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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 2.8780683577060704*${_u_distance}
variable latticeconst_converted equal 2.8780683577060704*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.87806835770607
Lattice spacing in x,y,z = 2.8780684 2.8780684 2.8780684
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 (28.780684 28.780684 28.780684)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.780684 28.780684 28.780684)
  create_atoms CPU = 0.002 seconds

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

kim_interactions Cr

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

kim interactions Cr
#=== BEGIN kim interactions ==================================
variable kim_update equal 0
variable kim_periodic equal 1
pair_style hybrid/overlay eam/alloy eam/fs
pair_coeff * * eam/alloy /tmp/kim-shared-library-parameter-file-directory-XXXXXXo0YSu5/Fe_Cr_Eich_2015_TBM_lammps.eam.alloy Cr
pair_coeff * * eam/fs /tmp/kim-shared-library-parameter-file-directory-XXXXXXo0YSu5/Fe_Cr_Eich_2015_TBM_lammps.eam.fs Cr
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 51.9961

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 23839.8387891947    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23839.8387891947/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23839.8387891947/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 23839.8387891947/(1*1*${_u_distance})
variable      V0_metal equal 23839.8387891947/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 23839.8387891947*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 23839.8387891947 Angstroms^3

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

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

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

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

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

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

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

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/SM_731771351835_000#item-citation

