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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 3.16519995033741*${_u_distance}
variable latticeconst_converted equal 3.16519995033741*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  3.16519995033741
Lattice spacing in x,y,z = 3.1652000 3.1652000 3.1652000
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 (31.652000 31.652000 31.652000)
  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 (31.652000 31.652000 31.652000)
  create_atoms CPU = 0.003 seconds

variable mass_converted equal 183.84*${_u_mass}
variable mass_converted equal 183.84*1

kim_interactions W

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

kim interactions W
#=== 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-XXXXXXbI7Ewr/FeCrW_d.eam.alloy W
pair_coeff * * eam/fs /tmp/kim-shared-library-parameter-file-directory-XXXXXXbI7Ewr/FeCrW_s.eam.fs W
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 183.84

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 31710.5263471754    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 31710.5263471754/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 31710.5263471754/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 31710.5263471754/(1*1*${_u_distance})
variable      V0_metal equal 31710.5263471754/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 31710.5263471754*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 31710.5263471754 Angstroms^3

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

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

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

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

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

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

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

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

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

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

Your simulation uses code contributions which should be cited:

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

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

- OpenKIM potential: https://openkim.org/cite/SM_699257350704_001#item-citation

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.3
  ghost atom cutoff = 7.3
  binsize = 3.65, bins = 9 9 9
  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) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -17713.922   -17713.922   -17800.005   -17800.005       333.15       333.15    31710.526    31710.526    2899.6049    2899.6049 
    1000   -17623.511   -17623.511   -17713.786   -17713.786    349.37289    349.37289    31782.046    31782.046     848.4031     848.4031 
Loop time of 34.2917 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.520 ns/day, 9.525 hours/ns, 29.162 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.733     | 33.733     | 33.733     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10541    | 0.10541    | 0.10541    |   0.0 |  0.31
Output  | 0.00019723 | 0.00019723 | 0.00019723 |   0.0 |  0.00
Modify  | 0.38877    | 0.38877    | 0.38877    |   0.0 |  1.13
Other   |            | 0.06465    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        112000.0 ave      112000 max      112000 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 112000
Ave neighs/atom = 56.000000
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) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -17623.511   -17623.511   -17713.786   -17713.786    349.37289    349.37289    31782.046    31782.046     848.4031     848.4031 
    2000   -17625.304   -17625.304   -17709.097   -17709.097    324.28864    324.28864    31814.774    31814.774    -2058.082    -2058.082 
Loop time of 33.6648 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.566 ns/day, 9.351 hours/ns, 29.705 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.108     | 33.108     | 33.108     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10429    | 0.10429    | 0.10429    |   0.0 |  0.31
Output  | 0.00018814 | 0.00018814 | 0.00018814 |   0.0 |  0.00
Modify  | 0.38606    | 0.38606    | 0.38606    |   0.0 |  1.15
Other   |            | 0.06604    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111990.0 ave      111990 max      111990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111990
Ave neighs/atom = 55.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -17625.304   -17625.304   -17709.097   -17709.097    324.28864    324.28864    31814.774    31814.774    -2058.082    -2058.082 
    3000   -17626.198   -17626.198    -17712.07    -17712.07    332.33499    332.33499    31796.316    31796.316   -1327.1292   -1327.1292 
Loop time of 33.0928 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.611 ns/day, 9.192 hours/ns, 30.218 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 32.558     | 32.558     | 32.558     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10239    | 0.10239    | 0.10239    |   0.0 |  0.31
Output  | 0.00018977 | 0.00018977 | 0.00018977 |   0.0 |  0.00
Modify  | 0.36869    | 0.36869    | 0.36869    |   0.0 |  1.11
Other   |            | 0.06365    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111981.0 ave      111981 max      111981 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111981
Ave neighs/atom = 55.990500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -17626.198   -17626.198    -17712.07    -17712.07    332.33499    332.33499    31796.316    31796.316   -1327.1292   -1327.1292 
    4000   -17625.411   -17625.411   -17709.587   -17709.587    325.77131    325.77131    31815.291    31815.291   -1966.7827   -1966.7827 
