653    45739.746    45739.746   -3717.2782   -3717.2782 
Loop time of 440.127 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.196 ns/day, 122.257 hours/ns, 2.272 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 439.25     | 439.25     | 439.25     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11537    | 0.11537    | 0.11537    |   0.0 |  0.03
Output  | 0.00013191 | 0.00013191 | 0.00013191 |   0.0 |  0.00
Modify  | 0.65889    | 0.65889    | 0.65889    |   0.0 |  0.15
Other   |            | 0.1005     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191928
Ave neighs/atom = 273.99100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.941830109526, Press = -0.549360568528807
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -58067.451   -58067.451   -58414.028   -58414.028    335.19653    335.19653    45739.746    45739.746   -3717.2782   -3717.2782 
   39000   -58072.286   -58072.286   -58414.634   -58414.634     331.1058     331.1058    45680.077    45680.077    1849.2007    1849.2007 
Loop time of 427.024 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.202 ns/day, 118.618 hours/ns, 2.342 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 426.18     | 426.18     | 426.18     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11346    | 0.11346    | 0.11346    |   0.0 |  0.03
Output  | 0.00012646 | 0.00012646 | 0.00012646 |   0.0 |  0.00
Modify  | 0.63168    | 0.63168    | 0.63168    |   0.0 |  0.15
Other   |            | 0.099      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19188e+06 ave 2.19188e+06 max 2.19188e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191878
Ave neighs/atom = 273.98475
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.952160081056, Press = -1.00487680342332
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -58072.286   -58072.286   -58414.634   -58414.634     331.1058     331.1058    45680.077    45680.077    1849.2007    1849.2007 
   40000   -58063.602   -58063.602   -58411.124   -58411.124    336.11071    336.11071    45698.413    45698.413    483.17889    483.17889 
Loop time of 425.636 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.203 ns/day, 118.232 hours/ns, 2.349 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 424.79     | 424.79     | 424.79     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11449    | 0.11449    | 0.11449    |   0.0 |  0.03
Output  | 0.00013605 | 0.00013605 | 0.00013605 |   0.0 |  0.00
Modify  | 0.62889    | 0.62889    | 0.62889    |   0.0 |  0.15
Other   |            | 0.09888    |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19188e+06 ave 2.19188e+06 max 2.19188e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191884
Ave neighs/atom = 273.98550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.966319522519, Press = 1.60715020175676
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -58063.602   -58063.602   -58411.124   -58411.124    336.11071    336.11071    45698.413    45698.413    483.17889    483.17889 
   41000   -58072.681   -58072.681   -58414.802   -58414.802    330.88676    330.88676    45723.522    45723.522    -2207.924    -2207.924 
Loop time of 418.595 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.206 ns/day, 116.276 hours/ns, 2.389 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 417.77     | 417.77     | 417.77     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11231    | 0.11231    | 0.11231    |   0.0 |  0.03
Output  | 0.00013433 | 0.00013433 | 0.00013433 |   0.0 |  0.00
Modify  | 0.61587    | 0.61587    | 0.61587    |   0.0 |  0.15
Other   |            | 0.09777    |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19188e+06 ave 2.19188e+06 max 2.19188e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191884
Ave neighs/atom = 273.98550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.970879879671, Press = -0.542805140315649
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -58072.681   -58072.681   -58414.802   -58414.802    330.88676    330.88676    45723.522    45723.522    -2207.924    -2207.924 
   42000   -58067.912   -58067.912   -58413.729   -58413.729    334.46174    334.46174    45668.011    45668.011     3122.419     3122.419 
Loop time of 407.043 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.212 ns/day, 113.068 hours/ns, 2.457 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 406.25     | 406.25     | 406.25     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10877    | 0.10877    | 0.10877    |   0.0 |  0.03
Output  | 0.00012525 | 0.00012525 | 0.00012525 |   0.0 |  0.00
Modify  | 0.59004    | 0.59004    | 0.59004    |   0.0 |  0.14
Other   |            | 0.09377    |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19188e+06 ave 2.19188e+06 max 2.19188e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191882
Ave neighs/atom = 273.98525
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.985423089817, Press = -1.77979072202259
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -58067.912   -58067.912   -58413.729   -58413.729    334.46174    334.46174    45668.011    45668.011     3122.419     3122.419 
   43000   -58075.175   -58075.175   -58423.333   -58423.333    336.72558    336.72558    45682.695    45682.695    1175.8828    1175.8828 