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.3
  ghost atom cutoff = 7.3
  binsize = 3.65, bins = 8 8 8
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair eam/alloy, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
  (2) pair eam/fs, perpetual, copy from (1)
      attributes: half, newton on
      pair build: copy
      stencil: none
      bin: none
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -7591.6509   -7591.6509   -7672.5661   -7672.5661       313.15       313.15    23839.839    23839.839    3625.2995    3625.2995 
    1000   -7508.5165   -7508.5165   -7590.6638   -7590.6638    317.91849    317.91849    23999.033    23999.033   -752.32435   -752.32435 
Loop time of 44.2106 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.954 ns/day, 12.281 hours/ns, 22.619 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.625     | 43.625     | 43.625     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13356    | 0.13356    | 0.13356    |   0.0 |  0.30
Output  | 0.00023141 | 0.00023141 | 0.00023141 |   0.0 |  0.00
Modify  | 0.3812     | 0.3812     | 0.3812     |   0.0 |  0.86
Other   |            | 0.07079    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5471.00 ave        5471 max        5471 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136000.0 ave      136000 max      136000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136000
Ave neighs/atom = 68.000000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -7508.5165   -7508.5165   -7590.6638   -7590.6638    317.91849    317.91849    23999.033    23999.033   -752.32435   -752.32435 
    2000   -7506.5289   -7506.5289   -7589.0394   -7589.0394    319.32393    319.32393    24022.436    24022.436   -2397.1153   -2397.1153 
Loop time of 45.3489 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.905 ns/day, 12.597 hours/ns, 22.051 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    | 44.767     | 44.767     | 44.767     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13165    | 0.13165    | 0.13165    |   0.0 |  0.29
Output  | 0.00018827 | 0.00018827 | 0.00018827 |   0.0 |  0.00
Modify  | 0.37973    | 0.37973    | 0.37973    |   0.0 |  0.84
Other   |            | 0.07036    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5396.00 ave        5396 max        5396 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136174.0 ave      136174 max      136174 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136174
Ave neighs/atom = 68.087000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -7506.5289   -7506.5289   -7589.0394   -7589.0394    319.32393    319.32393    24022.436    24022.436   -2397.1153   -2397.1153 
    3000   -7510.4089   -7510.4089   -7591.2653   -7591.2653    312.92276    312.92276    24017.182    24017.182   -2109.9759   -2109.9759 
Loop time of 45.4749 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.900 ns/day, 12.632 hours/ns, 21.990 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.893     | 44.893     | 44.893     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13253    | 0.13253    | 0.13253    |   0.0 |  0.29
Output  | 0.00018599 | 0.00018599 | 0.00018599 |   0.0 |  0.00
Modify  | 0.37945    | 0.37945    | 0.37945    |   0.0 |  0.83
Other   |            | 0.06937    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5356.00 ave        5356 max        5356 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136190.0 ave      136190 max      136190 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136190
Ave neighs/atom = 68.095000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -7510.4089   -7510.4089   -7591.2653   -7591.2653    312.92276    312.92276    24017.182    24017.182   -2109.9759   -2109.9759 
    4000   -7505.6007   -7505.6007   -7588.4211   -7588.4211    320.52375    320.52375    24002.304    24002.304    10.935674    10.935674 
Loop time of 44.0625 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.961 ns/day, 12.240 hours/ns, 22.695 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.498     | 43.498     | 43.498     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12827    | 0.12827    | 0.12827    |   0.0 |  0.29
Output  | 0.00018496 | 0.00018496 | 0.00018496 |   0.0 |  0.00
Modify  | 0.36686    | 0.36686    | 0.36686    |   0.0 |  0.83
Other   |            | 0.06873    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5373.00 ave        5373 max        5373 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136168.0 ave      136168 max      136168 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136168
Ave neighs/atom = 68.084000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -7505.6007   -7505.6007   -7588.4211   -7588.4211    320.52375    320.52375    24002.304    24002.304    10.935674    10.935674 
    5000   -7510.4892   -7510.4892   -7591.1337   -7591.1337    312.10236    312.10236    23947.184    23947.184    3154.1311    3154.1311 
Loop time of 44.3337 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.949 ns/day, 12.315 hours/ns, 22.556 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.755     | 43.755     | 43.755     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13076    | 0.13076    | 0.13076    |   0.0 |  0.29
Output  | 0.00021164 | 0.00021164 | 0.00021164 |   0.0 |  0.00
Modify  | 0.37715    | 0.37715    | 0.37715    |   0.0 |  0.85
Other   |            | 0.07056    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5392.00 ave        5392 max        5392 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136168.0 ave      136168 max      136168 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136168
Ave neighs/atom = 68.084000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 309.989742224334, Press = 181.388340699593
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -7510.4892   -7510.4892   -7591.1337   -7591.1337    312.10236    312.10236    23947.184    23947.184    3154.1311    3154.1311 
    6000   -7508.2271   -7508.2271   -7588.0768   -7588.0768     309.0263     309.0263    23991.035    23991.035    857.35458    857.35458 
Loop time of 45.856 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.884 ns/day, 12.738 hours/ns, 21.807 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.25      | 45.25      | 45.25      |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13379    | 0.13379    | 0.13379    |   0.0 |  0.29
Output  | 0.00019094 | 0.00019094 | 0.00019094 |   0.0 |  0.00
Modify  | 0.40361    | 0.40361    | 0.40361    |   0.0 |  0.88
Other   |            | 0.06873    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5388.00 ave        5388 max        5388 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136210.0 ave      136210 max      136210 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136210
Ave neighs/atom = 68.105000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.202861386704, Press = 74.1738729758725
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000   -7508.2271   -7508.2271   -7588.0768   -7588.0768     309.0263     309.0263    23991.035    23991.035    857.35458    857.35458 
    7000   -7507.2308   -7507.2308   -7589.6093   -7589.6093    318.81351    318.81351    24023.171    24023.171   -1702.0005   -1702.0005 
Loop time of 44.6241 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.936 ns/day, 12.396 hours/ns, 22.409 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    | 44.025     | 44.025     | 44.025     |   0.0 | 98.66
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13072    | 0.13072    | 0.13072    |   0.0 |  0.29
Output  | 0.00020013 | 0.00020013 | 0.00020013 |   0.0 |  0.00
Modify  | 0.39848    | 0.39848    | 0.39848    |   0.0 |  0.89
Other   |            | 0.07001    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5356.00 ave        5356 max        5356 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136198.0 ave      136198 max      136198 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136198
Ave neighs/atom = 68.099000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 311.184420065616, Press = -5.2248976562588
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -7507.2308   -7507.2308   -7589.6093   -7589.6093    318.81351    318.81351    24023.171    24023.171   -1702.0005   -1702.0005 
    8000   -7509.5033   -7509.5033   -7589.8054   -7589.8054    310.77713    310.77713    24002.126    24002.126   -838.91395   -838.91395 
Loop time of 44.255 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.952 ns/day, 12.293 hours/ns, 22.596 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    | 43.659     | 43.659     | 43.659     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13007    | 0.13007    | 0.13007    |   0.0 |  0.29
Output  | 0.00025734 | 0.00025734 | 0.00025734 |   0.0 |  0.00
Modify  | 0.39544    | 0.39544    | 0.39544    |   0.0 |  0.89
Other   |            | 0.06979    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5353.00 ave        5353 max        5353 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136166.0 ave      136166 max      136166 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136166
Ave neighs/atom = 68.083000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 311.767919998838, Press = -13.6202427442145
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -7509.5033   -7509.5033   -7589.8054   -7589.8054    310.77713    310.77713    24002.126    24002.126   -838.91395   -838.91395 
    9000   -7507.5221   -7507.5221   -7590.5694   -7590.5694    321.40154    321.40154    24004.872    24004.872   -1011.5486   -1011.5486 
Loop time of 48.6193 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.777 ns/day, 13.505 hours/ns, 20.568 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 47.993     | 47.993     | 47.993     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13757    | 0.13757    | 0.13757    |   0.0 |  0.28
Output  | 0.00015547 | 0.00015547 | 0.00015547 |   0.0 |  0.00
Modify  | 0.42141    | 0.42141    | 0.42141    |   0.0 |  0.87
Other   |            | 0.06761    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5380.00 ave        5380 max        5380 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136199.0 ave      136199 max      136199 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136199
Ave neighs/atom = 68.099500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.849087221711, Press = -4.25605420265682
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -7507.5221   -7507.5221   -7590.5694   -7590.5694    321.40154    321.40154    24004.872    24004.872   -1011.5486   -1011.5486 
   10000   -7506.8777   -7506.8777   -7589.9745   -7589.9745    321.59299    321.59299    23995.469    23995.469    -39.47116    -39.47116 
Loop time of 41.607 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.077 ns/day, 11.558 hours/ns, 24.034 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.067     | 41.067     | 41.067     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12017    | 0.12017    | 0.12017    |   0.0 |  0.29
Output  | 0.00015459 | 0.00015459 | 0.00015459 |   0.0 |  0.00
Modify  | 0.35487    | 0.35487    | 0.35487    |   0.0 |  0.85
Other   |            | 0.06523    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5366.00 ave        5366 max        5366 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136200.0 ave      136200 max      136200 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136200
Ave neighs/atom = 68.100000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.971268525767, Press = -9.90128770983187
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -7506.8777   -7506.8777   -7589.9745   -7589.9745    321.59299    321.59299    23995.469    23995.469    -39.47116    -39.47116 
   11000   -7511.1791   -7511.1791   -7591.4177   -7591.4177    310.53159    310.53159    23952.053    23952.053    3009.0505    3009.0505 
Loop time of 42.5859 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.029 ns/day, 11.829 hours/ns, 23.482 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 42.028     | 42.028     | 42.028     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12248    | 0.12248    | 0.12248    |   0.0 |  0.29
Output  | 0.00015272 | 0.00015272 | 0.00015272 |   0.0 |  0.00
Modify  | 0.36767    | 0.36767    | 0.36767    |   0.0 |  0.86
Other   |            | 0.06746    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5376.00 ave        5376 max        5376 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136225.0 ave      136225 max      136225 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136225
Ave neighs/atom = 68.112500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.295819654832, Press = -4.38188991494822
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -7511.1791   -7511.1791   -7591.4177   -7591.4177    310.53159    310.53159    23952.053    23952.053    3009.0505    3009.0505 
   12000   -7506.6344   -7506.6344    -7587.624    -7587.624    313.43797    313.43797    23973.246    23973.246    1749.6098    1749.6098 
Loop time of 47.9918 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.800 ns/day, 13.331 hours/ns, 20.837 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 47.363     | 47.363     | 47.363     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13687    | 0.13687    | 0.13687    |   0.0 |  0.29
Output  | 0.00015104 | 0.00015104 | 0.00015104 |   0.0 |  0.00
Modify  | 0.42166    | 0.42166    | 0.42166    |   0.0 |  0.88
Other   |            | 0.06979    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5410.00 ave        5410 max        5410 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136213.0 ave      136213 max      136213 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136213
Ave neighs/atom = 68.106500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 313.003679385881, Press = 6.48100816221014
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -7506.6344   -7506.6344    -7587.624    -7587.624    313.43797    313.43797    23973.246    23973.246    1749.6098    1749.6098 
   13000   -7510.0221   -7510.0221   -7589.2228   -7589.2228    306.51512    306.51512    24008.549    24008.549   -1285.2199   -1285.2199 
Loop time of 46.1415 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.873 ns/day, 12.817 hours/ns, 21.672 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    | 45.548     | 45.548     | 45.548     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12958    | 0.12958    | 0.12958    |   0.0 |  0.28
Output  | 0.00015207 | 0.00015207 | 0.00015207 |   0.0 |  0.00
Modify  | 0.39598    | 0.39598    | 0.39598    |   0.0 |  0.86
Other   |            | 0.06756    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5385.00 ave        5385 max        5385 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136243.0 ave      136243 max      136243 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136243
Ave neighs/atom = 68.121500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.647598107509, Press = -5.00693853363308
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -7510.0221   -7510.0221   -7589.2228   -7589.2228    306.51512    306.51512    24008.549    24008.549   -1285.2199   -1285.2199 
   14000   -7508.3731   -7508.3731   -7589.8464   -7589.8464    315.31007    315.31007    23991.885    23991.885    310.10942    310.10942 
Loop time of 41.1513 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.100 ns/day, 11.431 hours/ns, 24.301 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.614     | 40.614     | 40.614     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11844    | 0.11844    | 0.11844    |   0.0 |  0.29
Output  | 0.00015114 | 0.00015114 | 0.00015114 |   0.0 |  0.00
Modify  | 0.35269    | 0.35269    | 0.35269    |   0.0 |  0.86
Other   |            | 0.06563    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5354.00 ave        5354 max        5354 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136183.0 ave      136183 max      136183 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136183
Ave neighs/atom = 68.091500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.665879436818, Press = -6.0243142342525
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -7508.3731   -7508.3731   -7589.8464   -7589.8464    315.31007    315.31007    23991.885    23991.885    310.10942    310.10942 
   15000   -7511.7277   -7511.7277   -7591.6456   -7591.6456    309.29018    309.29018     23971.52     23971.52    1174.1023    1174.1023 
Loop time of 41.1327 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.101 ns/day, 11.426 hours/ns, 24.312 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.595     | 40.595     | 40.595     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11871    | 0.11871    | 0.11871    |   0.0 |  0.29
Output  | 0.00015365 | 0.00015365 | 0.00015365 |   0.0 |  0.00
Modify  | 0.35272    | 0.35272    | 0.35272    |   0.0 |  0.86
Other   |            | 0.06595    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5371.00 ave        5371 max        5371 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136192.0 ave      136192 max      136192 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136192
Ave neighs/atom = 68.096000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.38891095356, Press = -0.356346551336697
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -7511.7277   -7511.7277   -7591.6456   -7591.6456    309.29018    309.29018     23971.52     23971.52    1174.1023    1174.1023 
   16000   -7509.5127   -7509.5127   -7590.9188   -7590.9188    315.05006    315.05006    24002.081    24002.081   -888.40421   -888.40421 
Loop time of 41.1904 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.098 ns/day, 11.442 hours/ns, 24.278 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.653     | 40.653     | 40.653     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11922    | 0.11922    | 0.11922    |   0.0 |  0.29
Output  | 0.00015297 | 0.00015297 | 0.00015297 |   0.0 |  0.00
Modify  | 0.35226    | 0.35226    | 0.35226    |   0.0 |  0.86
Other   |            | 0.06599    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5395.00 ave        5395 max        5395 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136226.0 ave      136226 max      136226 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136226
Ave neighs/atom = 68.113000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.480651765342, Press = 2.58803926669423
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -7509.5127   -7509.5127   -7590.9188   -7590.9188    315.05006    315.05006    24002.081    24002.081   -888.40421   -888.40421 
   17000    -7508.373    -7508.373   -7589.6393   -7589.6393    314.50886    314.50886    24038.256    24038.256   -3854.6906   -3854.6906 
Loop time of 41.1703 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.099 ns/day, 11.436 hours/ns, 24.289 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.633     | 40.633     | 40.633     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11877    | 0.11877    | 0.11877    |   0.0 |  0.29
Output  | 0.0001511  | 0.0001511  | 0.0001511  |   0.0 |  0.00
Modify  | 0.35255    | 0.35255    | 0.35255    |   0.0 |  0.86
Other   |            | 0.06579    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5361.00 ave        5361 max        5361 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136161.0 ave      136161 max      136161 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136161
Ave neighs/atom = 68.080500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.569561961773, Press = 3.41728505459915
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000    -7508.373    -7508.373   -7589.6393   -7589.6393    314.50886    314.50886    24038.256    24038.256   -3854.6906   -3854.6906 
   18000   -7509.1624   -7509.1624   -7587.3894   -7587.3894    302.74672    302.74672    24001.016    24001.016   -351.71723   -351.71723 
Loop time of 41.1838 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.098 ns/day, 11.440 hours/ns, 24.281 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.647     | 40.647     | 40.647     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11901    | 0.11901    | 0.11901    |   0.0 |  0.29
Output  | 0.00019751 | 0.00019751 | 0.00019751 |   0.0 |  0.00
Modify  | 0.35232    | 0.35232    | 0.35232    |   0.0 |  0.86
Other   |            | 0.06571    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5368.00 ave        5368 max        5368 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136140.0 ave      136140 max      136140 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136140
Ave neighs/atom = 68.070000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.818002693112, Press = -5.25095401381998
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -7509.1624   -7509.1624   -7587.3894   -7587.3894    302.74672    302.74672    24001.016    24001.016   -351.71723   -351.71723 
   19000   -7508.3434   -7508.3434   -7589.2453   -7589.2453    313.09875    313.09875    23985.622    23985.622    588.08839    588.08839 
Loop time of 41.2155 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.096 ns/day, 11.449 hours/ns, 24.263 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.678     | 40.678     | 40.678     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1193     | 0.1193     | 0.1193     |   0.0 |  0.29
Output  | 0.00015237 | 0.00015237 | 0.00015237 |   0.0 |  0.00
Modify  | 0.35201    | 0.35201    | 0.35201    |   0.0 |  0.85
Other   |            | 0.06562    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5366.00 ave        5366 max        5366 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136196.0 ave      136196 max      136196 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136196
Ave neighs/atom = 68.098000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.933823480532, Press = -3.68234566371786
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -7508.3434   -7508.3434   -7589.2453   -7589.2453    313.09875    313.09875    23985.622    23985.622    588.08839    588.08839 
   20000    -7508.714    -7508.714   -7589.5887   -7589.5887     312.9934     312.9934    23980.017    23980.017    1593.5142    1593.5142 