Loop time of 31.9636 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.703 ns/day, 8.879 hours/ns, 31.286 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.462     | 31.462     | 31.462     |   0.0 | 98.43
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.097171   | 0.097171   | 0.097171   |   0.0 |  0.30
Output  | 0.00018613 | 0.00018613 | 0.00018613 |   0.0 |  0.00
Modify  | 0.34423    | 0.34423    | 0.34423    |   0.0 |  1.08
Other   |            | 0.06008    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111987.0 ave      111987 max      111987 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111987
Ave neighs/atom = 55.993500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -17625.411   -17625.411   -17709.587   -17709.587    325.77131    325.77131    31815.291    31815.291   -1966.7827   -1966.7827 
    5000   -17625.308   -17625.308   -17712.233   -17712.233    336.40813    336.40813    31798.805    31798.805   -968.49923   -968.49923 
Loop time of 32.3814 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.668 ns/day, 8.995 hours/ns, 30.882 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.86      | 31.86      | 31.86      |   0.0 | 98.39
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.098618   | 0.098618   | 0.098618   |   0.0 |  0.30
Output  | 0.00015373 | 0.00015373 | 0.00015373 |   0.0 |  0.00
Modify  | 0.35989    | 0.35989    | 0.35989    |   0.0 |  1.11
Other   |            | 0.06317    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111979.0 ave      111979 max      111979 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111979
Ave neighs/atom = 55.989500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 334.263933655351, Press = -19.2188774997469
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -17625.308   -17625.308   -17712.233   -17712.233    336.40813    336.40813    31798.805    31798.805   -968.49923   -968.49923 
    6000    -17625.23    -17625.23   -17710.913   -17710.913    331.60331    331.60331    31779.024    31779.024    890.34939    890.34939 
Loop time of 33.5339 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.576 ns/day, 9.315 hours/ns, 29.821 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    | 32.956     | 32.956     | 32.956     |   0.0 | 98.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10431    | 0.10431    | 0.10431    |   0.0 |  0.31
Output  | 0.00015624 | 0.00015624 | 0.00015624 |   0.0 |  0.00
Modify  | 0.40658    | 0.40658    | 0.40658    |   0.0 |  1.21
Other   |            | 0.06663    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111988.0 ave      111988 max      111988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111988
Ave neighs/atom = 55.994000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.228835707092, Press = 61.1512476034967
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000    -17625.23    -17625.23   -17710.913   -17710.913    331.60331    331.60331    31779.024    31779.024    890.34939    890.34939 
    7000   -17624.729   -17624.729   -17711.182   -17711.182    334.58283    334.58283    31794.226    31794.226   -779.31991   -779.31991 
Loop time of 34.4828 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.506 ns/day, 9.579 hours/ns, 29.000 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.89      | 33.89      | 33.89      |   0.0 | 98.28
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10809    | 0.10809    | 0.10809    |   0.0 |  0.31
Output  | 0.000155   | 0.000155   | 0.000155   |   0.0 |  0.00
Modify  | 0.41768    | 0.41768    | 0.41768    |   0.0 |  1.21
Other   |            | 0.06646    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111990.0 ave      111990 max      111990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111990
Ave neighs/atom = 55.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.511421120051, Press = 31.4011713855653
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -17624.729   -17624.729   -17711.182   -17711.182    334.58283    334.58283    31794.226    31794.226   -779.31991   -779.31991 
    8000   -17625.204   -17625.204   -17710.377   -17710.377    329.62636    329.62636    31778.245    31778.245    797.78032    797.78032 
Loop time of 33.5614 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.574 ns/day, 9.323 hours/ns, 29.796 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    | 32.994     | 32.994     | 32.994     |   0.0 | 98.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10377    | 0.10377    | 0.10377    |   0.0 |  0.31
Output  | 0.00015086 | 0.00015086 | 0.00015086 |   0.0 |  0.00
Modify  | 0.39827    | 0.39827    | 0.39827    |   0.0 |  1.19
Other   |            | 0.06515    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111982.0 ave      111982 max      111982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111982
Ave neighs/atom = 55.991000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 333.654131753891, Press = 13.5610795193279
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -17625.204   -17625.204   -17710.377   -17710.377    329.62636    329.62636    31778.245    31778.245    797.78032    797.78032 
    9000   -17628.293   -17628.293   -17711.752   -17711.752     322.9929     322.9929    31761.836    31761.836    2498.2416    2498.2416 
Loop time of 32.0751 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.694 ns/day, 8.910 hours/ns, 31.177 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.549     | 31.549     | 31.549     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.097466   | 0.097466   | 0.097466   |   0.0 |  0.30
Output  | 0.00019428 | 0.00019428 | 0.00019428 |   0.0 |  0.00
Modify  | 0.36659    | 0.36659    | 0.36659    |   0.0 |  1.14