Loop time of 471.582 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.183 ns/day, 130.995 hours/ns, 2.121 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 470.66     | 470.66     | 470.66     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12574    | 0.12574    | 0.12574    |   0.0 |  0.03
Output  | 0.0002379  | 0.0002379  | 0.0002379  |   0.0 |  0.00
Modify  | 0.68936    | 0.68936    | 0.68936    |   0.0 |  0.15
Other   |            | 0.1092     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191934
Ave neighs/atom = 273.99175
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.983329937698, Press = 3.55708654536909
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -58075.175   -58075.175   -58423.333   -58423.333    336.72558    336.72558    45682.695    45682.695    1175.8828    1175.8828 
   44000   -58074.251   -58074.251   -58415.302   -58415.302    329.85199    329.85199    45724.118    45724.118   -2191.0815   -2191.0815 
Loop time of 823.035 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.105 ns/day, 228.621 hours/ns, 1.215 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 821.47     | 821.47     | 821.47     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21704    | 0.21704    | 0.21704    |   0.0 |  0.03
Output  | 0.00033003 | 0.00033003 | 0.00033003 |   0.0 |  0.00
Modify  | 1.1785     | 1.1785     | 1.1785     |   0.0 |  0.14
Other   |            | 0.1717     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191924
Ave neighs/atom = 273.99050
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.974933382406, Press = -0.302346988308277
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -58074.251   -58074.251   -58415.302   -58415.302    329.85199    329.85199    45724.118    45724.118   -2191.0815   -2191.0815 
   45000   -58069.596   -58069.596   -58416.037   -58416.037     335.0649     335.0649    45687.025    45687.025    1291.8263    1291.8263 
Loop time of 824.162 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.105 ns/day, 228.934 hours/ns, 1.213 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 822.57     | 822.57     | 822.57     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21635    | 0.21635    | 0.21635    |   0.0 |  0.03
Output  | 0.00015164 | 0.00015164 | 0.00015164 |   0.0 |  0.00
Modify  | 1.196      | 1.196      | 1.196      |   0.0 |  0.15
Other   |            | 0.1767     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19189e+06 ave 2.19189e+06 max 2.19189e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191888
Ave neighs/atom = 273.98600
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.943868197338, Press = -0.637643726573261
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -58069.596   -58069.596   -58416.037   -58416.037     335.0649     335.0649    45687.025    45687.025    1291.8263    1291.8263 
   46000    -58071.45    -58071.45   -58415.139   -58415.139    332.40305    332.40305    45692.415    45692.415    773.43233    773.43233 
Loop time of 831.609 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.104 ns/day, 231.002 hours/ns, 1.202 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 830.01     | 830.01     | 830.01     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23124    | 0.23124    | 0.23124    |   0.0 |  0.03
Output  | 0.00023609 | 0.00023609 | 0.00023609 |   0.0 |  0.00
Modify  | 1.1943     | 1.1943     | 1.1943     |   0.0 |  0.14
Other   |            | 0.177      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19190e+06 ave  2.1919e+06 max  2.1919e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191898
Ave neighs/atom = 273.98725
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.953686293173, Press = 1.35440738980983
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000    -58071.45    -58071.45   -58415.139   -58415.139    332.40305    332.40305    45692.415    45692.415    773.43233    773.43233 
   47000   -58073.341   -58073.341   -58413.064   -58413.064    328.56749    328.56749     45732.21     45732.21   -2944.0478   -2944.0478 
Loop time of 825.141 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.105 ns/day, 229.206 hours/ns, 1.212 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 823.57     | 823.57     | 823.57     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21795    | 0.21795    | 0.21795    |   0.0 |  0.03
Output  | 0.00020733 | 0.00020733 | 0.00020733 |   0.0 |  0.00
Modify  | 1.1757     | 1.1757     | 1.1757     |   0.0 |  0.14
Other   |            | 0.1724     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19189e+06 ave 2.19189e+06 max 2.19189e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191890
Ave neighs/atom = 273.98625
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.92072498545, Press = -0.524619064460639
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -58073.341   -58073.341   -58413.064   -58413.064    328.56749    328.56749     45732.21     45732.21   -2944.0478   -2944.0478 
   48000   -58070.795   -58070.795   -58418.053   -58418.053    335.85518    335.85518     45657.23     45657.23    3855.5219    3855.5219 
Loop time of 496.068 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.174 ns/day, 137.797 hours/ns, 2.016 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 495.09     | 495.09     | 495.09     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13365    | 0.13365    | 0.13365    |   0.0 |  0.03
Output  | 0.00013617 | 0.00013617 | 0.00013617 |   0.0 |  0.00