Loop time of 44.4971 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.942 ns/day, 12.360 hours/ns, 22.473 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.958     | 43.958     | 43.958     |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12236    | 0.12236    | 0.12236    |   0.0 |  0.27
Output  | 0.00015708 | 0.00015708 | 0.00015708 |   0.0 |  0.00
Modify  | 0.3533     | 0.3533     | 0.3533     |   0.0 |  0.79
Other   |            | 0.06289    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5369.00 ave        5369 max        5369 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136180.0 ave      136180 max      136180 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136180
Ave neighs/atom = 68.090000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.991657478547, Press = -1.03555188777856
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000    -7508.714    -7508.714   -7589.5887   -7589.5887     312.9934     312.9934    23980.017    23980.017    1593.5142    1593.5142 
   21000   -7507.1659   -7507.1659   -7587.8173   -7587.8173    312.12897    312.12897    23997.908    23997.908   -96.222177   -96.222177 
Loop time of 46.3311 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.865 ns/day, 12.870 hours/ns, 21.584 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.788     | 45.788     | 45.788     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12554    | 0.12554    | 0.12554    |   0.0 |  0.27
Output  | 0.00020547 | 0.00020547 | 0.00020547 |   0.0 |  0.00
Modify  | 0.3555     | 0.3555     | 0.3555     |   0.0 |  0.77
Other   |            | 0.06166    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5392.00 ave        5392 max        5392 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136201.0 ave      136201 max      136201 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136201
Ave neighs/atom = 68.100500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.892031042394, Press = 0.951948846466794
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -7507.1659   -7507.1659   -7587.8173   -7587.8173    312.12897    312.12897    23997.908    23997.908   -96.222177   -96.222177 
   22000   -7511.4851   -7511.4851   -7590.3149   -7590.3149    305.07954    305.07954    24008.102    24008.102   -1725.6386   -1725.6386 
Loop time of 45.9147 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.882 ns/day, 12.754 hours/ns, 21.780 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.373     | 45.373     | 45.373     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12482    | 0.12482    | 0.12482    |   0.0 |  0.27
Output  | 0.00016025 | 0.00016025 | 0.00016025 |   0.0 |  0.00
Modify  | 0.35512    | 0.35512    | 0.35512    |   0.0 |  0.77
Other   |            | 0.06133    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5374.00 ave        5374 max        5374 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136221.0 ave      136221 max      136221 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136221
Ave neighs/atom = 68.110500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.817386579378, Press = -1.6623603198276
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -7511.4851   -7511.4851   -7590.3149   -7590.3149    305.07954    305.07954    24008.102    24008.102   -1725.6386   -1725.6386 
   23000   -7508.1926   -7508.1926   -7589.1926   -7589.1926    313.47874    313.47874    23975.766    23975.766    1256.5896    1256.5896 
Loop time of 46.1458 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.872 ns/day, 12.818 hours/ns, 21.670 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.601     | 45.601     | 45.601     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12431    | 0.12431    | 0.12431    |   0.0 |  0.27
Output  | 0.00015726 | 0.00015726 | 0.00015726 |   0.0 |  0.00
Modify  | 0.35822    | 0.35822    | 0.35822    |   0.0 |  0.78
Other   |            | 0.0619     |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5374.00 ave        5374 max        5374 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136157.0 ave      136157 max      136157 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136157
Ave neighs/atom = 68.078500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.694297922847, Press = -5.50518772672979
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -7508.1926   -7508.1926   -7589.1926   -7589.1926    313.47874    313.47874    23975.766    23975.766    1256.5896    1256.5896 
   24000   -7510.4625   -7510.4625    -7590.406    -7590.406    309.38983    309.38983    23943.446    23943.446    3726.2364    3726.2364 
Loop time of 44.1393 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.957 ns/day, 12.261 hours/ns, 22.656 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    | 43.592     | 43.592     | 43.592     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12351    | 0.12351    | 0.12351    |   0.0 |  0.28
Output  | 0.00019694 | 0.00019694 | 0.00019694 |   0.0 |  0.00
Modify  | 0.3584     | 0.3584     | 0.3584     |   0.0 |  0.81
Other   |            | 0.06481    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5413.00 ave        5413 max        5413 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136230.0 ave      136230 max      136230 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136230
Ave neighs/atom = 68.115000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.671642746879, Press = 3.28101307955337
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -7510.4625   -7510.4625    -7590.406    -7590.406    309.38983    309.38983    23943.446    23943.446    3726.2364    3726.2364 
   25000   -7506.7894   -7506.7894   -7588.5965   -7588.5965    316.60163    316.60163    24000.615    24000.615   -369.10561   -369.10561 
Loop time of 44.3513 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.948 ns/day, 12.320 hours/ns, 22.547 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.773     | 43.773     | 43.773     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12844    | 0.12844    | 0.12844    |   0.0 |  0.29
Output  | 0.00019111 | 0.00019111 | 0.00019111 |   0.0 |  0.00
Modify  | 0.38254    | 0.38254    | 0.38254    |   0.0 |  0.86
Other   |            | 0.06736    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5411.00 ave        5411 max        5411 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136236.0 ave      136236 max      136236 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136236
Ave neighs/atom = 68.118000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.555083862381, Press = 0.483746755194994
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -7506.7894   -7506.7894   -7588.5965   -7588.5965    316.60163    316.60163    24000.615    24000.615   -369.10561   -369.10561 
   26000   -7509.1131   -7509.1131   -7589.5844   -7589.5844     311.4322     311.4322    24007.122    24007.122   -1009.9976   -1009.9976 
Loop time of 51.237 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.686 ns/day, 14.232 hours/ns, 19.517 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    | 50.575     | 50.575     | 50.575     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.145      | 0.145      | 0.145      |   0.0 |  0.28
Output  | 0.00015391 | 0.00015391 | 0.00015391 |   0.0 |  0.00
Modify  | 0.44738    | 0.44738    | 0.44738    |   0.0 |  0.87
Other   |            | 0.06919    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5358.00 ave        5358 max        5358 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136223.0 ave      136223 max      136223 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136223
Ave neighs/atom = 68.111500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.56769879397, Press = -1.57106030125472
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -7509.1131   -7509.1131   -7589.5844   -7589.5844     311.4322     311.4322    24007.122    24007.122   -1009.9976   -1009.9976 
   27000   -7508.4174   -7508.4174   -7589.4156   -7589.4156    313.47149    313.47149    23989.703    23989.703   -115.49303   -115.49303 
Loop time of 50.8411 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.699 ns/day, 14.123 hours/ns, 19.669 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.183     | 50.183     | 50.183     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14368    | 0.14368    | 0.14368    |   0.0 |  0.28
Output  | 0.00015354 | 0.00015354 | 0.00015354 |   0.0 |  0.00
Modify  | 0.44516    | 0.44516    | 0.44516    |   0.0 |  0.88
Other   |            | 0.06899    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5359.00 ave        5359 max        5359 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136170.0 ave      136170 max      136170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136170
Ave neighs/atom = 68.085000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.579039751321, Press = -3.76545622255579
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -7508.4174   -7508.4174   -7589.4156   -7589.4156    313.47149    313.47149    23989.703    23989.703   -115.49303   -115.49303 
   28000   -7507.1677   -7507.1677   -7588.8763   -7588.8763    316.22076    316.22076    24006.859    24006.859   -1072.8723   -1072.8723 
Loop time of 48.4761 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.782 ns/day, 13.466 hours/ns, 20.629 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 47.861     | 47.861     | 47.861     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13688    | 0.13688    | 0.13688    |   0.0 |  0.28
Output  | 0.0001861  | 0.0001861  | 0.0001861  |   0.0 |  0.00
Modify  | 0.41067    | 0.41067    | 0.41067    |   0.0 |  0.85
Other   |            | 0.06722    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5396.00 ave        5396 max        5396 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136184.0 ave      136184 max      136184 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136184
Ave neighs/atom = 68.092000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.508703668826, Press = -2.46170261678402
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -7507.1677   -7507.1677   -7588.8763   -7588.8763    316.22076    316.22076    24006.859    24006.859   -1072.8723   -1072.8723 
   29000   -7507.5153   -7507.5153   -7589.3342   -7589.3342    316.64762    316.64762    23975.931    23975.931    1560.4787    1560.4787 
Loop time of 42.2268 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.046 ns/day, 11.730 hours/ns, 23.682 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.675     | 41.675     | 41.675     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12239    | 0.12239    | 0.12239    |   0.0 |  0.29
Output  | 0.00015273 | 0.00015273 | 0.00015273 |   0.0 |  0.00
Modify  | 0.36147    | 0.36147    | 0.36147    |   0.0 |  0.86
Other   |            | 0.06745    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5375.00 ave        5375 max        5375 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136148.0 ave      136148 max      136148 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136148
Ave neighs/atom = 68.074000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.471048017586, Press = 0.348292222443863
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -7507.5153   -7507.5153   -7589.3342   -7589.3342    316.64762    316.64762    23975.931    23975.931    1560.4787    1560.4787 
   30000   -7511.0558   -7511.0558   -7591.4387   -7591.4387     311.0899     311.0899    24012.262    24012.262    -2224.776    -2224.776 
Loop time of 44.5699 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.939 ns/day, 12.381 hours/ns, 22.437 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    | 43.985     | 43.985     | 43.985     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12976    | 0.12976    | 0.12976    |   0.0 |  0.29
Output  | 0.00019581 | 0.00019581 | 0.00019581 |   0.0 |  0.00
Modify  | 0.38684    | 0.38684    | 0.38684    |   0.0 |  0.87
Other   |            | 0.06781    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5398.00 ave        5398 max        5398 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136226.0 ave      136226 max      136226 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136226
Ave neighs/atom = 68.113000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.405405264262, Press = 0.793830878933388
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -7511.0558   -7511.0558   -7591.4387   -7591.4387     311.0899     311.0899    24012.262    24012.262    -2224.776    -2224.776 
   31000   -7509.6636   -7509.6636    -7589.684    -7589.684    309.68707    309.68707    24011.594    24011.594   -1683.1072   -1683.1072 
Loop time of 49.6217 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.741 ns/day, 13.784 hours/ns, 20.152 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 48.983     | 48.983     | 48.983     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14022    | 0.14022    | 0.14022    |   0.0 |  0.28
Output  | 0.00015218 | 0.00015218 | 0.00015218 |   0.0 |  0.00
Modify  | 0.43053    | 0.43053    | 0.43053    |   0.0 |  0.87
Other   |            | 0.06755    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5386.00 ave        5386 max        5386 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136173.0 ave      136173 max      136173 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136173
Ave neighs/atom = 68.086500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.385655162035, Press = -3.10533121495899
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -7509.6636   -7509.6636    -7589.684    -7589.684    309.68707    309.68707    24011.594    24011.594   -1683.1072   -1683.1072 
   32000   -7508.2645   -7508.2645   -7590.2019   -7590.2019    317.10624    317.10624    23952.146    23952.146    2882.9753    2882.9753 
Loop time of 42.4852 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.034 ns/day, 11.801 hours/ns, 23.538 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.934     | 41.934     | 41.934     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12269    | 0.12269    | 0.12269    |   0.0 |  0.29
Output  | 0.00015364 | 0.00015364 | 0.00015364 |   0.0 |  0.00
Modify  | 0.36304    | 0.36304    | 0.36304    |   0.0 |  0.85
Other   |            | 0.06581    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5360.00 ave        5360 max        5360 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136187.0 ave      136187 max      136187 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136187
Ave neighs/atom = 68.093500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.322046497323, Press = -2.87447913110064
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -7508.2645   -7508.2645   -7590.2019   -7590.2019    317.10624    317.10624    23952.146    23952.146    2882.9753    2882.9753 
   33000   -7507.7782   -7507.7782   -7590.7076   -7590.7076    320.94539    320.94539    23986.948    23986.948    456.61384    456.61384 
Loop time of 46.9237 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.841 ns/day, 13.034 hours/ns, 21.311 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    | 46.323     | 46.323     | 46.323     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13271    | 0.13271    | 0.13271    |   0.0 |  0.28
Output  | 0.00015522 | 0.00015522 | 0.00015522 |   0.0 |  0.00
Modify  | 0.40147    | 0.40147    | 0.40147    |   0.0 |  0.86
Other   |            | 0.06682    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5396.00 ave        5396 max        5396 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136232.0 ave      136232 max      136232 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136232
Ave neighs/atom = 68.116000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.346119849454, Press = 0.951918784225946
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -7507.7782   -7507.7782   -7590.7076   -7590.7076    320.94539    320.94539    23986.948    23986.948    456.61384    456.61384 
   34000     -7511.22     -7511.22   -7590.6071   -7590.6071    307.23651    307.23651    24011.883    24011.883   -1403.4998   -1403.4998 
Loop time of 51.9787 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.662 ns/day, 14.439 hours/ns, 19.239 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    | 51.322     | 51.322     | 51.322     |   0.0 | 98.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14332    | 0.14332    | 0.14332    |   0.0 |  0.28
Output  | 0.00019151 | 0.00019151 | 0.00019151 |   0.0 |  0.00
Modify  | 0.44504    | 0.44504    | 0.44504    |   0.0 |  0.86
Other   |            | 0.06778    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5382.00 ave        5382 max        5382 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136199.0 ave      136199 max      136199 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136199
Ave neighs/atom = 68.099500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.26186013187, Press = -0.889592324012459
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000     -7511.22     -7511.22   -7590.6071   -7590.6071    307.23651    307.23651    24011.883    24011.883   -1403.4998   -1403.4998 
   35000   -7506.2869   -7506.2869   -7588.3053   -7588.3053     317.4198     317.4198    24007.916    24007.916   -1005.5259   -1005.5259 
Loop time of 49.5135 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.745 ns/day, 13.754 hours/ns, 20.196 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 48.878     | 48.878     | 48.878     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13858    | 0.13858    | 0.13858    |   0.0 |  0.28
Output  | 0.00020192 | 0.00020192 | 0.00020192 |   0.0 |  0.00
Modify  | 0.43029    | 0.43029    | 0.43029    |   0.0 |  0.87
Other   |            | 0.06665    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5386.00 ave        5386 max        5386 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136166.0 ave      136166 max      136166 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136166
Ave neighs/atom = 68.083000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.263941702043, Press = -2.39074151236193
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -7506.2869   -7506.2869   -7588.3053   -7588.3053     317.4198     317.4198    24007.916    24007.916   -1005.5259   -1005.5259 
   36000   -7509.8701   -7509.8701   -7588.8757   -7588.8757    305.75988    305.75988    23979.279    23979.279    942.70011    942.70011 
Loop time of 52.2541 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.653 ns/day, 14.515 hours/ns, 19.137 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    | 51.605     | 51.605     | 51.605     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14123    | 0.14123    | 0.14123    |   0.0 |  0.27
Output  | 0.00015331 | 0.00015331 | 0.00015331 |   0.0 |  0.00
Modify  | 0.43985    | 0.43985    | 0.43985    |   0.0 |  0.84
Other   |            | 0.06771    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5357.00 ave        5357 max        5357 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136174.0 ave      136174 max      136174 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136174
Ave neighs/atom = 68.087000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.338704044362, Press = -2.40060497105612
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -7509.8701   -7509.8701   -7588.8757   -7588.8757    305.75988    305.75988    23979.279    23979.279    942.70011    942.70011 
   37000   -7508.8991   -7508.8991   -7591.1658   -7591.1658    318.38075    318.38075      23973.7      23973.7    971.01158    971.01158 
Loop time of 51.5471 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.676 ns/day, 14.319 hours/ns, 19.400 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.892     | 50.892     | 50.892     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14226    | 0.14226    | 0.14226    |   0.0 |  0.28
Output  | 0.00019066 | 0.00019066 | 0.00019066 |   0.0 |  0.00
Modify  | 0.44527    | 0.44527    | 0.44527    |   0.0 |  0.86
Other   |            | 0.06717    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5362.00 ave        5362 max        5362 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136208.0 ave      136208 max      136208 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136208
Ave neighs/atom = 68.104000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.427195596885, Press = 1.28495661343526
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -7508.8991   -7508.8991   -7591.1658   -7591.1658    318.38075    318.38075      23973.7      23973.7    971.01158    971.01158 
   38000   -7510.1212   -7510.1212   -7590.3955   -7590.3955     310.6699     310.6699    24010.328    24010.328   -1538.6313   -1538.6313 
Loop time of 51.3184 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.684 ns/day, 14.255 hours/ns, 19.486 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    | 50.654     | 50.654     | 50.654     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14444    | 0.14444    | 0.14444    |   0.0 |  0.28
Output  | 0.00015336 | 0.00015336 | 0.00015336 |   0.0 |  0.00
Modify  | 0.4504     | 0.4504     | 0.4504     |   0.0 |  0.88
Other   |            | 0.06933    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5414.00 ave        5414 max        5414 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136184.0 ave      136184 max      136184 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136184
Ave neighs/atom = 68.092000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.423788240562, Press = 0.312773963572431
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -7510.1212   -7510.1212   -7590.3955   -7590.3955     310.6699     310.6699    24010.328    24010.328   -1538.6313   -1538.6313 
   39000   -7508.8348   -7508.8348   -7588.9529   -7588.9529    310.06536    310.06536    24040.364    24040.364    -3742.859    -3742.859 
Loop time of 52.5502 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.644 ns/day, 14.597 hours/ns, 19.029 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    | 51.914     | 51.914     | 51.914     |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13974    | 0.13974    | 0.13974    |   0.0 |  0.27