Other   |            | 0.06218    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111984.0 ave      111984 max      111984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111984
Ave neighs/atom = 55.992000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.729517246584, Press = 21.5265420928836
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -17628.293   -17628.293   -17711.752   -17711.752     322.9929     322.9929    31761.836    31761.836    2498.2416    2498.2416 
   10000   -17624.468   -17624.468    -17710.41    -17710.41    332.60337    332.60337    31757.286    31757.286    2967.0989    2967.0989 
Loop time of 33.6618 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.567 ns/day, 9.351 hours/ns, 29.707 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.094     | 33.094     | 33.094     |   0.0 | 98.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10365    | 0.10365    | 0.10365    |   0.0 |  0.31
Output  | 0.00023795 | 0.00023795 | 0.00023795 |   0.0 |  0.00
Modify  | 0.39814    | 0.39814    | 0.39814    |   0.0 |  1.18
Other   |            | 0.06567    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111983.0 ave      111983 max      111983 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111983
Ave neighs/atom = 55.991500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.611855563057, Press = 16.3223732102969
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -17624.468   -17624.468    -17710.41    -17710.41    332.60337    332.60337    31757.286    31757.286    2967.0989    2967.0989 
   11000   -17623.989   -17623.989   -17708.813   -17708.813    328.27834    328.27834    31801.192    31801.192   -842.60494   -842.60494 
Loop time of 33.6901 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.565 ns/day, 9.358 hours/ns, 29.682 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.126     | 33.126     | 33.126     |   0.0 | 98.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10297    | 0.10297    | 0.10297    |   0.0 |  0.31
Output  | 0.00019255 | 0.00019255 | 0.00019255 |   0.0 |  0.00
Modify  | 0.39529    | 0.39529    | 0.39529    |   0.0 |  1.17
Other   |            | 0.06549    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111979.0 ave      111979 max      111979 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111979
Ave neighs/atom = 55.989500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.305687856409, Press = 5.2931667102345
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -17623.989   -17623.989   -17708.813   -17708.813    328.27834    328.27834    31801.192    31801.192   -842.60494   -842.60494 
   12000   -17623.868   -17623.868   -17710.845   -17710.845    336.61089    336.61089     31781.34     31781.34    507.45496    507.45496 
Loop time of 33.4199 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.585 ns/day, 9.283 hours/ns, 29.922 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    | 32.851     | 32.851     | 32.851     |   0.0 | 98.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10383    | 0.10383    | 0.10383    |   0.0 |  0.31
Output  | 0.00024132 | 0.00024132 | 0.00024132 |   0.0 |  0.00
Modify  | 0.39798    | 0.39798    | 0.39798    |   0.0 |  1.19
Other   |            | 0.06645    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111985.0 ave      111985 max      111985 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111985
Ave neighs/atom = 55.992500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.618596164436, Press = 0.657906332187347
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -17623.868   -17623.868   -17710.845   -17710.845    336.61089    336.61089     31781.34     31781.34    507.45496    507.45496 
   13000   -17629.181   -17629.181   -17713.444   -17713.444    326.10415    326.10415    31794.763    31794.763   -823.97283   -823.97283 
Loop time of 36.022 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.399 ns/day, 10.006 hours/ns, 27.761 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 35.397     | 35.397     | 35.397     |   0.0 | 98.26
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11273    | 0.11273    | 0.11273    |   0.0 |  0.31
Output  | 0.00023254 | 0.00023254 | 0.00023254 |   0.0 |  0.00
Modify  | 0.44476    | 0.44476    | 0.44476    |   0.0 |  1.23
Other   |            | 0.06735    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111985.0 ave      111985 max      111985 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111985
Ave neighs/atom = 55.992500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.478656852971, Press = 8.43792204760839
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -17629.181   -17629.181   -17713.444   -17713.444    326.10415    326.10415    31794.763    31794.763   -823.97283   -823.97283 
   14000    -17623.01    -17623.01   -17709.718   -17709.718    335.56649    335.56649    31766.422    31766.422    2177.1286    2177.1286 
Loop time of 32.7098 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.641 ns/day, 9.086 hours/ns, 30.572 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 32.167     | 32.167     | 32.167     |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.099695   | 0.099695   | 0.099695   |   0.0 |  0.30
Output  | 0.00015642 | 0.00015642 | 0.00015642 |   0.0 |  0.00
Modify  | 0.37871    | 0.37871    | 0.37871    |   0.0 |  1.16
Other   |            | 0.06434    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111983.0 ave      111983 max      111983 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111983
Ave neighs/atom = 55.991500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.387763025432, Press = 11.960560940528