Modify  | 0.72418    | 0.72418    | 0.72418    |   0.0 |  0.15
Other   |            | 0.1162     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19188e+06 ave 2.19188e+06 max 2.19188e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191880
Ave neighs/atom = 273.98500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.913716491317, Press = -1.96886255878171
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -58070.795   -58070.795   -58418.053   -58418.053    335.85518    335.85518     45657.23     45657.23    3855.5219    3855.5219 
   49000   -58068.846   -58068.846   -58417.429   -58417.429    337.13592    337.13592    45692.155    45692.155    688.50298    688.50298 
Loop time of 395.795 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.218 ns/day, 109.943 hours/ns, 2.527 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 395.02     | 395.02     | 395.02     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10722    | 0.10722    | 0.10722    |   0.0 |  0.03
Output  | 0.00020024 | 0.00020024 | 0.00020024 |   0.0 |  0.00
Modify  | 0.57417    | 0.57417    | 0.57417    |   0.0 |  0.15
Other   |            | 0.09088    |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191926
Ave neighs/atom = 273.99075
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.9089829329, Press = 1.83619609612902
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -58068.846   -58068.846   -58417.429   -58417.429    337.13592    337.13592    45692.155    45692.155    688.50298    688.50298 
   50000     -58074.2     -58074.2   -58412.376   -58412.376    327.07069    327.07069    45714.329    45714.329   -1258.5301   -1258.5301 
Loop time of 523.92 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.165 ns/day, 145.533 hours/ns, 1.909 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    | 522.87     | 522.87     | 522.87     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14124    | 0.14124    | 0.14124    |   0.0 |  0.03
Output  | 0.00012745 | 0.00012745 | 0.00012745 |   0.0 |  0.00
Modify  | 0.7712     | 0.7712     | 0.7712     |   0.0 |  0.15
Other   |            | 0.1367     |            |       |  0.03

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191928
Ave neighs/atom = 273.99100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.91731558188, Press = -0.118837961879852
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000     -58074.2     -58074.2   -58412.376   -58412.376    327.07069    327.07069    45714.329    45714.329   -1258.5301   -1258.5301 
   51000   -58067.595   -58067.595   -58408.945   -58408.945      330.141      330.141    45688.437    45688.437    1367.0125    1367.0125 
Loop time of 394.099 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.219 ns/day, 109.472 hours/ns, 2.537 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 393.34     | 393.34     | 393.34     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10388    | 0.10388    | 0.10388    |   0.0 |  0.03
Output  | 0.00013552 | 0.00013552 | 0.00013552 |   0.0 |  0.00
Modify  | 0.56405    | 0.56405    | 0.56405    |   0.0 |  0.14
Other   |            | 0.0921     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19187e+06 ave 2.19187e+06 max 2.19187e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191872
Ave neighs/atom = 273.98400
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.888037706176, Press = -0.481961403745913
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -58067.595   -58067.595   -58408.945   -58408.945      330.141      330.141    45688.437    45688.437    1367.0125    1367.0125 
   52000   -58074.446   -58074.446   -58419.078   -58419.078    333.31526    333.31526      45689.9      45689.9    557.97196    557.97196 
Loop time of 430.587 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.201 ns/day, 119.607 hours/ns, 2.322 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 429.75     | 429.75     | 429.75     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11366    | 0.11366    | 0.11366    |   0.0 |  0.03
Output  | 0.00024971 | 0.00024971 | 0.00024971 |   0.0 |  0.00
Modify  | 0.62302    | 0.62302    | 0.62302    |   0.0 |  0.14
Other   |            | 0.1006     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191928
Ave neighs/atom = 273.99100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.882988856687, Press = 1.69220744171798
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -58074.446   -58074.446   -58419.078   -58419.078    333.31526    333.31526      45689.9      45689.9    557.97196    557.97196 
   53000   -58064.204   -58064.204   -58408.155   -58408.155    332.65705    332.65705     45756.33     45756.33   -4840.3024   -4840.3024 
Loop time of 441.341 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.196 ns/day, 122.595 hours/ns, 2.266 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 440.49     | 440.49     | 440.49     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11512    | 0.11512    | 0.11512    |   0.0 |  0.03
Output  | 0.00012704 | 0.00012704 | 0.00012704 |   0.0 |  0.00
Modify  | 0.63395    | 0.63395    | 0.63395    |   0.0 |  0.14
Other   |            | 0.1014     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191918
Ave neighs/atom = 273.98975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.898904036647, Press = -0.831139735303341