Output  | 0.00015401 | 0.00015401 | 0.00015401 |   0.0 |  0.00
Modify  | 0.42973    | 0.42973    | 0.42973    |   0.0 |  0.82
Other   |            | 0.06607    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5352.00 ave        5352 max        5352 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136161.0 ave      136161 max      136161 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136161
Ave neighs/atom = 68.080500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.446895129298, Press = -2.54158165327566
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -7508.8348   -7508.8348   -7588.9529   -7588.9529    310.06536    310.06536    24040.364    24040.364    -3742.859    -3742.859 
   40000   -7507.9983   -7507.9983   -7588.4881   -7588.4881    311.50369    311.50369    23979.852    23979.852    939.64579    939.64579 
Loop time of 50.746 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.703 ns/day, 14.096 hours/ns, 19.706 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.106     | 50.106     | 50.106     |   0.0 | 98.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1403     | 0.1403     | 0.1403     |   0.0 |  0.28
Output  | 0.00015582 | 0.00015582 | 0.00015582 |   0.0 |  0.00
Modify  | 0.43301    | 0.43301    | 0.43301    |   0.0 |  0.85
Other   |            | 0.06684    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5342.00 ave        5342 max        5342 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136155.0 ave      136155 max      136155 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136155
Ave neighs/atom = 68.077500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.377675282482, Press = -2.8666043586122
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -7507.9983   -7507.9983   -7588.4881   -7588.4881    311.50369    311.50369    23979.852    23979.852    939.64579    939.64579 
   41000   -7508.0103   -7508.0103   -7589.8464   -7589.8464     316.7141     316.7141    23970.939    23970.939    2359.5987    2359.5987 
Loop time of 47.0557 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.836 ns/day, 13.071 hours/ns, 21.251 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    | 46.489     | 46.489     | 46.489     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12865    | 0.12865    | 0.12865    |   0.0 |  0.27
Output  | 0.00015464 | 0.00015464 | 0.00015464 |   0.0 |  0.00
Modify  | 0.37521    | 0.37521    | 0.37521    |   0.0 |  0.80
Other   |            | 0.06265    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5399.00 ave        5399 max        5399 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136178.0 ave      136178 max      136178 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136178
Ave neighs/atom = 68.089000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.413635251256, Press = 0.659125488944316
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -7508.0103   -7508.0103   -7589.8464   -7589.8464     316.7141     316.7141    23970.939    23970.939    2359.5987    2359.5987 
   42000   -7506.3932   -7506.3932   -7587.0733   -7587.0733    312.24047    312.24047     24006.44     24006.44   -492.61702   -492.61702 
Loop time of 53.1862 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.624 ns/day, 14.774 hours/ns, 18.802 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 52.533     | 52.533     | 52.533     |   0.0 | 98.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14258    | 0.14258    | 0.14258    |   0.0 |  0.27
Output  | 0.00015683 | 0.00015683 | 0.00015683 |   0.0 |  0.00
Modify  | 0.44307    | 0.44307    | 0.44307    |   0.0 |  0.83
Other   |            | 0.06714    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5364.00 ave        5364 max        5364 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136225.0 ave      136225 max      136225 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136225
Ave neighs/atom = 68.112500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.424489201601, Press = 0.360438227957379
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -7506.3932   -7506.3932   -7587.0733   -7587.0733    312.24047    312.24047     24006.44     24006.44   -492.61702   -492.61702 
   43000   -7510.4999   -7510.4999   -7591.7588   -7591.7588    314.48031    314.48031    24005.593    24005.593   -940.95738   -940.95738 
Loop time of 51.623 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.674 ns/day, 14.340 hours/ns, 19.371 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.969     | 50.969     | 50.969     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1426     | 0.1426     | 0.1426     |   0.0 |  0.28
Output  | 0.00019412 | 0.00019412 | 0.00019412 |   0.0 |  0.00
Modify  | 0.44309    | 0.44309    | 0.44309    |   0.0 |  0.86
Other   |            | 0.06785    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5391.00 ave        5391 max        5391 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136190.0 ave      136190 max      136190 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136190
Ave neighs/atom = 68.095000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.483124323973, Press = -0.114222731027117
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -7510.4999   -7510.4999   -7591.7588   -7591.7588    314.48031    314.48031    24005.593    24005.593   -940.95738   -940.95738 
   44000   -7506.4047   -7506.4047   -7587.2544   -7587.2544    312.89647    312.89647    24023.795    24023.795   -1706.3813   -1706.3813 
Loop time of 41.3675 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.089 ns/day, 11.491 hours/ns, 24.174 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.825     | 40.825     | 40.825     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11987    | 0.11987    | 0.11987    |   0.0 |  0.29
Output  | 0.00015407 | 0.00015407 | 0.00015407 |   0.0 |  0.00
Modify  | 0.35625    | 0.35625    | 0.35625    |   0.0 |  0.86
Other   |            | 0.06573    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5375.00 ave        5375 max        5375 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136201.0 ave      136201 max      136201 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136201
Ave neighs/atom = 68.100500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.460611905228, Press = -2.24949728691875
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -7506.4047   -7506.4047   -7587.2544   -7587.2544    312.89647    312.89647    24023.795    24023.795   -1706.3813   -1706.3813 
   45000   -7511.0727   -7511.0727    -7590.295    -7590.295    306.59832    306.59832    23948.219    23948.219    2786.7164    2786.7164 
Loop time of 41.3137 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.091 ns/day, 11.476 hours/ns, 24.205 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.772     | 40.772     | 40.772     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11936    | 0.11936    | 0.11936    |   0.0 |  0.29
Output  | 0.00015297 | 0.00015297 | 0.00015297 |   0.0 |  0.00
Modify  | 0.35669    | 0.35669    | 0.35669    |   0.0 |  0.86
Other   |            | 0.06571    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5340.00 ave        5340 max        5340 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136193.0 ave      136193 max      136193 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136193
Ave neighs/atom = 68.096500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.456524315471, Press = -1.2449554112409
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -7511.0727   -7511.0727    -7590.295    -7590.295    306.59832    306.59832    23948.219    23948.219    2786.7164    2786.7164 
   46000   -7506.6168   -7506.6168   -7589.3143   -7589.3143    320.04776    320.04776    23990.693    23990.693    404.36144    404.36144 
Loop time of 41.3104 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.091 ns/day, 11.475 hours/ns, 24.207 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.767     | 40.767     | 40.767     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12074    | 0.12074    | 0.12074    |   0.0 |  0.29
Output  | 0.00015319 | 0.00015319 | 0.00015319 |   0.0 |  0.00
Modify  | 0.35583    | 0.35583    | 0.35583    |   0.0 |  0.86
Other   |            | 0.06621    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5394.00 ave        5394 max        5394 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136252.0 ave      136252 max      136252 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136252
Ave neighs/atom = 68.126000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.432680730152, Press = 0.628131000250695
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -7506.6168   -7506.6168   -7589.3143   -7589.3143    320.04776    320.04776    23990.693    23990.693    404.36144    404.36144 
   47000     -7513.97     -7513.97    -7592.524    -7592.524    304.01187    304.01187    24002.239    24002.239   -1745.5329   -1745.5329 
Loop time of 41.2238 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.096 ns/day, 11.451 hours/ns, 24.258 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.683     | 40.683     | 40.683     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11884    | 0.11884    | 0.11884    |   0.0 |  0.29
Output  | 0.00015345 | 0.00015345 | 0.00015345 |   0.0 |  0.00
Modify  | 0.35534    | 0.35534    | 0.35534    |   0.0 |  0.86
Other   |            | 0.06612    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5336.00 ave        5336 max        5336 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136180.0 ave      136180 max      136180 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136180
Ave neighs/atom = 68.090000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.398073726688, Press = -1.14978438279917
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000     -7513.97     -7513.97    -7592.524    -7592.524    304.01187    304.01187    24002.239    24002.239   -1745.5329   -1745.5329 
   48000   -7506.7691   -7506.7691   -7589.2165   -7589.2165    319.08004    319.08004     23995.31     23995.31   -79.991086   -79.991086 
Loop time of 41.2565 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.094 ns/day, 11.460 hours/ns, 24.239 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    | 40.715     | 40.715     | 40.715     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11981    | 0.11981    | 0.11981    |   0.0 |  0.29
Output  | 0.0001518  | 0.0001518  | 0.0001518  |   0.0 |  0.00
Modify  | 0.35546    | 0.35546    | 0.35546    |   0.0 |  0.86
Other   |            | 0.06593    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5374.00 ave        5374 max        5374 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136168.0 ave      136168 max      136168 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136168
Ave neighs/atom = 68.084000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.387045576509, Press = -1.64284782544034
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -7506.7691   -7506.7691   -7589.2165   -7589.2165    319.08004    319.08004     23995.31     23995.31   -79.991086   -79.991086 
   49000   -7507.3703   -7507.3703   -7588.9771   -7588.9771    315.82681    315.82681    23887.726    23887.726     8065.152     8065.152 
Loop time of 41.255 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.094 ns/day, 11.460 hours/ns, 24.239 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    | 40.713     | 40.713     | 40.713     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12093    | 0.12093    | 0.12093    |   0.0 |  0.29
Output  | 0.00015596 | 0.00015596 | 0.00015596 |   0.0 |  0.00
Modify  | 0.35513    | 0.35513    | 0.35513    |   0.0 |  0.86
Other   |            | 0.06602    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5404.00 ave        5404 max        5404 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136173.0 ave      136173 max      136173 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136173
Ave neighs/atom = 68.086500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.399104785545, Press = 0.053115206455038
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -7507.3703   -7507.3703   -7588.9771   -7588.9771    315.82681    315.82681    23887.726    23887.726     8065.152     8065.152 
   50000   -7511.7219   -7511.7219   -7589.9303   -7589.9303    302.67491    302.67491    23992.992    23992.992   -211.87185   -211.87185 
Loop time of 47.4926 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.819 ns/day, 13.192 hours/ns, 21.056 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    | 46.885     | 46.885     | 46.885     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1346     | 0.1346     | 0.1346     |   0.0 |  0.28
Output  | 0.00020141 | 0.00020141 | 0.00020141 |   0.0 |  0.00
Modify  | 0.40533    | 0.40533    | 0.40533    |   0.0 |  0.85
Other   |            | 0.06766    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5436.00 ave        5436 max        5436 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136299.0 ave      136299 max      136299 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136299
Ave neighs/atom = 68.149500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.407019353009, Press = 0.824117696761332
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -7511.7219   -7511.7219   -7589.9303   -7589.9303    302.67491    302.67491    23992.992    23992.992   -211.87185   -211.87185 
   51000   -7507.3003   -7507.3003   -7587.9143   -7587.9143    311.98466    311.98466    24025.141    24025.141   -2010.2393   -2010.2393 
Loop time of 51.7076 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.671 ns/day, 14.363 hours/ns, 19.340 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.053     | 51.053     | 51.053     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14372    | 0.14372    | 0.14372    |   0.0 |  0.28
Output  | 0.00019356 | 0.00019356 | 0.00019356 |   0.0 |  0.00
Modify  | 0.4433     | 0.4433     | 0.4433     |   0.0 |  0.86
Other   |            | 0.06766    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5402.00 ave        5402 max        5402 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136200.0 ave      136200 max      136200 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136200
Ave neighs/atom = 68.100000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.360120406406, Press = -0.661314789286282
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -7507.3003   -7507.3003   -7587.9143   -7587.9143    311.98466    311.98466    24025.141    24025.141   -2010.2393   -2010.2393 
   52000   -7509.7532   -7509.7532   -7590.4924   -7590.4924    312.46913    312.46913    24011.628    24011.628    -1241.986    -1241.986 
Loop time of 48.3015 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.789 ns/day, 13.417 hours/ns, 20.703 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 47.711     | 47.711     | 47.711     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13309    | 0.13309    | 0.13309    |   0.0 |  0.28
Output  | 0.00014312 | 0.00014312 | 0.00014312 |   0.0 |  0.00
Modify  | 0.39273    | 0.39273    | 0.39273    |   0.0 |  0.81
Other   |            | 0.06481    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5368.00 ave        5368 max        5368 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136154.0 ave      136154 max      136154 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136154
Ave neighs/atom = 68.077000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.358290903925, Press = -0.923527984341017
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -7509.7532   -7509.7532   -7590.4924   -7590.4924    312.46913    312.46913    24011.628    24011.628    -1241.986    -1241.986 
   53000    -7506.377    -7506.377   -7588.3674   -7588.3674    317.31121    317.31121    23992.579    23992.579   -26.470233   -26.470233 
Loop time of 41.0768 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.103 ns/day, 11.410 hours/ns, 24.345 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.537     | 40.537     | 40.537     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11992    | 0.11992    | 0.11992    |   0.0 |  0.29
Output  | 0.00015294 | 0.00015294 | 0.00015294 |   0.0 |  0.00
Modify  | 0.3534     | 0.3534     | 0.3534     |   0.0 |  0.86
Other   |            | 0.06672    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5384.00 ave        5384 max        5384 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136181.0 ave      136181 max      136181 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136181
Ave neighs/atom = 68.090500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.383701078728, Press = -0.417591452148483
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000    -7506.377    -7506.377   -7588.3674   -7588.3674    317.31121    317.31121    23992.579    23992.579   -26.470233   -26.470233 
   54000    -7506.942    -7506.942   -7587.4345   -7587.4345    311.51439    311.51439    23993.744    23993.744    486.69112    486.69112 
Loop time of 41.1834 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.098 ns/day, 11.440 hours/ns, 24.282 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.644     | 40.644     | 40.644     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11957    | 0.11957    | 0.11957    |   0.0 |  0.29
Output  | 0.00015191 | 0.00015191 | 0.00015191 |   0.0 |  0.00
Modify  | 0.35362    | 0.35362    | 0.35362    |   0.0 |  0.86
Other   |            | 0.06659    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5396.00 ave        5396 max        5396 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136192.0 ave      136192 max      136192 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136192
Ave neighs/atom = 68.096000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.393516084711, Press = 0.21589027596551
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000    -7506.942    -7506.942   -7587.4345   -7587.4345    311.51439    311.51439    23993.744    23993.744    486.69112    486.69112 
   55000   -7508.8344   -7508.8344   -7591.0833   -7591.0833    318.31179    318.31179    24015.719    24015.719   -2050.2089   -2050.2089 
Loop time of 41.1625 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.099 ns/day, 11.434 hours/ns, 24.294 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.623     | 40.623     | 40.623     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11949    | 0.11949    | 0.11949    |   0.0 |  0.29
Output  | 0.00018935 | 0.00018935 | 0.00018935 |   0.0 |  0.00
Modify  | 0.35318    | 0.35318    | 0.35318    |   0.0 |  0.86
Other   |            | 0.06618    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5377.00 ave        5377 max        5377 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136215.0 ave      136215 max      136215 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136215
Ave neighs/atom = 68.107500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.456391517335, Press = -0.375452417491753
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -7508.8344   -7508.8344   -7591.0833   -7591.0833    318.31179    318.31179    24015.719    24015.719   -2050.2089   -2050.2089 
   56000   -7507.8391   -7507.8391   -7588.4062   -7588.4062    311.80275    311.80275    23991.667    23991.667    665.21205    665.21205 
Loop time of 41.1127 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.102 ns/day, 11.420 hours/ns, 24.323 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.572     | 40.572     | 40.572     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1199     | 0.1199     | 0.1199     |   0.0 |  0.29
Output  | 0.00015248 | 0.00015248 | 0.00015248 |   0.0 |  0.00
Modify  | 0.3541     | 0.3541     | 0.3541     |   0.0 |  0.86
Other   |            | 0.06641    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5380.00 ave        5380 max        5380 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136135.0 ave      136135 max      136135 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136135
Ave neighs/atom = 68.067500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.467149382247, Press = -1.69235841736374
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -7507.8391   -7507.8391   -7588.4062   -7588.4062    311.80275    311.80275    23991.667    23991.667    665.21205    665.21205 
   57000   -7511.5076   -7511.5076   -7590.8599   -7590.8599    307.10144    307.10144    23949.063    23949.063    3289.5512    3289.5512 
Loop time of 41.1236 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.101 ns/day, 11.423 hours/ns, 24.317 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.584     | 40.584     | 40.584     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11924    | 0.11924    | 0.11924    |   0.0 |  0.29
Output  | 0.00015352 | 0.00015352 | 0.00015352 |   0.0 |  0.00
Modify  | 0.35406    | 0.35406    | 0.35406    |   0.0 |  0.86
Other   |            | 0.0662     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5352.00 ave        5352 max        5352 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136198.0 ave      136198 max      136198 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136198
Ave neighs/atom = 68.099000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.437668943417, Press = -0.771277175741142
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -7511.5076   -7511.5076   -7590.8599   -7590.8599    307.10144    307.10144    23949.063    23949.063    3289.5512    3289.5512 
   58000   -7506.2319   -7506.2319   -7587.8928   -7587.8928    316.03614    316.03614    23976.145    23976.145    1417.2447    1417.2447 
Loop time of 41.1298 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.101 ns/day, 11.425 hours/ns, 24.313 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.588     | 40.588     | 40.588     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11972    | 0.11972    | 0.11972    |   0.0 |  0.29
Output  | 0.00015244 | 0.00015244 | 0.00015244 |   0.0 |  0.00
Modify  | 0.35372    | 0.35372    | 0.35372    |   0.0 |  0.86
Other   |            | 0.0681     |            |       |  0.17