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000    -17623.01    -17623.01   -17709.718   -17709.718    335.56649    335.56649    31766.422    31766.422    2177.1286    2177.1286 
   15000   -17625.448   -17625.448   -17712.452   -17712.452     336.7164     336.7164    31760.524    31760.524     2620.864     2620.864 
Loop time of 34.3234 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.517 ns/day, 9.534 hours/ns, 29.135 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.729     | 33.729     | 33.729     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10711    | 0.10711    | 0.10711    |   0.0 |  0.31
Output  | 0.00021065 | 0.00021065 | 0.00021065 |   0.0 |  0.00
Modify  | 0.42058    | 0.42058    | 0.42058    |   0.0 |  1.23
Other   |            | 0.06672    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111986.0 ave      111986 max      111986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111986
Ave neighs/atom = 55.993000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.578099916024, Press = 9.86797923361167
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -17625.448   -17625.448   -17712.452   -17712.452     336.7164     336.7164    31760.524    31760.524     2620.864     2620.864 
   16000   -17625.625   -17625.625   -17713.739   -17713.739    341.00755    341.00755    31778.106    31778.106    605.23227    605.23227 
Loop time of 37.4899 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.305 ns/day, 10.414 hours/ns, 26.674 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 36.821     | 36.821     | 36.821     |   0.0 | 98.22
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11865    | 0.11865    | 0.11865    |   0.0 |  0.32
Output  | 0.00015788 | 0.00015788 | 0.00015788 |   0.0 |  0.00
Modify  | 0.48       | 0.48       | 0.48       |   0.0 |  1.28
Other   |            | 0.07009    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111994.0 ave      111994 max      111994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111994
Ave neighs/atom = 55.997000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.563547936789, Press = 1.40819488055846
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -17625.625   -17625.625   -17713.739   -17713.739    341.00755    341.00755    31778.106    31778.106    605.23227    605.23227 
   17000   -17626.336   -17626.336    -17711.41    -17711.41    329.24523    329.24523    31773.074    31773.074     748.5022     748.5022 
Loop time of 33.0039 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.618 ns/day, 9.168 hours/ns, 30.299 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    | 32.451     | 32.451     | 32.451     |   0.0 | 98.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1016     | 0.1016     | 0.1016     |   0.0 |  0.31
Output  | 0.00015666 | 0.00015666 | 0.00015666 |   0.0 |  0.00
Modify  | 0.38657    | 0.38657    | 0.38657    |   0.0 |  1.17
Other   |            | 0.06505    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111987.0 ave      111987 max      111987 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111987
Ave neighs/atom = 55.993500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.579690879701, Press = 2.0040668356612
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000   -17626.336   -17626.336    -17711.41    -17711.41    329.24523    329.24523    31773.074    31773.074     748.5022     748.5022 
   18000   -17624.688   -17624.688   -17710.006   -17710.006    330.18709    330.18709    31786.548    31786.548    305.68965    305.68965 
Loop time of 33.116 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.609 ns/day, 9.199 hours/ns, 30.197 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    | 32.569     | 32.569     | 32.569     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10141    | 0.10141    | 0.10141    |   0.0 |  0.31
Output  | 0.00018106 | 0.00018106 | 0.00018106 |   0.0 |  0.00
Modify  | 0.38144    | 0.38144    | 0.38144    |   0.0 |  1.15
Other   |            | 0.06382    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111988.0 ave      111988 max      111988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111988
Ave neighs/atom = 55.994000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.481425484514, Press = 6.47289646277965
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -17624.688   -17624.688   -17710.006   -17710.006    330.18709    330.18709    31786.548    31786.548    305.68965    305.68965 
   19000   -17630.708   -17630.708   -17713.935   -17713.935    322.09464    322.09464    31756.904    31756.904    2621.5102    2621.5102 
Loop time of 33.5515 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.575 ns/day, 9.320 hours/ns, 29.805 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 32.985     | 32.985     | 32.985     |   0.0 | 98.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10343    | 0.10343    | 0.10343    |   0.0 |  0.31
Output  | 0.00015373 | 0.00015373 | 0.00015373 |   0.0 |  0.00
Modify  | 0.39766    | 0.39766    | 0.39766    |   0.0 |  1.19
Other   |            | 0.06492    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111984.0 ave      111984 max      111984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111984
Ave neighs/atom = 55.992000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.381622322919, Press = 3.63647344342009
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -17630.708   -17630.708   -17713.935   -17713.935    322.09464    322.09464    31756.904    31756.904    2621.5102    2621.5102 
   20000   -17625.031   -17625.031   -17711.481   -17711.481    334.57067    334.57067    31776.838    31776.838     1454.427     1454.427 