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -58064.204   -58064.204   -58408.155   -58408.155    332.65705    332.65705     45756.33     45756.33   -4840.3024   -4840.3024 
   54000   -58070.329   -58070.329   -58412.231   -58412.231    330.67538    330.67538    45674.552    45674.552    2540.2513    2540.2513 
Loop time of 593.428 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.146 ns/day, 164.841 hours/ns, 1.685 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 592.28     | 592.28     | 592.28     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.15678    | 0.15678    | 0.15678    |   0.0 |  0.03
Output  | 0.00022625 | 0.00022625 | 0.00022625 |   0.0 |  0.00
Modify  | 0.85537    | 0.85537    | 0.85537    |   0.0 |  0.14
Other   |            | 0.1338     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19184e+06 ave 2.19184e+06 max 2.19184e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191840
Ave neighs/atom = 273.98000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.920000341441, Press = -1.11234645514743
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -58070.329   -58070.329   -58412.231   -58412.231    330.67538    330.67538    45674.552    45674.552    2540.2513    2540.2513 
   55000   -58067.615   -58067.615   -58414.337   -58414.337    335.33695    335.33695    45695.738    45695.738    416.51047    416.51047 
Loop time of 773.13 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.112 ns/day, 214.758 hours/ns, 1.293 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 771.65     | 771.65     | 771.65     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.20791    | 0.20791    | 0.20791    |   0.0 |  0.03
Output  | 0.00033041 | 0.00033041 | 0.00033041 |   0.0 |  0.00
Modify  | 1.1013     | 1.1013     | 1.1013     |   0.0 |  0.14
Other   |            | 0.1671     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191918
Ave neighs/atom = 273.98975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.953187523475, Press = 0.775998513391404
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -58067.615   -58067.615   -58414.337   -58414.337    335.33695    335.33695    45695.738    45695.738    416.51047    416.51047 
   56000   -58075.398   -58075.398   -58420.472   -58420.472    333.74251    333.74251    45712.166    45712.166   -1516.5227   -1516.5227 
Loop time of 793.283 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.109 ns/day, 220.356 hours/ns, 1.261 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 791.76     | 791.76     | 791.76     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21157    | 0.21157    | 0.21157    |   0.0 |  0.03
Output  | 0.0002793  | 0.0002793  | 0.0002793  |   0.0 |  0.00
Modify  | 1.1371     | 1.1371     | 1.1371     |   0.0 |  0.14
Other   |            | 0.1728     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191918
Ave neighs/atom = 273.98975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.945908252084, Press = -0.0143872756085217
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -58075.398   -58075.398   -58420.472   -58420.472    333.74251    333.74251    45712.166    45712.166   -1516.5227   -1516.5227 
   57000   -58074.307   -58074.307   -58418.704   -58418.704    333.08775    333.08775    45687.433    45687.433    1013.9001    1013.9001 
Loop time of 739.571 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.117 ns/day, 205.436 hours/ns, 1.352 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 738.15     | 738.15     | 738.15     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.19905    | 0.19905    | 0.19905    |   0.0 |  0.03
Output  | 0.00029128 | 0.00029128 | 0.00029128 |   0.0 |  0.00
Modify  | 1.0582     | 1.0582     | 1.0582     |   0.0 |  0.14
Other   |            | 0.1637     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19190e+06 ave  2.1919e+06 max  2.1919e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191896
Ave neighs/atom = 273.98700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.949395562759, Press = -0.730854546644981
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -58074.307   -58074.307   -58418.704   -58418.704    333.08775    333.08775    45687.433    45687.433    1013.9001    1013.9001 
   58000   -58072.251   -58072.251    -58417.58    -58417.58    333.99007    333.99007    45675.762    45675.762    2229.8378    2229.8378 
Loop time of 529.736 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.163 ns/day, 147.149 hours/ns, 1.888 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    | 528.69     | 528.69     | 528.69     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1436     | 0.1436     | 0.1436     |   0.0 |  0.03
Output  | 0.00012858 | 0.00012858 | 0.00012858 |   0.0 |  0.00
Modify  | 0.77259    | 0.77259    | 0.77259    |   0.0 |  0.15
Other   |            | 0.1317     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191916
Ave neighs/atom = 273.98950
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.917215195532, Press = 1.7463945196918
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -58072.251   -58072.251    -58417.58    -58417.58    333.99007    333.99007    45675.762    45675.762    2229.8378    2229.8378 
   59000   -58073.417   -58073.417   -58415.257   -58415.257    330.61481    330.61481    45745.674    45745.674   -4333.2059   -4333.2059 