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5406.00 ave        5406 max        5406 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136257.0 ave      136257 max      136257 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136257
Ave neighs/atom = 68.128500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.409458765808, Press = 1.55663669636244
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -7506.2319   -7506.2319   -7587.8928   -7587.8928    316.03614    316.03614    23976.145    23976.145    1417.2447    1417.2447 
   59000   -7511.0302   -7511.0302   -7589.1106   -7589.1106    302.17909    302.17909    24021.198    24021.198   -2081.3611   -2081.3611 
Loop time of 45.7961 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.887 ns/day, 12.721 hours/ns, 21.836 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.204     | 45.204     | 45.204     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12975    | 0.12975    | 0.12975    |   0.0 |  0.28
Output  | 0.00015614 | 0.00015614 | 0.00015614 |   0.0 |  0.00
Modify  | 0.39421    | 0.39421    | 0.39421    |   0.0 |  0.86
Other   |            | 0.06771    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5384.00 ave        5384 max        5384 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136228.0 ave      136228 max      136228 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136228
Ave neighs/atom = 68.114000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.375815303178, Press = -0.247999827760571
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -7511.0302   -7511.0302   -7589.1106   -7589.1106    302.17909    302.17909    24021.198    24021.198   -2081.3611   -2081.3611 
   60000   -7504.9057   -7504.9057   -7588.2232   -7588.2232    322.44743    322.44743     24005.75     24005.75   -446.16966   -446.16966 
Loop time of 51.6471 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.673 ns/day, 14.346 hours/ns, 19.362 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    | 50.99      | 50.99      | 50.99      |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14354    | 0.14354    | 0.14354    |   0.0 |  0.28
Output  | 0.0001545  | 0.0001545  | 0.0001545  |   0.0 |  0.00
Modify  | 0.44601    | 0.44601    | 0.44601    |   0.0 |  0.86
Other   |            | 0.06778    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5341.00 ave        5341 max        5341 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136184.0 ave      136184 max      136184 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136184
Ave neighs/atom = 68.092000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.394849138006, Press = -0.410738889327628
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -7504.9057   -7504.9057   -7588.2232   -7588.2232    322.44743    322.44743     24005.75     24005.75   -446.16966   -446.16966 
   61000   -7508.6316   -7508.6316   -7588.1706   -7588.1706    307.82437    307.82437    23978.804    23978.804     1306.448     1306.448 
Loop time of 51.1975 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.688 ns/day, 14.222 hours/ns, 19.532 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.541     | 50.541     | 50.541     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14375    | 0.14375    | 0.14375    |   0.0 |  0.28
Output  | 0.00018847 | 0.00018847 | 0.00018847 |   0.0 |  0.00
Modify  | 0.44433    | 0.44433    | 0.44433    |   0.0 |  0.87
Other   |            | 0.0682     |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5404.00 ave        5404 max        5404 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136197.0 ave      136197 max      136197 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136197
Ave neighs/atom = 68.098500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.427126500158, Press = -0.530346959879282
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -7508.6316   -7508.6316   -7588.1706   -7588.1706    307.82437    307.82437    23978.804    23978.804     1306.448     1306.448 
   62000   -7508.7336   -7508.7336   -7589.7576   -7589.7576    313.57149    313.57149    23981.952    23981.952    1311.4969    1311.4969 
Loop time of 48.559 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.779 ns/day, 13.489 hours/ns, 20.593 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 47.957     | 47.957     | 47.957     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13405    | 0.13405    | 0.13405    |   0.0 |  0.28
Output  | 0.00015535 | 0.00015535 | 0.00015535 |   0.0 |  0.00
Modify  | 0.4028     | 0.4028     | 0.4028     |   0.0 |  0.83
Other   |            | 0.06536    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5404.00 ave        5404 max        5404 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136247.0 ave      136247 max      136247 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136247
Ave neighs/atom = 68.123500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.492365753888, Press = 1.70751083365926
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -7508.7336   -7508.7336   -7589.7576   -7589.7576    313.57149    313.57149    23981.952    23981.952    1311.4969    1311.4969 
   63000   -7506.7111   -7506.7111   -7589.1129   -7589.1129    318.90359    318.90359    24058.767    24058.767   -5061.8374   -5061.8374 
Loop time of 45.8565 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.884 ns/day, 12.738 hours/ns, 21.807 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.311     | 45.311     | 45.311     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12456    | 0.12456    | 0.12456    |   0.0 |  0.27
Output  | 0.00015476 | 0.00015476 | 0.00015476 |   0.0 |  0.00
Modify  | 0.3576     | 0.3576     | 0.3576     |   0.0 |  0.78
Other   |            | 0.06278    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5371.00 ave        5371 max        5371 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136207.0 ave      136207 max      136207 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136207
Ave neighs/atom = 68.103500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.504117824533, Press = 0.171996986161951
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -7506.7111   -7506.7111   -7589.1129   -7589.1129    318.90359    318.90359    24058.767    24058.767   -5061.8374   -5061.8374 
   64000   -7509.1313   -7509.1313   -7590.7764   -7590.7764    315.97494    315.97494    24004.243    24004.243   -974.47268   -974.47268 
Loop time of 45.3457 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.905 ns/day, 12.596 hours/ns, 22.053 timesteps/s
100.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.803     | 44.803     | 44.803     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12272    | 0.12272    | 0.12272    |   0.0 |  0.27
Output  | 0.00015357 | 0.00015357 | 0.00015357 |   0.0 |  0.00
Modify  | 0.3577     | 0.3577     | 0.3577     |   0.0 |  0.79
Other   |            | 0.06241    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5323.00 ave        5323 max        5323 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136145.0 ave      136145 max      136145 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136145
Ave neighs/atom = 68.072500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.458227033746, Press = -1.3072251029823
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -7509.1313   -7509.1313   -7590.7764   -7590.7764    315.97494    315.97494    24004.243    24004.243   -974.47268   -974.47268 
   65000   -7508.7856   -7508.7856   -7589.4558   -7589.4558    312.20189    312.20189    24003.714    24003.714   -839.41108   -839.41108 
Loop time of 44.7766 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.930 ns/day, 12.438 hours/ns, 22.333 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    | 44.232     | 44.232     | 44.232     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12409    | 0.12409    | 0.12409    |   0.0 |  0.28
Output  | 0.00015498 | 0.00015498 | 0.00015498 |   0.0 |  0.00
Modify  | 0.35786    | 0.35786    | 0.35786    |   0.0 |  0.80
Other   |            | 0.0624     |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5386.00 ave        5386 max        5386 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136158.0 ave      136158 max      136158 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136158
Ave neighs/atom = 68.079000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.4641057344, Press = -0.837558754146215
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -7508.7856   -7508.7856   -7589.4558   -7589.4558    312.20189    312.20189    24003.714    24003.714   -839.41108   -839.41108 
   66000   -7509.3743   -7509.3743   -7590.5882   -7590.5882    314.30613    314.30613    23970.382    23970.382    1466.7806    1466.7806 
Loop time of 44.689 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.933 ns/day, 12.414 hours/ns, 22.377 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.144     | 44.144     | 44.144     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12401    | 0.12401    | 0.12401    |   0.0 |  0.28
Output  | 0.00020762 | 0.00020762 | 0.00020762 |   0.0 |  0.00
Modify  | 0.35715    | 0.35715    | 0.35715    |   0.0 |  0.80
Other   |            | 0.06313    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5368.00 ave        5368 max        5368 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136198.0 ave      136198 max      136198 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136198
Ave neighs/atom = 68.099000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.426219254, Press = -0.739735461146221
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -7509.3743   -7509.3743   -7590.5882   -7590.5882    314.30613    314.30613    23970.382    23970.382    1466.7806    1466.7806 
   67000   -7505.2683   -7505.2683   -7588.8432   -7588.8432    323.44371    323.44371    23950.325    23950.325    3569.2747    3569.2747 
Loop time of 44.7813 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.929 ns/day, 12.439 hours/ns, 22.331 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.236     | 44.236     | 44.236     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12473    | 0.12473    | 0.12473    |   0.0 |  0.28
Output  | 0.00015525 | 0.00015525 | 0.00015525 |   0.0 |  0.00
Modify  | 0.35696    | 0.35696    | 0.35696    |   0.0 |  0.80
Other   |            | 0.06369    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5369.00 ave        5369 max        5369 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136197.0 ave      136197 max      136197 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136197
Ave neighs/atom = 68.098500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.438601755887, Press = 1.03913710354161
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -7505.2683   -7505.2683   -7588.8432   -7588.8432    323.44371    323.44371    23950.325    23950.325    3569.2747    3569.2747 
   68000   -7510.1672   -7510.1672   -7589.8395   -7589.8395    308.33995    308.33995    23995.694    23995.694   -717.53392   -717.53392 
Loop time of 44.8743 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.925 ns/day, 12.465 hours/ns, 22.284 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.33      | 44.33      | 44.33      |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12521    | 0.12521    | 0.12521    |   0.0 |  0.28
Output  | 0.00015476 | 0.00015476 | 0.00015476 |   0.0 |  0.00
Modify  | 0.35569    | 0.35569    | 0.35569    |   0.0 |  0.79
Other   |            | 0.06321    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5370.00 ave        5370 max        5370 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136224.0 ave      136224 max      136224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136224
Ave neighs/atom = 68.112000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.454294335956, Press = 0.296504920877504
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -7510.1672   -7510.1672   -7589.8395   -7589.8395    308.33995    308.33995    23995.694    23995.694   -717.53392   -717.53392 
   69000   -7507.1665   -7507.1665   -7589.9665   -7589.9665     320.4447     320.4447    24004.186    24004.186   -849.78829   -849.78829 
Loop time of 44.8141 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.928 ns/day, 12.448 hours/ns, 22.314 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    | 44.268     | 44.268     | 44.268     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12431    | 0.12431    | 0.12431    |   0.0 |  0.28
Output  | 0.0001543  | 0.0001543  | 0.0001543  |   0.0 |  0.00
Modify  | 0.35835    | 0.35835    | 0.35835    |   0.0 |  0.80
Other   |            | 0.06287    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5375.00 ave        5375 max        5375 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136174.0 ave      136174 max      136174 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136174
Ave neighs/atom = 68.087000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.433761727555, Press = -0.44543573188038
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -7507.1665   -7507.1665   -7589.9665   -7589.9665     320.4447     320.4447    24004.186    24004.186   -849.78829   -849.78829 
   70000   -7514.2158   -7514.2158   -7593.0861   -7593.0861    305.23629    305.23629    23975.307    23975.307    836.25399    836.25399 
Loop time of 44.981 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.921 ns/day, 12.495 hours/ns, 22.232 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    | 44.433     | 44.433     | 44.433     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12396    | 0.12396    | 0.12396    |   0.0 |  0.28
Output  | 0.00015405 | 0.00015405 | 0.00015405 |   0.0 |  0.00
Modify  | 0.36143    | 0.36143    | 0.36143    |   0.0 |  0.80
Other   |            | 0.06273    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5373.00 ave        5373 max        5373 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136194.0 ave      136194 max      136194 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136194
Ave neighs/atom = 68.097000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.426318878373, Press = -0.0721094884932651
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -7514.2158   -7514.2158   -7593.0861   -7593.0861    305.23629    305.23629    23975.307    23975.307    836.25399    836.25399 
   71000   -7505.3633   -7505.3633   -7586.7662   -7586.7662     315.0379     315.0379    24015.373    24015.373    -892.4037    -892.4037 
Loop time of 44.7213 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.932 ns/day, 12.423 hours/ns, 22.361 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.175     | 44.175     | 44.175     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12527    | 0.12527    | 0.12527    |   0.0 |  0.28
Output  | 0.00015384 | 0.00015384 | 0.00015384 |   0.0 |  0.00
Modify  | 0.35787    | 0.35787    | 0.35787    |   0.0 |  0.80
Other   |            | 0.06283    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5388.00 ave        5388 max        5388 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136161.0 ave      136161 max      136161 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136161
Ave neighs/atom = 68.080500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.403568763842, Press = 0.898383393663641
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -7505.3633   -7505.3633   -7586.7662   -7586.7662     315.0379     315.0379    24015.373    24015.373    -892.4037    -892.4037 
   72000   -7508.9904   -7508.9904   -7588.5605   -7588.5605    307.94439    307.94439     24035.96     24035.96   -3032.2215   -3032.2215 
Loop time of 45.4406 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.901 ns/day, 12.622 hours/ns, 22.007 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.889     | 44.889     | 44.889     |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12548    | 0.12548    | 0.12548    |   0.0 |  0.28
Output  | 0.00015706 | 0.00015706 | 0.00015706 |   0.0 |  0.00
Modify  | 0.36206    | 0.36206    | 0.36206    |   0.0 |  0.80
Other   |            | 0.06358    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5384.00 ave        5384 max        5384 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136200.0 ave      136200 max      136200 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136200
Ave neighs/atom = 68.100000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.436014251888, Press = -0.937357111213667
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -7508.9904   -7508.9904   -7588.5605   -7588.5605    307.94439    307.94439     24035.96     24035.96   -3032.2215   -3032.2215 
   73000   -7502.3629   -7502.3629   -7586.7941   -7586.7941    326.75759    326.75759    23983.496    23983.496    969.59923    969.59923 
Loop time of 42.3817 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.039 ns/day, 11.773 hours/ns, 23.595 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.831     | 41.831     | 41.831     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12207    | 0.12207    | 0.12207    |   0.0 |  0.29
Output  | 0.00015319 | 0.00015319 | 0.00015319 |   0.0 |  0.00
Modify  | 0.36147    | 0.36147    | 0.36147    |   0.0 |  0.85
Other   |            | 0.06741    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5373.00 ave        5373 max        5373 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136159.0 ave      136159 max      136159 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136159
Ave neighs/atom = 68.079500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.480399987069, Press = -1.34598669701477
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -7502.3629   -7502.3629   -7586.7941   -7586.7941    326.75759    326.75759    23983.496    23983.496    969.59923    969.59923 
   74000   -7509.7962   -7509.7962   -7588.3346   -7588.3346    303.95184    303.95184     23969.94     23969.94    1902.1481    1902.1481 
Loop time of 42.4186 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.037 ns/day, 11.783 hours/ns, 23.575 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    | 41.866     | 41.866     | 41.866     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1219     | 0.1219     | 0.1219     |   0.0 |  0.29
Output  | 0.00020077 | 0.00020077 | 0.00020077 |   0.0 |  0.00
Modify  | 0.36435    | 0.36435    | 0.36435    |   0.0 |  0.86
Other   |            | 0.06655    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5368.00 ave        5368 max        5368 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136215.0 ave      136215 max      136215 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136215
Ave neighs/atom = 68.107500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.505712003821, Press = -0.280829830690934
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -7509.7962   -7509.7962   -7588.3346   -7588.3346    303.95184    303.95184     23969.94     23969.94    1902.1481    1902.1481 
   75000   -7504.9762   -7504.9762   -7585.9479   -7585.9479    313.36887    313.36887    23999.887    23999.887    451.18461    451.18461 
Loop time of 41.1249 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.101 ns/day, 11.424 hours/ns, 24.316 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    | 40.585     | 40.585     | 40.585     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11958    | 0.11958    | 0.11958    |   0.0 |  0.29
Output  | 0.00015242 | 0.00015242 | 0.00015242 |   0.0 |  0.00
Modify  | 0.35378    | 0.35378    | 0.35378    |   0.0 |  0.86
Other   |            | 0.06593    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5377.00 ave        5377 max        5377 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136226.0 ave      136226 max      136226 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136226
Ave neighs/atom = 68.113000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.541750459422, Press = 0.0359712936458562
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -7504.9762   -7504.9762   -7585.9479   -7585.9479    313.36887    313.36887    23999.887    23999.887    451.18461    451.18461 
   76000    -7509.115    -7509.115   -7588.9449   -7588.9449    308.94992    308.94992    24012.233    24012.233   -1901.4726   -1901.4726 
Loop time of 43.1118 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.004 ns/day, 11.976 hours/ns, 23.195 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    | 42.572     | 42.572     | 42.572     |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12173    | 0.12173    | 0.12173    |   0.0 |  0.28
Output  | 0.00015462 | 0.00015462 | 0.00015462 |   0.0 |  0.00
Modify  | 0.35289    | 0.35289    | 0.35289    |   0.0 |  0.82
Other   |            | 0.06473    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5374.00 ave        5374 max        5374 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136237.0 ave      136237 max      136237 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136237
Ave neighs/atom = 68.118500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.554914231094, Press = -1.34789076241806
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000    -7509.115    -7509.115   -7588.9449   -7588.9449    308.94992    308.94992    24012.233    24012.233   -1901.4726   -1901.4726 
   77000   -7510.1721   -7510.1721   -7590.1349   -7590.1349    309.46397    309.46397    23925.473    23925.473    5205.7693    5205.7693 
Loop time of 42.3217 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.042 ns/day, 11.756 hours/ns, 23.629 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.777     | 41.777     | 41.777     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1214     | 0.1214     | 0.1214     |   0.0 |  0.29
Output  | 0.00015339 | 0.00015339 | 0.00015339 |   0.0 |  0.00
Modify  | 0.35701    | 0.35701    | 0.35701    |   0.0 |  0.84
Other   |            | 0.06578    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5362.00 ave        5362 max        5362 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136187.0 ave      136187 max      136187 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136187
Ave neighs/atom = 68.093500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.576770042781, Press = -0.518850655954235
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000   -7510.1721   -7510.1721   -7590.1349   -7590.1349    309.46397    309.46397    23925.473    23925.473    5205.7693    5205.7693 
   78000   -7507.1667   -7507.1667   -7588.9068   -7588.9068    316.34247    316.34247    23976.182    23976.182    1347.6033    1347.6033 
Loop time of 41.5492 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.079 ns/day, 11.541 hours/ns, 24.068 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.004     | 41.004     | 41.004     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12196    | 0.12196    | 0.12196    |   0.0 |  0.29
Output  | 0.0001542  | 0.0001542  | 0.0001542  |   0.0 |  0.00
Modify  | 0.35619    | 0.35619    | 0.35619    |   0.0 |  0.86
Other   |            | 0.06671    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5378.00 ave        5378 max        5378 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136268.0 ave      136268 max      136268 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136268
Ave neighs/atom = 68.134000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.593019219796, Press = 0.319166694459887
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   78000   -7507.1667   -7507.1667   -7588.9068   -7588.9068    316.34247    316.34247    23976.182    23976.182    1347.6033    1347.6033 
   79000    -7506.401    -7506.401   -7588.1919   -7588.1919    316.53909    316.53909    23990.888    23990.888    184.74942    184.74942 
Loop time of 41.0327 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.106 ns/day, 11.398 hours/ns, 24.371 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.493     | 40.493     | 40.493     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12004    | 0.12004    | 0.12004    |   0.0 |  0.29
Output  | 0.00015295 | 0.00015295 | 0.00015295 |   0.0 |  0.00
Modify  | 0.35331    | 0.35331    | 0.35331    |   0.0 |  0.86