Loop time of 32.5814 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.652 ns/day, 9.050 hours/ns, 30.692 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    | 32.042     | 32.042     | 32.042     |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.099532   | 0.099532   | 0.099532   |   0.0 |  0.31
Output  | 0.00015624 | 0.00015624 | 0.00015624 |   0.0 |  0.00
Modify  | 0.37663    | 0.37663    | 0.37663    |   0.0 |  1.16
Other   |            | 0.06299    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111987.0 ave      111987 max      111987 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111987
Ave neighs/atom = 55.993500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.27542809881, Press = 5.45980462316004
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -17625.031   -17625.031   -17711.481   -17711.481    334.57067    334.57067    31776.838    31776.838     1454.427     1454.427 
   21000   -17627.692   -17627.692   -17712.708   -17712.708    329.02237    329.02237    31803.796    31803.796   -2070.2186   -2070.2186 
Loop time of 33.2632 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.597 ns/day, 9.240 hours/ns, 30.063 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    | 32.704     | 32.704     | 32.704     |   0.0 | 98.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10264    | 0.10264    | 0.10264    |   0.0 |  0.31
Output  | 0.00015376 | 0.00015376 | 0.00015376 |   0.0 |  0.00
Modify  | 0.39089    | 0.39089    | 0.39089    |   0.0 |  1.18
Other   |            | 0.06591    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111986.0 ave      111986 max      111986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111986
Ave neighs/atom = 55.993000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.248242316451, Press = 6.65237291462257
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -17627.692   -17627.692   -17712.708   -17712.708    329.02237    329.02237    31803.796    31803.796   -2070.2186   -2070.2186 
   22000   -17626.351   -17626.351   -17712.048   -17712.048    331.65671    331.65671    31809.545    31809.545   -1927.0872   -1927.0872 
Loop time of 32.7287 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.640 ns/day, 9.091 hours/ns, 30.554 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    | 32.181     | 32.181     | 32.181     |   0.0 | 98.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10065    | 0.10065    | 0.10065    |   0.0 |  0.31
Output  | 0.00018458 | 0.00018458 | 0.00018458 |   0.0 |  0.00
Modify  | 0.38339    | 0.38339    | 0.38339    |   0.0 |  1.17
Other   |            | 0.06383    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111985.0 ave      111985 max      111985 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111985
Ave neighs/atom = 55.992500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.158653859656, Press = 6.01386263414696
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000   -17626.351   -17626.351   -17712.048   -17712.048    331.65671    331.65671    31809.545    31809.545   -1927.0872   -1927.0872 
   23000   -17623.727   -17623.727   -17711.256   -17711.256    338.74466    338.74466    31796.338    31796.338   -326.59712   -326.59712 
Loop time of 33.267 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.597 ns/day, 9.241 hours/ns, 30.060 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    | 32.691     | 32.691     | 32.691     |   0.0 | 98.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10506    | 0.10506    | 0.10506    |   0.0 |  0.32
Output  | 0.00023239 | 0.00023239 | 0.00023239 |   0.0 |  0.00
Modify  | 0.40436    | 0.40436    | 0.40436    |   0.0 |  1.22
Other   |            | 0.06633    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111989.0 ave      111989 max      111989 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111989
Ave neighs/atom = 55.994500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.192980036401, Press = 2.69071786630554
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -17623.727   -17623.727   -17711.256   -17711.256    338.74466    338.74466    31796.338    31796.338   -326.59712   -326.59712 
   24000   -17622.278   -17622.278   -17710.363   -17710.363    340.90065    340.90065    31781.679    31781.679    586.95809    586.95809 
Loop time of 33.7436 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.560 ns/day, 9.373 hours/ns, 29.635 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 33.168     | 33.168     | 33.168     |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10413    | 0.10413    | 0.10413    |   0.0 |  0.31
Output  | 0.00015241 | 0.00015241 | 0.00015241 |   0.0 |  0.00
Modify  | 0.4042     | 0.4042     | 0.4042     |   0.0 |  1.20
Other   |            | 0.06744    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111985.0 ave      111985 max      111985 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111985
Ave neighs/atom = 55.992500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.189599090592, Press = 1.88902535471474
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -17622.278   -17622.278   -17710.363   -17710.363    340.90065    340.90065    31781.679    31781.679    586.95809    586.95809 
   25000   -17626.633   -17626.633   -17712.787   -17712.787    333.42731    333.42731    31778.403    31778.403    623.73313    623.73313 
Loop time of 35.7719 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.415 ns/day, 9.937 hours/ns, 27.955 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 35.178     | 35.178     | 35.178     |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10882    | 0.10882    | 0.10882    |   0.0 |  0.30
Output  | 0.00018909 | 0.00018909 | 0.00018909 |   0.0 |  0.00
Modify  | 0.41989    | 0.41989    | 0.41989    |   0.0 |  1.17
Other   |            | 0.06475    |            |       |  0.18