Loop time of 401.046 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.215 ns/day, 111.402 hours/ns, 2.493 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 400.26     | 400.26     | 400.26     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10975    | 0.10975    | 0.10975    |   0.0 |  0.03
Output  | 0.00019057 | 0.00019057 | 0.00019057 |   0.0 |  0.00
Modify  | 0.58113    | 0.58113    | 0.58113    |   0.0 |  0.14
Other   |            | 0.0952     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191950
Ave neighs/atom = 273.99375
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.919075086772, Press = 0.0145092253651615
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -58073.417   -58073.417   -58415.257   -58415.257    330.61481    330.61481    45745.674    45745.674   -4333.2059   -4333.2059 
   60000   -58067.851   -58067.851   -58409.534   -58409.534     330.4627     330.4627    45687.843    45687.843    1437.5377    1437.5377 
Loop time of 392.927 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.220 ns/day, 109.147 hours/ns, 2.545 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 392.16     | 392.16     | 392.16     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10734    | 0.10734    | 0.10734    |   0.0 |  0.03
Output  | 0.00012398 | 0.00012398 | 0.00012398 |   0.0 |  0.00
Modify  | 0.56892    | 0.56892    | 0.56892    |   0.0 |  0.14
Other   |            | 0.09314    |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19190e+06 ave  2.1919e+06 max  2.1919e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191898
Ave neighs/atom = 273.98725
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.891204576075, Press = -0.991674684416458
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -58067.851   -58067.851   -58409.534   -58409.534     330.4627     330.4627    45687.843    45687.843    1437.5377    1437.5377 
   61000   -58073.604   -58073.604   -58413.922   -58413.922    329.14248    329.14248    45679.387    45679.387    1718.6095    1718.6095 
Loop time of 397.715 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.217 ns/day, 110.476 hours/ns, 2.514 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 396.94     | 396.94     | 396.94     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10775    | 0.10775    | 0.10775    |   0.0 |  0.03
Output  | 0.00012593 | 0.00012593 | 0.00012593 |   0.0 |  0.00
Modify  | 0.5725     | 0.5725     | 0.5725     |   0.0 |  0.14
Other   |            | 0.09356    |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19190e+06 ave  2.1919e+06 max  2.1919e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191896
Ave neighs/atom = 273.98700
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.896257062136, Press = 1.24546910348682
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -58073.604   -58073.604   -58413.922   -58413.922    329.14248    329.14248    45679.387    45679.387    1718.6095    1718.6095 
   62000   -58065.986   -58065.986   -58411.111   -58411.111    333.79119    333.79119    45732.912    45732.912   -2731.4423   -2731.4423 
Loop time of 403.528 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.214 ns/day, 112.091 hours/ns, 2.478 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 402.75     | 402.75     | 402.75     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10889    | 0.10889    | 0.10889    |   0.0 |  0.03
Output  | 0.00012696 | 0.00012696 | 0.00012696 |   0.0 |  0.00
Modify  | 0.57961    | 0.57961    | 0.57961    |   0.0 |  0.14
Other   |            | 0.09383    |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19192e+06 ave 2.19192e+06 max 2.19192e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191918
Ave neighs/atom = 273.98975
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.896536465299, Press = 0.260453500856604
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -58065.986   -58065.986   -58411.111   -58411.111    333.79119    333.79119    45732.912    45732.912   -2731.4423   -2731.4423 
   63000   -58073.028   -58073.028   -58412.935   -58412.935    328.74556    328.74556    45689.961    45689.961    1054.3383    1054.3383 
Loop time of 410.032 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.211 ns/day, 113.898 hours/ns, 2.439 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 409.24     | 409.24     | 409.24     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11096    | 0.11096    | 0.11096    |   0.0 |  0.03
Output  | 0.00023169 | 0.00023169 | 0.00023169 |   0.0 |  0.00
Modify  | 0.58696    | 0.58696    | 0.58696    |   0.0 |  0.14
Other   |            | 0.09524    |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19186e+06 ave 2.19186e+06 max 2.19186e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191858
Ave neighs/atom = 273.98225
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.889099911123, Press = -0.952987142849203
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -58073.028   -58073.028   -58412.935   -58412.935    328.74556    328.74556    45689.961    45689.961    1054.3383    1054.3383 
   64000   -58069.666   -58069.666   -58417.978   -58417.978    336.87475    336.87475    45674.867    45674.867    2427.0279    2427.0279 