Other   |            | 0.0659     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5390.00 ave        5390 max        5390 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136169.0 ave      136169 max      136169 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136169
Ave neighs/atom = 68.084500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.581283939664, Press = 0.37932468476715
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   79000    -7506.401    -7506.401   -7588.1919   -7588.1919    316.53909    316.53909    23990.888    23990.888    184.74942    184.74942 
   80000   -7509.4025   -7509.4025   -7589.4691   -7589.4691    309.86601    309.86601    23999.963    23999.963   -196.76898   -196.76898 
Loop time of 40.9798 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.108 ns/day, 11.383 hours/ns, 24.402 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.44      | 40.44      | 40.44      |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11928    | 0.11928    | 0.11928    |   0.0 |  0.29
Output  | 0.0001515  | 0.0001515  | 0.0001515  |   0.0 |  0.00
Modify  | 0.35485    | 0.35485    | 0.35485    |   0.0 |  0.87
Other   |            | 0.06602    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5365.00 ave        5365 max        5365 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136195.0 ave      136195 max      136195 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136195
Ave neighs/atom = 68.097500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.580175069982, Press = 0.466756396572587
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   80000   -7509.4025   -7509.4025   -7589.4691   -7589.4691    309.86601    309.86601    23999.963    23999.963   -196.76898   -196.76898 
   81000   -7505.3074   -7505.3074   -7586.9851   -7586.9851     316.1013     316.1013    24000.239    24000.239    127.38217    127.38217 
Loop time of 40.979 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.108 ns/day, 11.383 hours/ns, 24.403 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.441     | 40.441     | 40.441     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11882    | 0.11882    | 0.11882    |   0.0 |  0.29
Output  | 0.00015519 | 0.00015519 | 0.00015519 |   0.0 |  0.00
Modify  | 0.35281    | 0.35281    | 0.35281    |   0.0 |  0.86
Other   |            | 0.06612    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5369.00 ave        5369 max        5369 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136190.0 ave      136190 max      136190 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136190
Ave neighs/atom = 68.095000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.598054713086, Press = -0.678574015652629
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   81000   -7505.3074   -7505.3074   -7586.9851   -7586.9851     316.1013     316.1013    24000.239    24000.239    127.38217    127.38217 
   82000   -7507.7997   -7507.7997   -7590.1102   -7590.1102     318.5503     318.5503    23971.053    23971.053    1452.9779    1452.9779 
Loop time of 41.0084 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.107 ns/day, 11.391 hours/ns, 24.385 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.473     | 40.473     | 40.473     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1184     | 0.1184     | 0.1184     |   0.0 |  0.29
Output  | 0.00015089 | 0.00015089 | 0.00015089 |   0.0 |  0.00
Modify  | 0.34976    | 0.34976    | 0.34976    |   0.0 |  0.85
Other   |            | 0.06733    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5363.00 ave        5363 max        5363 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136200.0 ave      136200 max      136200 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136200
Ave neighs/atom = 68.100000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.616626726426, Press = -0.191954448607436
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   82000   -7507.7997   -7507.7997   -7590.1102   -7590.1102     318.5503     318.5503    23971.053    23971.053    1452.9779    1452.9779 
   83000   -7508.0306   -7508.0306   -7587.1708   -7587.1708    306.28084    306.28084    23958.613    23958.613    2718.4978    2718.4978 
Loop time of 41.0126 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.107 ns/day, 11.392 hours/ns, 24.383 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.476     | 40.476     | 40.476     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11939    | 0.11939    | 0.11939    |   0.0 |  0.29
Output  | 0.00015295 | 0.00015295 | 0.00015295 |   0.0 |  0.00
Modify  | 0.35007    | 0.35007    | 0.35007    |   0.0 |  0.85
Other   |            | 0.06676    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5387.00 ave        5387 max        5387 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136176.0 ave      136176 max      136176 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136176
Ave neighs/atom = 68.088000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.655139831978, Press = -0.0885682104816099
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   83000   -7508.0306   -7508.0306   -7587.1708   -7587.1708    306.28084    306.28084    23958.613    23958.613    2718.4978    2718.4978 
   84000   -7511.2558   -7511.2558   -7592.6319   -7592.6319    314.93386    314.93386    23976.102    23976.102    1026.3439    1026.3439 
Loop time of 41.0053 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.107 ns/day, 11.390 hours/ns, 24.387 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.467     | 40.467     | 40.467     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11952    | 0.11952    | 0.11952    |   0.0 |  0.29
Output  | 0.00015255 | 0.00015255 | 0.00015255 |   0.0 |  0.00
Modify  | 0.35176    | 0.35176    | 0.35176    |   0.0 |  0.86
Other   |            | 0.06703    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5388.00 ave        5388 max        5388 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136246.0 ave      136246 max      136246 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136246
Ave neighs/atom = 68.123000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.637822977646, Press = 0.759645639613133
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   84000   -7511.2558   -7511.2558   -7592.6319   -7592.6319    314.93386    314.93386    23976.102    23976.102    1026.3439    1026.3439 
   85000   -7508.9939   -7508.9939   -7589.4835   -7589.4835    311.50282    311.50282    24015.104    24015.104   -1731.2127   -1731.2127 
Loop time of 40.9406 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.110 ns/day, 11.372 hours/ns, 24.426 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.4       | 40.4       | 40.4       |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11949    | 0.11949    | 0.11949    |   0.0 |  0.29
Output  | 0.0001541  | 0.0001541  | 0.0001541  |   0.0 |  0.00
Modify  | 0.35386    | 0.35386    | 0.35386    |   0.0 |  0.86
Other   |            | 0.06709    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5393.00 ave        5393 max        5393 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136169.0 ave      136169 max      136169 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136169
Ave neighs/atom = 68.084500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.630973108357, Press = -0.171740817428744
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   85000   -7508.9939   -7508.9939   -7589.4835   -7589.4835    311.50282    311.50282    24015.104    24015.104   -1731.2127   -1731.2127 
   86000   -7506.6465   -7506.6465   -7587.8604   -7587.8604    314.30641    314.30641    24020.318    24020.318   -1361.9433   -1361.9433 
Loop time of 41.1884 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.098 ns/day, 11.441 hours/ns, 24.279 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    | 40.648     | 40.648     | 40.648     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12069    | 0.12069    | 0.12069    |   0.0 |  0.29
Output  | 0.0001529  | 0.0001529  | 0.0001529  |   0.0 |  0.00
Modify  | 0.35288    | 0.35288    | 0.35288    |   0.0 |  0.86
Other   |            | 0.06679    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5375.00 ave        5375 max        5375 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136169.0 ave      136169 max      136169 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136169
Ave neighs/atom = 68.084500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.620229386121, Press = -0.774448405022938
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   86000   -7506.6465   -7506.6465   -7587.8604   -7587.8604    314.30641    314.30641    24020.318    24020.318   -1361.9433   -1361.9433 
   87000   -7513.3114   -7513.3114   -7592.1389   -7592.1389    305.07067    305.07067    23958.725    23958.725    1986.8214    1986.8214 
Loop time of 41.086 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.103 ns/day, 11.413 hours/ns, 24.339 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.546     | 40.546     | 40.546     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1197     | 0.1197     | 0.1197     |   0.0 |  0.29
Output  | 0.00015556 | 0.00015556 | 0.00015556 |   0.0 |  0.00
Modify  | 0.35246    | 0.35246    | 0.35246    |   0.0 |  0.86
Other   |            | 0.0676     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5384.00 ave        5384 max        5384 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136164.0 ave      136164 max      136164 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136164
Ave neighs/atom = 68.082000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.60851982925, Press = -0.604140975973275
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   87000   -7513.3114   -7513.3114   -7592.1389   -7592.1389    305.07067    305.07067    23958.725    23958.725    1986.8214    1986.8214 
   88000   -7506.1057   -7506.1057   -7589.3638   -7589.3638     322.2174     322.2174    23990.938    23990.938    405.16579    405.16579 
Loop time of 41.0245 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.106 ns/day, 11.396 hours/ns, 24.376 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.488     | 40.488     | 40.488     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11886    | 0.11886    | 0.11886    |   0.0 |  0.29
Output  | 0.00015326 | 0.00015326 | 0.00015326 |   0.0 |  0.00
Modify  | 0.3511     | 0.3511     | 0.3511     |   0.0 |  0.86
Other   |            | 0.06593    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5402.00 ave        5402 max        5402 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136193.0 ave      136193 max      136193 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136193
Ave neighs/atom = 68.096500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.590453706062, Press = 0.511600173848858
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   88000   -7506.1057   -7506.1057   -7589.3638   -7589.3638     322.2174     322.2174    23990.938    23990.938    405.16579    405.16579 
   89000     -7506.79     -7506.79   -7587.7877   -7587.7877    313.46944    313.46944    24006.208    24006.208   -1170.7029   -1170.7029 
Loop time of 41.0369 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.105 ns/day, 11.399 hours/ns, 24.368 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.498     | 40.498     | 40.498     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11833    | 0.11833    | 0.11833    |   0.0 |  0.29
Output  | 0.00015453 | 0.00015453 | 0.00015453 |   0.0 |  0.00
Modify  | 0.35404    | 0.35404    | 0.35404    |   0.0 |  0.86
Other   |            | 0.06678    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5359.00 ave        5359 max        5359 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136200.0 ave      136200 max      136200 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136200
Ave neighs/atom = 68.100000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.59750236668, Press = -0.212127551460186
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   89000     -7506.79     -7506.79   -7587.7877   -7587.7877    313.46944    313.46944    24006.208    24006.208   -1170.7029   -1170.7029 
   90000   -7509.3733   -7509.3733   -7589.1985   -7589.1985     308.9318     308.9318    23988.312    23988.312    345.15436    345.15436 
Loop time of 41.0796 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.103 ns/day, 11.411 hours/ns, 24.343 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.541     | 40.541     | 40.541     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11832    | 0.11832    | 0.11832    |   0.0 |  0.29
Output  | 0.00015368 | 0.00015368 | 0.00015368 |   0.0 |  0.00
Modify  | 0.35427    | 0.35427    | 0.35427    |   0.0 |  0.86
Other   |            | 0.06608    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5370.00 ave        5370 max        5370 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136191.0 ave      136191 max      136191 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136191
Ave neighs/atom = 68.095500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.639441950595, Press = -0.926164353424154
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   90000   -7509.3733   -7509.3733   -7589.1985   -7589.1985     308.9318     308.9318    23988.312    23988.312    345.15436    345.15436 
   91000   -7505.7633   -7505.7633   -7589.4315   -7589.4315    323.80448    323.80448    23960.051    23960.051    2805.8269    2805.8269 
Loop time of 41.0863 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.103 ns/day, 11.413 hours/ns, 24.339 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.548     | 40.548     | 40.548     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11861    | 0.11861    | 0.11861    |   0.0 |  0.29
Output  | 0.00015119 | 0.00015119 | 0.00015119 |   0.0 |  0.00
Modify  | 0.35208    | 0.35208    | 0.35208    |   0.0 |  0.86
Other   |            | 0.0671     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5387.00 ave        5387 max        5387 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136223.0 ave      136223 max      136223 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136223
Ave neighs/atom = 68.111500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.650902278904, Press = 0.617633974585903
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   91000   -7505.7633   -7505.7633   -7589.4315   -7589.4315    323.80448    323.80448    23960.051    23960.051    2805.8269    2805.8269 
   92000   -7506.6864   -7506.6864   -7588.2521   -7588.2521    315.66761    315.66761    24010.697    24010.697   -1169.6234   -1169.6234 
Loop time of 41.026 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.106 ns/day, 11.396 hours/ns, 24.375 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.489     | 40.489     | 40.489     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11901    | 0.11901    | 0.11901    |   0.0 |  0.29
Output  | 0.00015297 | 0.00015297 | 0.00015297 |   0.0 |  0.00
Modify  | 0.35205    | 0.35205    | 0.35205    |   0.0 |  0.86
Other   |            | 0.06614    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5391.00 ave        5391 max        5391 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136240.0 ave      136240 max      136240 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136240
Ave neighs/atom = 68.120000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.670603944858, Press = 0.198113114497414
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   92000   -7506.6864   -7506.6864   -7588.2521   -7588.2521    315.66761    315.66761    24010.697    24010.697   -1169.6234   -1169.6234 
   93000   -7504.6474   -7504.6474   -7585.9027   -7585.9027    314.46641    314.46641    24010.638    24010.638   -664.27933   -664.27933 
Loop time of 41.0311 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.106 ns/day, 11.398 hours/ns, 24.372 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.496     | 40.496     | 40.496     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1198     | 0.1198     | 0.1198     |   0.0 |  0.29
Output  | 0.00015495 | 0.00015495 | 0.00015495 |   0.0 |  0.00
Modify  | 0.35043    | 0.35043    | 0.35043    |   0.0 |  0.85
Other   |            | 0.06473    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5409.00 ave        5409 max        5409 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136192.0 ave      136192 max      136192 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136192
Ave neighs/atom = 68.096000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.670856983235, Press = -0.527286383457164
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   93000   -7504.6474   -7504.6474   -7585.9027   -7585.9027    314.46641    314.46641    24010.638    24010.638   -664.27933   -664.27933 
   94000    -7508.203    -7508.203    -7590.189    -7590.189    317.29439    317.29439    23952.404    23952.404    3106.7569    3106.7569 
Loop time of 41.0624 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.104 ns/day, 11.406 hours/ns, 24.353 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.524     | 40.524     | 40.524     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11875    | 0.11875    | 0.11875    |   0.0 |  0.29
Output  | 0.00015329 | 0.00015329 | 0.00015329 |   0.0 |  0.00
Modify  | 0.35336    | 0.35336    | 0.35336    |   0.0 |  0.86
Other   |            | 0.06662    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5378.00 ave        5378 max        5378 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136216.0 ave      136216 max      136216 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136216
Ave neighs/atom = 68.108000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.710368773225, Press = -0.707501333343841
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   94000    -7508.203    -7508.203    -7590.189    -7590.189    317.29439    317.29439    23952.404    23952.404    3106.7569    3106.7569 
   95000   -7507.6767   -7507.6767   -7587.7954   -7587.7954    310.06776    310.06776    23957.068    23957.068    3095.6388    3095.6388 
Loop time of 41.03 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.106 ns/day, 11.397 hours/ns, 24.372 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.492     | 40.492     | 40.492     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11943    | 0.11943    | 0.11943    |   0.0 |  0.29
Output  | 0.00015194 | 0.00015194 | 0.00015194 |   0.0 |  0.00
Modify  | 0.3529     | 0.3529     | 0.3529     |   0.0 |  0.86
Other   |            | 0.06604    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5394.00 ave        5394 max        5394 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136224.0 ave      136224 max      136224 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136224
Ave neighs/atom = 68.112000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.710402039344, Press = 0.844082060820857
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   95000   -7507.6767   -7507.6767   -7587.7954   -7587.7954    310.06776    310.06776    23957.068    23957.068    3095.6388    3095.6388 
   96000   -7510.6656   -7510.6656   -7590.0457   -7590.0457    307.20925    307.20925    24010.121    24010.121   -1622.2459   -1622.2459 
Loop time of 41.0455 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.105 ns/day, 11.402 hours/ns, 24.363 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.508     | 40.508     | 40.508     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11896    | 0.11896    | 0.11896    |   0.0 |  0.29
Output  | 0.00015336 | 0.00015336 | 0.00015336 |   0.0 |  0.00
Modify  | 0.35234    | 0.35234    | 0.35234    |   0.0 |  0.86
Other   |            | 0.066      |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5368.00 ave        5368 max        5368 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136237.0 ave      136237 max      136237 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136237
Ave neighs/atom = 68.118500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.724601842432, Press = 0.562785061922373
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   96000   -7510.6656   -7510.6656   -7590.0457   -7590.0457    307.20925    307.20925    24010.121    24010.121   -1622.2459   -1622.2459 
   97000   -7507.1034   -7507.1034   -7588.3138   -7588.3138    314.29238    314.29238    24009.094    24009.094   -755.68439   -755.68439 
Loop time of 41.8438 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.065 ns/day, 11.623 hours/ns, 23.898 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.292     | 41.292     | 41.292     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12264    | 0.12264    | 0.12264    |   0.0 |  0.29
Output  | 0.00015553 | 0.00015553 | 0.00015553 |   0.0 |  0.00
Modify  | 0.3616     | 0.3616     | 0.3616     |   0.0 |  0.86
Other   |            | 0.06733    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5377.00 ave        5377 max        5377 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136153.0 ave      136153 max      136153 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136153
Ave neighs/atom = 68.076500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.730195243288, Press = -0.174541713062734
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   97000   -7507.1034   -7507.1034   -7588.3138   -7588.3138    314.29238    314.29238    24009.094    24009.094   -755.68439   -755.68439 
   98000   -7508.6912   -7508.6912   -7587.8044   -7587.8044    306.17637    306.17637    23985.113    23985.113    648.92432    648.92432 
Loop time of 41.1778 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.098 ns/day, 11.438 hours/ns, 24.285 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.639     | 40.639     | 40.639     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1188     | 0.1188     | 0.1188     |   0.0 |  0.29
Output  | 0.00015422 | 0.00015422 | 0.00015422 |   0.0 |  0.00
Modify  | 0.35373    | 0.35373    | 0.35373    |   0.0 |  0.86
Other   |            | 0.06635    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5389.00 ave        5389 max        5389 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136185.0 ave      136185 max      136185 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136185
Ave neighs/atom = 68.092500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.729844177362, Press = 0.0894944653233261
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   98000   -7508.6912   -7508.6912   -7587.8044   -7587.8044    306.17637    306.17637    23985.113    23985.113    648.92432    648.92432 
   99000   -7507.8568   -7507.8568   -7589.2657   -7589.2657    315.06075    315.06075    24001.213    24001.213   -305.08907   -305.08907 
Loop time of 42.5315 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.031 ns/day, 11.814 hours/ns, 23.512 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.991     | 41.991     | 41.991     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12129    | 0.12129    | 0.12129    |   0.0 |  0.29
Output  | 0.00020132 | 0.00020132 | 0.00020132 |   0.0 |  0.00
Modify  | 0.35439    | 0.35439    | 0.35439    |   0.0 |  0.83
Other   |            | 0.06466    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5411.00 ave        5411 max        5411 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136238.0 ave      136238 max      136238 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136238
Ave neighs/atom = 68.119000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.730292563362, Press = -0.629137518832869
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   99000   -7507.8568   -7507.8568   -7589.2657   -7589.2657    315.06075    315.06075    24001.213    24001.213   -305.08907   -305.08907 
  100000    -7505.889    -7505.889   -7587.4649   -7587.4649    315.70716    315.70716    23959.895    23959.895    3524.7393    3524.7393 
Loop time of 44.6825 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.934 ns/day, 12.412 hours/ns, 22.380 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.139     | 44.139     | 44.139     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1228     | 0.1228     | 0.1228     |   0.0 |  0.27