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111986.0 ave      111986 max      111986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111986
Ave neighs/atom = 55.993000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.307645616168, Press = 0.257696103967142
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -17626.633   -17626.633   -17712.787   -17712.787    333.42731    333.42731    31778.403    31778.403    623.73313    623.73313 
   26000   -17623.912   -17623.912   -17710.405   -17710.405    334.73784    334.73784    31766.896    31766.896    2141.3617    2141.3617 
Loop time of 33.5519 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.575 ns/day, 9.320 hours/ns, 29.805 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    | 32.986     | 32.986     | 32.986     |   0.0 | 98.31
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10377    | 0.10377    | 0.10377    |   0.0 |  0.31
Output  | 0.00015377 | 0.00015377 | 0.00015377 |   0.0 |  0.00
Modify  | 0.39608    | 0.39608    | 0.39608    |   0.0 |  1.18
Other   |            | 0.06552    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111978.0 ave      111978 max      111978 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111978
Ave neighs/atom = 55.989000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.377675333567, Press = 2.61025590975807
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -17623.912   -17623.912   -17710.405   -17710.405    334.73784    334.73784    31766.896    31766.896    2141.3617    2141.3617 
   27000   -17621.809   -17621.809   -17710.052   -17710.052    341.50986    341.50986    31703.663    31703.663    8477.0718    8477.0718 
Loop time of 35.1053 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.461 ns/day, 9.751 hours/ns, 28.486 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 34.496     | 34.496     | 34.496     |   0.0 | 98.26
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.10962    | 0.10962    | 0.10962    |   0.0 |  0.31
Output  | 0.00015368 | 0.00015368 | 0.00015368 |   0.0 |  0.00
Modify  | 0.43242    | 0.43242    | 0.43242    |   0.0 |  1.23
Other   |            | 0.06723    |            |       |  0.19