Loop time of 673.848 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.128 ns/day, 187.180 hours/ns, 1.484 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 672.53     | 672.53     | 672.53     |   0.0 | 99.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.18034    | 0.18034    | 0.18034    |   0.0 |  0.03
Output  | 0.00022283 | 0.00022283 | 0.00022283 |   0.0 |  0.00
Modify  | 0.97954    | 0.97954    | 0.97954    |   0.0 |  0.15
Other   |            | 0.1574     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191928
Ave neighs/atom = 273.99100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.881305197966, Press = 1.13359952790922
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -58069.666   -58069.666   -58417.978   -58417.978    336.87475    336.87475    45674.867    45674.867    2427.0279    2427.0279 
   65000   -58066.236   -58066.236   -58408.118   -58408.118    330.65578    330.65578    45737.292    45737.292   -3145.3912   -3145.3912 
Loop time of 811.444 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.106 ns/day, 225.401 hours/ns, 1.232 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 809.92     | 809.92     | 809.92     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21835    | 0.21835    | 0.21835    |   0.0 |  0.03
Output  | 0.00035404 | 0.00035404 | 0.00035404 |   0.0 |  0.00
Modify  | 1.141      | 1.141      | 1.141      |   0.0 |  0.14
Other   |            | 0.1682     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19195e+06 ave 2.19195e+06 max 2.19195e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191948
Ave neighs/atom = 273.99350
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.86416141065, Press = 0.587649260064091
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -58066.236   -58066.236   -58408.118   -58408.118    330.65578    330.65578    45737.292    45737.292   -3145.3912   -3145.3912 
   66000    -58067.39    -58067.39   -58412.008   -58412.008    333.30158    333.30158    45697.987    45697.987    249.10227    249.10227 
Loop time of 840.224 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.103 ns/day, 233.395 hours/ns, 1.190 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 838.62     | 838.62     | 838.62     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22292    | 0.22292    | 0.22292    |   0.0 |  0.03
Output  | 0.00025195 | 0.00025195 | 0.00025195 |   0.0 |  0.00
Modify  | 1.2024     | 1.2024     | 1.2024     |   0.0 |  0.14
Other   |            | 0.175      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19185e+06 ave 2.19185e+06 max 2.19185e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191854
Ave neighs/atom = 273.98175
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.872010579556, Press = -1.06097018102635
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000    -58067.39    -58067.39   -58412.008   -58412.008    333.30158    333.30158    45697.987    45697.987    249.10227    249.10227 
   67000   -58060.984   -58060.984   -58404.657   -58404.657    332.38816    332.38816    45686.233    45686.233    1826.9803    1826.9803 
Loop time of 876.604 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.099 ns/day, 243.501 hours/ns, 1.141 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 874.92     | 874.92     | 874.92     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22918    | 0.22918    | 0.22918    |   0.0 |  0.03
Output  | 0.00023779 | 0.00023779 | 0.00023779 |   0.0 |  0.00
Modify  | 1.2728     | 1.2728     | 1.2728     |   0.0 |  0.15
Other   |            | 0.184      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19190e+06 ave  2.1919e+06 max  2.1919e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191902
Ave neighs/atom = 273.98775
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.879953001342, Press = 0.637256004014861
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -58060.984   -58060.984   -58404.657   -58404.657    332.38816    332.38816    45686.233    45686.233    1826.9803    1826.9803 
   68000   -58072.417   -58072.417   -58416.038   -58416.038    332.33737    332.33737     45712.68     45712.68    -1341.508    -1341.508 
Loop time of 846.896 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.102 ns/day, 235.249 hours/ns, 1.181 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 845.28     | 845.28     | 845.28     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22401    | 0.22401    | 0.22401    |   0.0 |  0.03
Output  | 0.00024221 | 0.00024221 | 0.00024221 |   0.0 |  0.00
Modify  | 1.2154     | 1.2154     | 1.2154     |   0.0 |  0.14
Other   |            | 0.177      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19189e+06 ave 2.19189e+06 max 2.19189e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191892
Ave neighs/atom = 273.98650
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.905269028051, Press = 0.423093677156842
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -58072.417   -58072.417   -58416.038   -58416.038    332.33737    332.33737     45712.68     45712.68    -1341.508    -1341.508 
   69000   -58067.899   -58067.899   -58416.819   -58416.819    337.46295    337.46295    45700.848    45700.848   -135.95837   -135.95837 
Loop time of 822.364 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.105 ns/day, 228.434 hours/ns, 1.216 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 820.8      | 820.8      | 820.8      |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21963    | 0.21963    | 0.21963    |   0.0 |  0.03