Output  | 0.00015535 | 0.00015535 | 0.00015535 |   0.0 |  0.00
Modify  | 0.35834    | 0.35834    | 0.35834    |   0.0 |  0.80
Other   |            | 0.06249    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5357.00 ave        5357 max        5357 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136173.0 ave      136173 max      136173 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136173
Ave neighs/atom = 68.086500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.710797334682, Press = 0.4382576733931
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  100000    -7505.889    -7505.889   -7587.4649   -7587.4649    315.70716    315.70716    23959.895    23959.895    3524.7393    3524.7393 
  101000   -7508.8954   -7508.8954   -7588.1289   -7588.1289      306.642      306.642    24000.162    24000.162    -226.3898    -226.3898 
Loop time of 43.6259 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.980 ns/day, 12.118 hours/ns, 22.922 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    | 43.071     | 43.071     | 43.071     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12326    | 0.12326    | 0.12326    |   0.0 |  0.28
Output  | 0.00015557 | 0.00015557 | 0.00015557 |   0.0 |  0.00
Modify  | 0.36449    | 0.36449    | 0.36449    |   0.0 |  0.84
Other   |            | 0.0668     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5396.00 ave        5396 max        5396 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136217.0 ave      136217 max      136217 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136217
Ave neighs/atom = 68.108500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.746035577787, Press = 0.706716237851247
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  101000   -7508.8954   -7508.8954   -7588.1289   -7588.1289      306.642      306.642    24000.162    24000.162    -226.3898    -226.3898 
  102000   -7505.5658   -7505.5658   -7586.4766   -7586.4766    313.13295    313.13295    24021.653    24021.653    -1726.151    -1726.151 
Loop time of 41.5476 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.080 ns/day, 11.541 hours/ns, 24.069 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.003     | 41.003     | 41.003     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12005    | 0.12005    | 0.12005    |   0.0 |  0.29
Output  | 0.00015318 | 0.00015318 | 0.00015318 |   0.0 |  0.00
Modify  | 0.35762    | 0.35762    | 0.35762    |   0.0 |  0.86
Other   |            | 0.06668    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5404.00 ave        5404 max        5404 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136191.0 ave      136191 max      136191 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136191
Ave neighs/atom = 68.095500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.764380129799, Press = -0.453743159053038
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  102000   -7505.5658   -7505.5658   -7586.4766   -7586.4766    313.13295    313.13295    24021.653    24021.653    -1726.151    -1726.151 
  103000   -7507.9347   -7507.9347   -7588.8942   -7588.8942    313.32154    313.32154    23994.925    23994.925   -65.319725   -65.319725 
Loop time of 42.4588 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.035 ns/day, 11.794 hours/ns, 23.552 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.915     | 41.915     | 41.915     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12048    | 0.12048    | 0.12048    |   0.0 |  0.28
Output  | 0.00015337 | 0.00015337 | 0.00015337 |   0.0 |  0.00
Modify  | 0.35683    | 0.35683    | 0.35683    |   0.0 |  0.84
Other   |            | 0.06638    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5367.00 ave        5367 max        5367 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136186.0 ave      136186 max      136186 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136186
Ave neighs/atom = 68.093000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.747329038666, Press = -0.208934900788287
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  103000   -7507.9347   -7507.9347   -7588.8942   -7588.8942    313.32154    313.32154    23994.925    23994.925   -65.319725   -65.319725 
  104000   -7512.3223   -7512.3223   -7592.7194   -7592.7194    311.14509    311.14509    23982.834    23982.834    469.58919    469.58919 
Loop time of 41.4593 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.084 ns/day, 11.516 hours/ns, 24.120 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.917     | 40.917     | 40.917     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11987    | 0.11987    | 0.11987    |   0.0 |  0.29
Output  | 0.0001534  | 0.0001534  | 0.0001534  |   0.0 |  0.00
Modify  | 0.3558     | 0.3558     | 0.3558     |   0.0 |  0.86
Other   |            | 0.06613    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5375.00 ave        5375 max        5375 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136231.0 ave      136231 max      136231 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136231
Ave neighs/atom = 68.115500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.735235096723, Press = -0.163378888196395
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  104000   -7512.3223   -7512.3223   -7592.7194   -7592.7194    311.14509    311.14509    23982.834    23982.834    469.58919    469.58919 
  105000   -7506.6595   -7506.6595   -7588.4872   -7588.4872    316.68188    316.68188     23989.98     23989.98     1331.116     1331.116 
Loop time of 41.0875 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.103 ns/day, 11.413 hours/ns, 24.338 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.548     | 40.548     | 40.548     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11994    | 0.11994    | 0.11994    |   0.0 |  0.29
Output  | 0.00015252 | 0.00015252 | 0.00015252 |   0.0 |  0.00
Modify  | 0.35378    | 0.35378    | 0.35378    |   0.0 |  0.86
Other   |            | 0.06552    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5393.00 ave        5393 max        5393 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136179.0 ave      136179 max      136179 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136179
Ave neighs/atom = 68.089500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.717529678122, Press = 0.304444121190979
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  105000   -7506.6595   -7506.6595   -7588.4872   -7588.4872    316.68188    316.68188     23989.98     23989.98     1331.116     1331.116 
  106000   -7509.5601   -7509.5601   -7589.9227   -7589.9227    311.01151    311.01151    24077.849    24077.849   -6434.2922   -6434.2922 
Loop time of 41.0379 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.105 ns/day, 11.399 hours/ns, 24.368 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.5       | 40.5       | 40.5       |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1187     | 0.1187     | 0.1187     |   0.0 |  0.29
Output  | 0.00019699 | 0.00019699 | 0.00019699 |   0.0 |  0.00
Modify  | 0.35377    | 0.35377    | 0.35377    |   0.0 |  0.86
Other   |            | 0.06549    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5357.00 ave        5357 max        5357 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136210.0 ave      136210 max      136210 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136210
Ave neighs/atom = 68.105000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.706673323513, Press = -0.192278149973623
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  106000   -7509.5601   -7509.5601   -7589.9227   -7589.9227    311.01151    311.01151    24077.849    24077.849   -6434.2922   -6434.2922 
  107000   -7504.6315   -7504.6315   -7587.6896   -7587.6896    321.44339    321.44339    24003.604    24003.604   -341.31596   -341.31596 
Loop time of 41.0193 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.106 ns/day, 11.394 hours/ns, 24.379 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.482     | 40.482     | 40.482     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11816    | 0.11816    | 0.11816    |   0.0 |  0.29
Output  | 0.00014871 | 0.00014871 | 0.00014871 |   0.0 |  0.00
Modify  | 0.35432    | 0.35432    | 0.35432    |   0.0 |  0.86
Other   |            | 0.06511    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5339.00 ave        5339 max        5339 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136115.0 ave      136115 max      136115 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136115
Ave neighs/atom = 68.057500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.721107313945, Press = -0.500852325959628
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  107000   -7504.6315   -7504.6315   -7587.6896   -7587.6896    321.44339    321.44339    24003.604    24003.604   -341.31596   -341.31596 
  108000    -7511.292    -7511.292   -7589.2796   -7589.2796    301.82011    301.82011    23984.869    23984.869    620.89571    620.89571 
Loop time of 41.0172 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.106 ns/day, 11.394 hours/ns, 24.380 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.481     | 40.481     | 40.481     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11916    | 0.11916    | 0.11916    |   0.0 |  0.29
Output  | 0.00015086 | 0.00015086 | 0.00015086 |   0.0 |  0.00
Modify  | 0.3509     | 0.3509     | 0.3509     |   0.0 |  0.86
Other   |            | 0.0664     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5378.00 ave        5378 max        5378 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136221.0 ave      136221 max      136221 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136221
Ave neighs/atom = 68.110500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.732305844508, Press = 0.0685878294120832
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  108000    -7511.292    -7511.292   -7589.2796   -7589.2796    301.82011    301.82011    23984.869    23984.869    620.89571    620.89571 
  109000   -7506.5731   -7506.5731   -7587.7752   -7587.7752    314.26048    314.26048    24018.839    24018.839   -1771.5996   -1771.5996 
Loop time of 40.9846 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.108 ns/day, 11.385 hours/ns, 24.399 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.443     | 40.443     | 40.443     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11926    | 0.11926    | 0.11926    |   0.0 |  0.29
Output  | 0.00015315 | 0.00015315 | 0.00015315 |   0.0 |  0.00
Modify  | 0.35592    | 0.35592    | 0.35592    |   0.0 |  0.87
Other   |            | 0.06638    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5367.00 ave        5367 max        5367 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136185.0 ave      136185 max      136185 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136185
Ave neighs/atom = 68.092500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.718383272901, Press = -0.429855113148759
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  109000   -7506.5731   -7506.5731   -7587.7752   -7587.7752    314.26048    314.26048    24018.839    24018.839   -1771.5996   -1771.5996 
  110000   -7507.7687   -7507.7687   -7587.9275   -7587.9275     310.2228     310.2228    23976.696    23976.696    1758.6184    1758.6184 
Loop time of 40.9817 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.108 ns/day, 11.384 hours/ns, 24.401 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.442     | 40.442     | 40.442     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11948    | 0.11948    | 0.11948    |   0.0 |  0.29
Output  | 0.00015361 | 0.00015361 | 0.00015361 |   0.0 |  0.00
Modify  | 0.35477    | 0.35477    | 0.35477    |   0.0 |  0.87
Other   |            | 0.0656     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5379.00 ave        5379 max        5379 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136171.0 ave      136171 max      136171 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136171
Ave neighs/atom = 68.085500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.714777991819, Press = -0.961321531709187
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  110000   -7507.7687   -7507.7687   -7587.9275   -7587.9275     310.2228     310.2228    23976.696    23976.696    1758.6184    1758.6184 
  111000   -7508.0467   -7508.0467   -7589.3508   -7589.3508    314.65513    314.65513    23943.933    23943.933    3952.5917    3952.5917 
Loop time of 41.033 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.106 ns/day, 11.398 hours/ns, 24.371 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.494     | 40.494     | 40.494     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11863    | 0.11863    | 0.11863    |   0.0 |  0.29
Output  | 0.00019749 | 0.00019749 | 0.00019749 |   0.0 |  0.00
Modify  | 0.35416    | 0.35416    | 0.35416    |   0.0 |  0.86
Other   |            | 0.06618    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5349.00 ave        5349 max        5349 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136234.0 ave      136234 max      136234 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136234
Ave neighs/atom = 68.117000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.744518822425, Press = 0.397581956995888
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  111000   -7508.0467   -7508.0467   -7589.3508   -7589.3508    314.65513    314.65513    23943.933    23943.933    3952.5917    3952.5917 
  112000   -7504.7176   -7504.7176   -7586.2433   -7586.2433     315.5132     315.5132    24006.788    24006.788   -888.23779   -888.23779 
Loop time of 41.0375 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.105 ns/day, 11.399 hours/ns, 24.368 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.502     | 40.502     | 40.502     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12009    | 0.12009    | 0.12009    |   0.0 |  0.29
Output  | 0.00020378 | 0.00020378 | 0.00020378 |   0.0 |  0.00
Modify  | 0.35028    | 0.35028    | 0.35028    |   0.0 |  0.85
Other   |            | 0.0654     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5401.00 ave        5401 max        5401 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136229.0 ave      136229 max      136229 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136229
Ave neighs/atom = 68.114500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.762238492655, Press = 0.635247101284639
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  112000   -7504.7176   -7504.7176   -7586.2433   -7586.2433     315.5132     315.5132    24006.788    24006.788   -888.23779   -888.23779 
  113000   -7510.5154   -7510.5154   -7588.3849   -7588.3849    301.36306    301.36306    24017.779    24017.779   -2169.1375   -2169.1375 
Loop time of 41.0138 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.107 ns/day, 11.393 hours/ns, 24.382 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.478     | 40.478     | 40.478     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11913    | 0.11913    | 0.11913    |   0.0 |  0.29
Output  | 0.00015579 | 0.00015579 | 0.00015579 |   0.0 |  0.00
Modify  | 0.35049    | 0.35049    | 0.35049    |   0.0 |  0.85
Other   |            | 0.06625    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5372.00 ave        5372 max        5372 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136222.0 ave      136222 max      136222 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136222
Ave neighs/atom = 68.111000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.78836731635, Press = -0.124548109593605
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  113000   -7510.5154   -7510.5154   -7588.3849   -7588.3849    301.36306    301.36306    24017.779    24017.779   -2169.1375   -2169.1375 
  114000   -7505.7628   -7505.7628   -7590.1437   -7590.1437    326.56256    326.56256    24011.082    24011.082   -874.91218   -874.91218 
Loop time of 40.8703 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.114 ns/day, 11.353 hours/ns, 24.468 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.333     | 40.333     | 40.333     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11778    | 0.11778    | 0.11778    |   0.0 |  0.29
Output  | 0.00015022 | 0.00015022 | 0.00015022 |   0.0 |  0.00
Modify  | 0.35308    | 0.35308    | 0.35308    |   0.0 |  0.86
Other   |            | 0.06617    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5365.00 ave        5365 max        5365 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136186.0 ave      136186 max      136186 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136186
Ave neighs/atom = 68.093000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.803932190423, Press = -0.456610619609647
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  114000   -7505.7628   -7505.7628   -7590.1437   -7590.1437    326.56256    326.56256    24011.082    24011.082   -874.91218   -874.91218 
  115000   -7509.6571   -7509.6571   -7590.0764   -7590.0764    311.23067    311.23067    23982.145    23982.145    157.27682    157.27682 
Loop time of 40.9404 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.110 ns/day, 11.372 hours/ns, 24.426 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.403     | 40.403     | 40.403     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11849    | 0.11849    | 0.11849    |   0.0 |  0.29
Output  | 0.00015254 | 0.00015254 | 0.00015254 |   0.0 |  0.00
Modify  | 0.3525     | 0.3525     | 0.3525     |   0.0 |  0.86
Other   |            | 0.06632    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5416.00 ave        5416 max        5416 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136160.0 ave      136160 max      136160 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136160
Ave neighs/atom = 68.080000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.823937851042, Press = -0.12324620905331
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  115000   -7509.6571   -7509.6571   -7590.0764   -7590.0764    311.23067    311.23067    23982.145    23982.145    157.27682    157.27682 
  116000    -7505.841    -7505.841   -7587.6931   -7587.6931     316.7761     316.7761     23955.39     23955.39    3200.7914    3200.7914 
Loop time of 40.8757 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.114 ns/day, 11.354 hours/ns, 24.464 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.339     | 40.339     | 40.339     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11837    | 0.11837    | 0.11837    |   0.0 |  0.29
Output  | 0.00015298 | 0.00015298 | 0.00015298 |   0.0 |  0.00
Modify  | 0.35184    | 0.35184    | 0.35184    |   0.0 |  0.86
Other   |            | 0.06635    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5390.00 ave        5390 max        5390 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136238.0 ave      136238 max      136238 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136238
Ave neighs/atom = 68.119000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.832735811291, Press = -0.0525477148216891
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  116000    -7505.841    -7505.841   -7587.6931   -7587.6931     316.7761     316.7761     23955.39     23955.39    3200.7914    3200.7914 
  117000   -7509.6724   -7509.6724   -7590.2485   -7590.2485    311.83767    311.83767    23995.618    23995.618   -672.33398   -672.33398 
Loop time of 40.9288 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.111 ns/day, 11.369 hours/ns, 24.433 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.392     | 40.392     | 40.392     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11838    | 0.11838    | 0.11838    |   0.0 |  0.29
Output  | 0.00015104 | 0.00015104 | 0.00015104 |   0.0 |  0.00
Modify  | 0.35263    | 0.35263    | 0.35263    |   0.0 |  0.86
Other   |            | 0.06577    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5349.00 ave        5349 max        5349 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136221.0 ave      136221 max      136221 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136221
Ave neighs/atom = 68.110500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.84951090338, Press = 1.0252225549352
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  117000   -7509.6724   -7509.6724   -7590.2485   -7590.2485    311.83767    311.83767    23995.618    23995.618   -672.33398   -672.33398 
  118000   -7502.0647   -7502.0647   -7586.8717   -7586.8717    328.21183    328.21183     24038.78     24038.78   -3432.7412   -3432.7412 
Loop time of 40.935 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.111 ns/day, 11.371 hours/ns, 24.429 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.399     | 40.399     | 40.399     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11739    | 0.11739    | 0.11739    |   0.0 |  0.29
Output  | 0.00015292 | 0.00015292 | 0.00015292 |   0.0 |  0.00
Modify  | 0.35308    | 0.35308    | 0.35308    |   0.0 |  0.86
Other   |            | 0.06552    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5352.00 ave        5352 max        5352 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136174.0 ave      136174 max      136174 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136174
Ave neighs/atom = 68.087000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.867541897087, Press = -0.148193126962421
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  118000   -7502.0647   -7502.0647   -7586.8717   -7586.8717    328.21183    328.21183     24038.78     24038.78   -3432.7412   -3432.7412 
  119000   -7508.9204   -7508.9204   -7590.6474   -7590.6474    316.29172    316.29172    23973.615    23973.615    1410.2512    1410.2512 
Loop time of 40.9331 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.111 ns/day, 11.370 hours/ns, 24.430 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.397     | 40.397     | 40.397     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11815    | 0.11815    | 0.11815    |   0.0 |  0.29
Output  | 0.00015138 | 0.00015138 | 0.00015138 |   0.0 |  0.00
Modify  | 0.35224    | 0.35224    | 0.35224    |   0.0 |  0.86
Other   |            | 0.06521    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5368.00 ave        5368 max        5368 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136146.0 ave      136146 max      136146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136146
Ave neighs/atom = 68.073000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.88558433698, Press = -0.811123534926159
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  119000   -7508.9204   -7508.9204   -7590.6474   -7590.6474    316.29172    316.29172    23973.615    23973.615    1410.2512    1410.2512 
  120000    -7507.636    -7507.636   -7589.1826   -7589.1826    315.59362    315.59362    23970.721    23970.721    1856.4669    1856.4669 
Loop time of 40.9252 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.111 ns/day, 11.368 hours/ns, 24.435 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.389     | 40.389     | 40.389     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11813    | 0.11813    | 0.11813    |   0.0 |  0.29
Output  | 0.00019683 | 0.00019683 | 0.00019683 |   0.0 |  0.00
Modify  | 0.35239    | 0.35239    | 0.35239    |   0.0 |  0.86
Other   |            | 0.06553    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5365.00 ave        5365 max        5365 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136205.0 ave      136205 max      136205 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136205
Ave neighs/atom = 68.102500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.89793516609, Press = 0.277467773875279
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  120000    -7507.636    -7507.636   -7589.1826   -7589.1826    315.59362    315.59362    23970.721    23970.721    1856.4669    1856.4669 
  121000   -7503.4853   -7503.4853    -7586.609    -7586.609    321.69735    321.69735    24010.983    24010.983   -772.86934   -772.86934 