Output  | 0.00024029 | 0.00024029 | 0.00024029 |   0.0 |  0.00
Modify  | 1.1735     | 1.1735     | 1.1735     |   0.0 |  0.14
Other   |            | 0.171      |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19186e+06 ave 2.19186e+06 max 2.19186e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191862
Ave neighs/atom = 273.98275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.907760986267, Press = -0.326684421160238
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -58067.899   -58067.899   -58416.819   -58416.819    337.46295    337.46295    45700.848    45700.848   -135.95837   -135.95837 
   70000    -58074.95    -58074.95   -58413.297   -58413.297    327.23699    327.23699      45692.1      45692.1    626.89723    626.89723 
Loop time of 888.351 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.097 ns/day, 246.764 hours/ns, 1.126 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 886.63     | 886.63     | 886.63     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.23328    | 0.23328    | 0.23328    |   0.0 |  0.03
Output  | 0.00025397 | 0.00025397 | 0.00025397 |   0.0 |  0.00
Modify  | 1.2969     | 1.2969     | 1.2969     |   0.0 |  0.15
Other   |            | 0.1881     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19190e+06 ave  2.1919e+06 max  2.1919e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191900
Ave neighs/atom = 273.98750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.912923008042, Press = 0.232484622305108
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000    -58074.95    -58074.95   -58413.297   -58413.297    327.23699    327.23699      45692.1      45692.1    626.89723    626.89723 
   71000   -58068.423   -58068.423   -58415.748   -58415.748     335.9197     335.9197    45706.093    45706.093   -563.60123   -563.60123 
Loop time of 827.631 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.104 ns/day, 229.897 hours/ns, 1.208 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 826.06     | 826.06     | 826.06     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22034    | 0.22034    | 0.22034    |   0.0 |  0.03
Output  | 0.00022526 | 0.00022526 | 0.00022526 |   0.0 |  0.00
Modify  | 1.1807     | 1.1807     | 1.1807     |   0.0 |  0.14
Other   |            | 0.1717     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19187e+06 ave 2.19187e+06 max 2.19187e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191870
Ave neighs/atom = 273.98375
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.903668545061, Press = 0.0951062926367835
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -58068.423   -58068.423   -58415.748   -58415.748     335.9197     335.9197    45706.093    45706.093   -563.60123   -563.60123 
   72000   -58076.497   -58076.497     -58419.6     -58419.6    331.83629    331.83629     45693.68     45693.68    214.80134    214.80134 
Loop time of 823.084 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.105 ns/day, 228.634 hours/ns, 1.215 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 821.52     | 821.52     | 821.52     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22029    | 0.22029    | 0.22029    |   0.0 |  0.03
Output  | 0.00022494 | 0.00022494 | 0.00022494 |   0.0 |  0.00
Modify  | 1.17       | 1.17       | 1.17       |   0.0 |  0.14
Other   |            | 0.1707     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19189e+06 ave 2.19189e+06 max 2.19189e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191890
Ave neighs/atom = 273.98625
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.89019022907, Press = -0.0655485614685487
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -58076.497   -58076.497     -58419.6     -58419.6    331.83629    331.83629     45693.68     45693.68    214.80134    214.80134 
   73000   -58066.751   -58066.751   -58413.412   -58413.412    335.27708    335.27708    45702.237    45702.237   -7.6794003   -7.6794003 
Loop time of 816.904 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.106 ns/day, 226.918 hours/ns, 1.224 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 815.36     | 815.36     | 815.36     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21985    | 0.21985    | 0.21985    |   0.0 |  0.03
Output  | 0.00022081 | 0.00022081 | 0.00022081 |   0.0 |  0.00
Modify  | 1.1586     | 1.1586     | 1.1586     |   0.0 |  0.14
Other   |            | 0.1693     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19191e+06 ave 2.19191e+06 max 2.19191e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191912
Ave neighs/atom = 273.98900
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.895683481274, Press = 0.215077289236263
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -58066.751   -58066.751   -58413.412   -58413.412    335.27708    335.27708    45702.237    45702.237   -7.6794003   -7.6794003 
   74000   -58073.479   -58073.479   -58417.493   -58417.493    332.71758    332.71758    45703.123    45703.123    -452.9836    -452.9836 
Loop time of 832.776 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.104 ns/day, 231.327 hours/ns, 1.201 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 831.19     | 831.19     | 831.19     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22204    | 0.22204    | 0.22204    |   0.0 |  0.03
Output  | 0.00022554 | 0.00022554 | 0.00022554 |   0.0 |  0.00
Modify  | 1.1907     | 1.1907     | 1.1907     |   0.0 |  0.14
Other   |            | 0.1737     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19188e+06 ave 2.19188e+06 max 2.19188e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191884
Ave neighs/atom = 273.98550
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.913464805715, Press = -0.151361137391124
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -58073.479   -58073.479   -58417.493   -58417.493    332.71758    332.71758    45703.123    45703.123    -452.9836    -452.9836 
   75000   -58060.233   -58060.233   -58413.824   -58413.824    341.97992    341.97992    45693.122    45693.122    976.30076    976.30076 
Loop time of 806.441 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.107 ns/day, 224.011 hours/ns, 1.240 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 804.92     | 804.92     | 804.92     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21679    | 0.21679    | 0.21679    |   0.0 |  0.03
Output  | 0.00030549 | 0.00030549 | 0.00030549 |   0.0 |  0.00
Modify  | 1.1414     | 1.1414     | 1.1414     |   0.0 |  0.14
Other   |            | 0.1677     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19191e+06 ave 2.19191e+06 max 2.19191e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191914
Ave neighs/atom = 273.98925
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.924348845998, Press = 0.0314254754009661
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -58060.233   -58060.233   -58413.824   -58413.824    341.97992    341.97992    45693.122    45693.122    976.30076    976.30076 
   76000    -58073.35    -58073.35   -58418.508   -58418.508    333.82435    333.82435    45707.146    45707.146   -774.46927   -774.46927 
Loop time of 769.432 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.112 ns/day, 213.731 hours/ns, 1.300 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 767.96     | 767.96     | 767.96     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.20731    | 0.20731    | 0.20731    |   0.0 |  0.03
Output  | 0.00022534 | 0.00022534 | 0.00022534 |   0.0 |  0.00
Modify  | 1.099      | 1.099      | 1.099      |   0.0 |  0.14
Other   |            | 0.1667     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19193e+06 ave 2.19193e+06 max 2.19193e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191928
Ave neighs/atom = 273.99100
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.94367727352, Press = 0.563315580402173
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000    -58073.35    -58073.35   -58418.508   -58418.508    333.82435    333.82435    45707.146    45707.146   -774.46927   -774.46927 
   77000   -58064.734   -58064.734   -58415.539   -58415.539     339.2851     339.2851    45717.949    45717.949   -1445.1107   -1445.1107 
Loop time of 809.29 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.107 ns/day, 224.803 hours/ns, 1.236 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 807.77     | 807.77     | 807.77     |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.21735    | 0.21735    | 0.21735    |   0.0 |  0.03
Output  | 0.00022405 | 0.00022405 | 0.00022405 |   0.0 |  0.00
Modify  | 1.1366     | 1.1366     | 1.1366     |   0.0 |  0.14
Other   |            | 0.1668     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19194e+06 ave 2.19194e+06 max 2.19194e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191936
Ave neighs/atom = 273.99200
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.964314122716, Press = -0.924391074531283
next a
jump SELF top
variable a loop 2000
run 1000
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7
  ghost atom cutoff = 7
  binsize = 3.5, bins = 11 11 11
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair kim, perpetual
      attributes: full, newton off, cut 7
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 14.81 | 14.81 | 14.81 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000   -58064.734   -58064.734   -58415.539   -58415.539     339.2851     339.2851    45717.949    45717.949   -1445.1107   -1445.1107 
   78000   -58068.144   -58068.144   -58416.227   -58416.227     336.6524     336.6524    45659.904    45659.904    3677.7341    3677.7341 
Loop time of 864.659 on 1 procs for 1000 steps with 8000 atoms

Performance: 0.100 ns/day, 240.183 hours/ns, 1.157 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 863        | 863        | 863        |   0.0 | 99.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.22746    | 0.22746    | 0.22746    |   0.0 |  0.03
Output  | 0.00025175 | 0.00025175 | 0.00025175 |   0.0 |  0.00
Modify  | 1.2496     | 1.2496     | 1.2496     |   0.0 |  0.14
Other   |            | 0.1822     |            |       |  0.02

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        12817.0 ave       12817 max       12817 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         0.00000 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  2.19190e+06 ave  2.1919e+06 max  2.1919e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2191900
Ave neighs/atom = 273.98750
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T333.15.out"  else  "print 'not_converged'  file output/vol_T333.15.out"
print '${V}'  file output/vol_T333.15.out
45699.9671939144

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0