Loop time of 40.9051 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.112 ns/day, 11.363 hours/ns, 24.447 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.368     | 40.368     | 40.368     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1183     | 0.1183     | 0.1183     |   0.0 |  0.29
Output  | 0.00015286 | 0.00015286 | 0.00015286 |   0.0 |  0.00
Modify  | 0.35209    | 0.35209    | 0.35209    |   0.0 |  0.86
Other   |            | 0.06644    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5376.00 ave        5376 max        5376 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136203.0 ave      136203 max      136203 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136203
Ave neighs/atom = 68.101500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.914187538728, Press = 0.65061044233095
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  121000   -7503.4853   -7503.4853    -7586.609    -7586.609    321.69735    321.69735    24010.983    24010.983   -772.86934   -772.86934 
  122000   -7508.1172   -7508.1172   -7588.7216   -7588.7216    311.94704    311.94704    24009.843    24009.843   -918.66772   -918.66772 
Loop time of 40.8901 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.113 ns/day, 11.358 hours/ns, 24.456 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.354     | 40.354     | 40.354     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11823    | 0.11823    | 0.11823    |   0.0 |  0.29
Output  | 0.00015305 | 0.00015305 | 0.00015305 |   0.0 |  0.00
Modify  | 0.35141    | 0.35141    | 0.35141    |   0.0 |  0.86
Other   |            | 0.06586    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5362.00 ave        5362 max        5362 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136173.0 ave      136173 max      136173 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136173
Ave neighs/atom = 68.086500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.92980540329, Press = -0.372180088728852
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  122000   -7508.1172   -7508.1172   -7588.7216   -7588.7216    311.94704    311.94704    24009.843    24009.843   -918.66772   -918.66772 
  123000   -7511.7581   -7511.7581   -7592.2085   -7592.2085    311.35132    311.35132    23973.408    23973.408    1389.6015    1389.6015 
Loop time of 40.8797 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.114 ns/day, 11.355 hours/ns, 24.462 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.342     | 40.342     | 40.342     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11901    | 0.11901    | 0.11901    |   0.0 |  0.29
Output  | 0.00015209 | 0.00015209 | 0.00015209 |   0.0 |  0.00
Modify  | 0.35241    | 0.35241    | 0.35241    |   0.0 |  0.86
Other   |            | 0.06611    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5397.00 ave        5397 max        5397 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136155.0 ave      136155 max      136155 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136155
Ave neighs/atom = 68.077500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.912035784734, Press = -0.342006108646984
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  123000   -7511.7581   -7511.7581   -7592.2085   -7592.2085    311.35132    311.35132    23973.408    23973.408    1389.6015    1389.6015 
  124000   -7508.6571   -7508.6571   -7588.3391   -7588.3391    308.37756    308.37756    23959.592    23959.592    3024.9965    3024.9965 
Loop time of 40.9243 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.111 ns/day, 11.368 hours/ns, 24.435 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.388     | 40.388     | 40.388     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11866    | 0.11866    | 0.11866    |   0.0 |  0.29
Output  | 0.0001529  | 0.0001529  | 0.0001529  |   0.0 |  0.00
Modify  | 0.35215    | 0.35215    | 0.35215    |   0.0 |  0.86
Other   |            | 0.06549    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5371.00 ave        5371 max        5371 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136211.0 ave      136211 max      136211 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136211
Ave neighs/atom = 68.105500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.904105967699, Press = -0.193999209926937
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  124000   -7508.6571   -7508.6571   -7588.3391   -7588.3391    308.37756    308.37756    23959.592    23959.592    3024.9965    3024.9965 
  125000   -7507.3747   -7507.3747   -7588.8802   -7588.8802    315.43458    315.43458    23942.297    23942.297    4194.5301    4194.5301 
Loop time of 40.9228 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.111 ns/day, 11.367 hours/ns, 24.436 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.386     | 40.386     | 40.386     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11861    | 0.11861    | 0.11861    |   0.0 |  0.29
Output  | 0.00019943 | 0.00019943 | 0.00019943 |   0.0 |  0.00
Modify  | 0.353      | 0.353      | 0.353      |   0.0 |  0.86
Other   |            | 0.06549    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5399.00 ave        5399 max        5399 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136226.0 ave      136226 max      136226 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136226
Ave neighs/atom = 68.113000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.894008805182, Press = 0.792023822714251
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  125000   -7507.3747   -7507.3747   -7588.8802   -7588.8802    315.43458    315.43458    23942.297    23942.297    4194.5301    4194.5301 
  126000   -7511.8698   -7511.8698   -7590.6265   -7590.6265    304.79677    304.79677    24016.551    24016.551   -1432.2336   -1432.2336 
Loop time of 40.8786 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.114 ns/day, 11.355 hours/ns, 24.463 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.341     | 40.341     | 40.341     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11982    | 0.11982    | 0.11982    |   0.0 |  0.29
Output  | 0.00019457 | 0.00019457 | 0.00019457 |   0.0 |  0.00
Modify  | 0.3518     | 0.3518     | 0.3518     |   0.0 |  0.86
Other   |            | 0.06602    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5414.00 ave        5414 max        5414 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136254.0 ave      136254 max      136254 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136254
Ave neighs/atom = 68.127000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.892094882825, Press = 0.277735893512531
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  126000   -7511.8698   -7511.8698   -7590.6265   -7590.6265    304.79677    304.79677    24016.551    24016.551   -1432.2336   -1432.2336 
  127000    -7506.984    -7506.984   -7590.1503   -7590.1503    321.86206    321.86206    24036.966    24036.966   -3255.7877   -3255.7877 
Loop time of 40.9113 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.112 ns/day, 11.364 hours/ns, 24.443 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.376     | 40.376     | 40.376     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11767    | 0.11767    | 0.11767    |   0.0 |  0.29
Output  | 0.00015106 | 0.00015106 | 0.00015106 |   0.0 |  0.00
Modify  | 0.35265    | 0.35265    | 0.35265    |   0.0 |  0.86
Other   |            | 0.06503    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5339.00 ave        5339 max        5339 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136170.0 ave      136170 max      136170 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136170
Ave neighs/atom = 68.085000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.871396416481, Press = -0.139193483284233
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  127000    -7506.984    -7506.984   -7590.1503   -7590.1503    321.86206    321.86206    24036.966    24036.966   -3255.7877   -3255.7877 
  128000    -7510.774    -7510.774   -7590.1168   -7590.1168      307.065      307.065    24001.142    24001.142   -623.03778   -623.03778 
Loop time of 40.986 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.108 ns/day, 11.385 hours/ns, 24.399 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.45      | 40.45      | 40.45      |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11842    | 0.11842    | 0.11842    |   0.0 |  0.29
Output  | 0.00015403 | 0.00015403 | 0.00015403 |   0.0 |  0.00
Modify  | 0.35119    | 0.35119    | 0.35119    |   0.0 |  0.86
Other   |            | 0.06606    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5340.00 ave        5340 max        5340 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136139.0 ave      136139 max      136139 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136139
Ave neighs/atom = 68.069500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.868162476685, Press = -0.52468473817839
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  128000    -7510.774    -7510.774   -7590.1168   -7590.1168      307.065      307.065    24001.142    24001.142   -623.03778   -623.03778 
  129000   -7507.2253   -7507.2253    -7589.039    -7589.039    316.62742    316.62742    23976.934    23976.934    1399.6984    1399.6984 
Loop time of 40.9988 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.107 ns/day, 11.389 hours/ns, 24.391 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.462     | 40.462     | 40.462     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11825    | 0.11825    | 0.11825    |   0.0 |  0.29
Output  | 0.00015301 | 0.00015301 | 0.00015301 |   0.0 |  0.00
Modify  | 0.35187    | 0.35187    | 0.35187    |   0.0 |  0.86
Other   |            | 0.06654    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5372.00 ave        5372 max        5372 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136162.0 ave      136162 max      136162 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136162
Ave neighs/atom = 68.081000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.857873639584, Press = -0.0270785341944371
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  129000   -7507.2253   -7507.2253    -7589.039    -7589.039    316.62742    316.62742    23976.934    23976.934    1399.6984    1399.6984 
  130000   -7511.2088   -7511.2088   -7590.4851   -7590.4851    306.80718    306.80718    23955.782    23955.782    3016.5875    3016.5875 
Loop time of 41.0234 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.106 ns/day, 11.395 hours/ns, 24.376 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.487     | 40.487     | 40.487     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11869    | 0.11869    | 0.11869    |   0.0 |  0.29
Output  | 0.00014975 | 0.00014975 | 0.00014975 |   0.0 |  0.00
Modify  | 0.3514     | 0.3514     | 0.3514     |   0.0 |  0.86
Other   |            | 0.06643    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5417.00 ave        5417 max        5417 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136234.0 ave      136234 max      136234 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136234
Ave neighs/atom = 68.117000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.842846919588, Press = 0.305606727613147
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  130000   -7511.2088   -7511.2088   -7590.4851   -7590.4851    306.80718    306.80718    23955.782    23955.782    3016.5875    3016.5875 
  131000    -7508.661    -7508.661   -7588.7276   -7588.7276    309.86617    309.86617    24013.894    24013.894   -1459.7656   -1459.7656 
Loop time of 41.4317 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.085 ns/day, 11.509 hours/ns, 24.136 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.888     | 40.888     | 40.888     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12017    | 0.12017    | 0.12017    |   0.0 |  0.29
Output  | 0.00015288 | 0.00015288 | 0.00015288 |   0.0 |  0.00
Modify  | 0.35633    | 0.35633    | 0.35633    |   0.0 |  0.86
Other   |            | 0.06658    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5409.00 ave        5409 max        5409 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136206.0 ave      136206 max      136206 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136206
Ave neighs/atom = 68.103000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.851365282726, Press = 0.775089791773787
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  131000    -7508.661    -7508.661   -7588.7276   -7588.7276    309.86617    309.86617    24013.894    24013.894   -1459.7656   -1459.7656 
  132000   -7506.0647   -7506.0647   -7590.1538   -7590.1538     325.4334     325.4334    24026.402    24026.402   -2599.6847   -2599.6847 
Loop time of 41.3965 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.087 ns/day, 11.499 hours/ns, 24.157 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    | 40.855     | 40.855     | 40.855     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11941    | 0.11941    | 0.11941    |   0.0 |  0.29
Output  | 0.00015259 | 0.00015259 | 0.00015259 |   0.0 |  0.00
Modify  | 0.35523    | 0.35523    | 0.35523    |   0.0 |  0.86
Other   |            | 0.06643    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5358.00 ave        5358 max        5358 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136171.0 ave      136171 max      136171 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136171
Ave neighs/atom = 68.085500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.861957494821, Press = -0.153385575550969
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  132000   -7506.0647   -7506.0647   -7590.1538   -7590.1538     325.4334     325.4334    24026.402    24026.402   -2599.6847   -2599.6847 
  133000   -7507.2404   -7507.2404   -7587.2485   -7587.2485    309.63988    309.63988    23980.261    23980.261    1663.4192    1663.4192 
Loop time of 40.9457 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.110 ns/day, 11.374 hours/ns, 24.423 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.408     | 40.408     | 40.408     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11854    | 0.11854    | 0.11854    |   0.0 |  0.29
Output  | 0.00015317 | 0.00015317 | 0.00015317 |   0.0 |  0.00
Modify  | 0.35239    | 0.35239    | 0.35239    |   0.0 |  0.86
Other   |            | 0.06614    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5393.00 ave        5393 max        5393 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136155.0 ave      136155 max      136155 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136155
Ave neighs/atom = 68.077500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.889967600683, Press = 0.0151777098624092
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  133000   -7507.2404   -7507.2404   -7587.2485   -7587.2485    309.63988    309.63988    23980.261    23980.261    1663.4192    1663.4192 
  134000   -7506.1407   -7506.1407    -7586.026    -7586.026    309.16442    309.16442    23995.941    23995.941    407.96279    407.96279 
Loop time of 41.0841 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.103 ns/day, 11.412 hours/ns, 24.340 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.545     | 40.545     | 40.545     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11887    | 0.11887    | 0.11887    |   0.0 |  0.29
Output  | 0.00015285 | 0.00015285 | 0.00015285 |   0.0 |  0.00
Modify  | 0.35356    | 0.35356    | 0.35356    |   0.0 |  0.86
Other   |            | 0.06702    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5391.00 ave        5391 max        5391 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136210.0 ave      136210 max      136210 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136210
Ave neighs/atom = 68.105000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.893570238525, Press = 0.166049228642643
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  134000   -7506.1407   -7506.1407    -7586.026    -7586.026    309.16442    309.16442    23995.941    23995.941    407.96279    407.96279 
  135000   -7508.4547   -7508.4547   -7589.4608   -7589.4608    313.50189    313.50189    24000.106    24000.106   -273.20354   -273.20354 
Loop time of 41.1344 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.100 ns/day, 11.426 hours/ns, 24.311 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.594     | 40.594     | 40.594     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11805    | 0.11805    | 0.11805    |   0.0 |  0.29
Output  | 0.0001528  | 0.0001528  | 0.0001528  |   0.0 |  0.00
Modify  | 0.35478    | 0.35478    | 0.35478    |   0.0 |  0.86
Other   |            | 0.06753    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5354.00 ave        5354 max        5354 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136222.0 ave      136222 max      136222 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136222
Ave neighs/atom = 68.111000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.901558740979, Press = 0.100535291322834
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  135000   -7508.4547   -7508.4547   -7589.4608   -7589.4608    313.50189    313.50189    24000.106    24000.106   -273.20354   -273.20354 
  136000   -7506.5555   -7506.5555   -7588.4453   -7588.4453    316.92202    316.92202    23996.132    23996.132    198.51295    198.51295 
Loop time of 41.1005 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.102 ns/day, 11.417 hours/ns, 24.331 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.559     | 40.559     | 40.559     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12033    | 0.12033    | 0.12033    |   0.0 |  0.29
Output  | 0.00015338 | 0.00015338 | 0.00015338 |   0.0 |  0.00
Modify  | 0.3535     | 0.3535     | 0.3535     |   0.0 |  0.86
Other   |            | 0.06713    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5400.00 ave        5400 max        5400 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136182.0 ave      136182 max      136182 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136182
Ave neighs/atom = 68.091000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.899262653673, Press = -0.00241082925568723
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  136000   -7506.5555   -7506.5555   -7588.4453   -7588.4453    316.92202    316.92202    23996.132    23996.132    198.51295    198.51295 
  137000   -7504.5312   -7504.5312   -7588.3413   -7588.3413    324.35374    324.35374    23991.185    23991.185    293.30997    293.30997 
Loop time of 41.0804 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.103 ns/day, 11.411 hours/ns, 24.343 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.54      | 40.54      | 40.54      |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11937    | 0.11937    | 0.11937    |   0.0 |  0.29
Output  | 0.00015327 | 0.00015327 | 0.00015327 |   0.0 |  0.00
Modify  | 0.35391    | 0.35391    | 0.35391    |   0.0 |  0.86
Other   |            | 0.06704    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5387.00 ave        5387 max        5387 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136187.0 ave      136187 max      136187 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136187
Ave neighs/atom = 68.093500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.899037100531, Press = 0.500280792663587
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  137000   -7504.5312   -7504.5312   -7588.3413   -7588.3413    324.35374    324.35374    23991.185    23991.185    293.30997    293.30997 
  138000   -7508.9648   -7508.9648   -7589.3957   -7589.3957    311.27601    311.27601    24011.881    24011.881   -1661.0862   -1661.0862 
Loop time of 41.095 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.102 ns/day, 11.415 hours/ns, 24.334 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    | 40.555     | 40.555     | 40.555     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11946    | 0.11946    | 0.11946    |   0.0 |  0.29
Output  | 0.00015412 | 0.00015412 | 0.00015412 |   0.0 |  0.00
Modify  | 0.3532     | 0.3532     | 0.3532     |   0.0 |  0.86
Other   |            | 0.06756    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5384.00 ave        5384 max        5384 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136180.0 ave      136180 max      136180 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136180
Ave neighs/atom = 68.090000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.917321640774, Press = 0.118690797548063
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  138000   -7508.9648   -7508.9648   -7589.3957   -7589.3957    311.27601    311.27601    24011.881    24011.881   -1661.0862   -1661.0862 
  139000   -7504.2533   -7504.2533    -7586.384    -7586.384    317.85422    317.85422     23999.63     23999.63    7.7979549    7.7979549 
Loop time of 41.1223 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.101 ns/day, 11.423 hours/ns, 24.318 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.582     | 40.582     | 40.582     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11912    | 0.11912    | 0.11912    |   0.0 |  0.29
Output  | 0.00020426 | 0.00020426 | 0.00020426 |   0.0 |  0.00
Modify  | 0.35373    | 0.35373    | 0.35373    |   0.0 |  0.86
Other   |            | 0.06762    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5362.00 ave        5362 max        5362 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136188.0 ave      136188 max      136188 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136188
Ave neighs/atom = 68.094000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.936639279227, Press = -0.630814614603813
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  139000   -7504.2533   -7504.2533    -7586.384    -7586.384    317.85422    317.85422     23999.63     23999.63    7.7979549    7.7979549 
  140000   -7509.2318   -7509.2318   -7590.9004   -7590.9004    316.06587    316.06587     23965.95     23965.95    2048.7248    2048.7248 
Loop time of 41.0851 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.103 ns/day, 11.413 hours/ns, 24.340 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.545     | 40.545     | 40.545     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1186     | 0.1186     | 0.1186     |   0.0 |  0.29
Output  | 0.00021196 | 0.00021196 | 0.00021196 |   0.0 |  0.00
Modify  | 0.35425    | 0.35425    | 0.35425    |   0.0 |  0.86
Other   |            | 0.0671     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5357.00 ave        5357 max        5357 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136201.0 ave      136201 max      136201 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136201
Ave neighs/atom = 68.100500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 312.948523030834, Press = 0.357900315552387
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  140000   -7509.2318   -7509.2318   -7590.9004   -7590.9004    316.06587    316.06587     23965.95     23965.95    2048.7248    2048.7248 
  141000   -7505.2713   -7505.2713   -7586.7123   -7586.7123      315.185      315.185    23997.416    23997.416      28.4203      28.4203 
Loop time of 41.0736 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.104 ns/day, 11.409 hours/ns, 24.347 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.532     | 40.532     | 40.532     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12077    | 0.12077    | 0.12077    |   0.0 |  0.29
Output  | 0.00015636 | 0.00015636 | 0.00015636 |   0.0 |  0.00
Modify  | 0.35309    | 0.35309    | 0.35309    |   0.0 |  0.86
Other   |            | 0.06724    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5406.00 ave        5406 max        5406 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        136208.0 ave      136208 max      136208 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136208
Ave neighs/atom = 68.104000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T313.15.out"  else  "print 'not_converged'  file output/vol_T313.15.out"
print '${V}'  file output/vol_T313.15.out
23994.3368706767

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0