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111990.0 ave      111990 max      111990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111990
Ave neighs/atom = 55.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.577831011014, Press = 2.20427233605279
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -17621.809   -17621.809   -17710.052   -17710.052    341.50986    341.50986    31703.663    31703.663    8477.0718    8477.0718 
   28000   -17625.679   -17625.679   -17710.944   -17710.944    329.98485    329.98485     31794.57     31794.57   -837.93927   -837.93927 
Loop time of 32.5116 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.658 ns/day, 9.031 hours/ns, 30.758 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.97      | 31.97      | 31.97      |   0.0 | 98.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.099547   | 0.099547   | 0.099547   |   0.0 |  0.31
Output  | 0.00030541 | 0.00030541 | 0.00030541 |   0.0 |  0.00
Modify  | 0.37664    | 0.37664    | 0.37664    |   0.0 |  1.16
Other   |            | 0.06488    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111988.0 ave      111988 max      111988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111988
Ave neighs/atom = 55.994000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.589405185542, Press = 0.101949458318137
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -17625.679   -17625.679   -17710.944   -17710.944    329.98485    329.98485     31794.57     31794.57   -837.93927   -837.93927 
   29000   -17624.896   -17624.896   -17710.733   -17710.733    332.19695    332.19695    31783.038    31783.038    595.50799    595.50799 
Loop time of 32.1072 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.691 ns/day, 8.919 hours/ns, 31.146 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.569     | 31.569     | 31.569     |   0.0 | 98.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.098859   | 0.098859   | 0.098859   |   0.0 |  0.31
Output  | 0.00015421 | 0.00015421 | 0.00015421 |   0.0 |  0.00
Modify  | 0.37583    | 0.37583    | 0.37583    |   0.0 |  1.17
Other   |            | 0.06353    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111985.0 ave      111985 max      111985 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111985
Ave neighs/atom = 55.992500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.619470559658, Press = 0.849724408165788
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -17624.896   -17624.896   -17710.733   -17710.733    332.19695    332.19695    31783.038    31783.038    595.50799    595.50799 
   30000   -17627.727   -17627.727   -17711.709   -17711.709    325.01743    325.01743    31744.215    31744.215    3968.9948    3968.9948 
Loop time of 32.482 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.660 ns/day, 9.023 hours/ns, 30.786 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.938     | 31.938     | 31.938     |   0.0 | 98.32
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.099622   | 0.099622   | 0.099622   |   0.0 |  0.31
Output  | 0.00015496 | 0.00015496 | 0.00015496 |   0.0 |  0.00
Modify  | 0.38018    | 0.38018    | 0.38018    |   0.0 |  1.17
Other   |            | 0.06418    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111982.0 ave      111982 max      111982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111982
Ave neighs/atom = 55.991000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.616869325912, Press = 5.64902260636508
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -17627.727   -17627.727   -17711.709   -17711.709    325.01743    325.01743    31744.215    31744.215    3968.9948    3968.9948 
   31000   -17621.311   -17621.311   -17709.953   -17709.953    343.05524    343.05524    31792.005    31792.005   -281.44238   -281.44238 
Loop time of 32.3095 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.674 ns/day, 8.975 hours/ns, 30.951 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.771     | 31.771     | 31.771     |   0.0 | 98.33
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.098472   | 0.098472   | 0.098472   |   0.0 |  0.30
Output  | 0.00015515 | 0.00015515 | 0.00015515 |   0.0 |  0.00
Modify  | 0.37571    | 0.37571    | 0.37571    |   0.0 |  1.16
Other   |            | 0.06418    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111989.0 ave      111989 max      111989 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111989
Ave neighs/atom = 55.994500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.714337099109, Press = 2.22037237487163
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -17621.311   -17621.311   -17709.953   -17709.953    343.05524    343.05524    31792.005    31792.005   -281.44238   -281.44238 
   32000    -17627.85    -17627.85   -17711.703   -17711.703    324.51956    324.51956    31757.937    31757.937    2361.1854    2361.1854 
Loop time of 31.7156 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.724 ns/day, 8.810 hours/ns, 31.530 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 31.191     | 31.191     | 31.191     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.096565   | 0.096565   | 0.096565   |   0.0 |  0.30
Output  | 0.00015828 | 0.00015828 | 0.00015828 |   0.0 |  0.00
Modify  | 0.36452    | 0.36452    | 0.36452    |   0.0 |  1.15
Other   |            | 0.06296    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111986.0 ave      111986 max      111986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111986
Ave neighs/atom = 55.993000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.735568311487, Press = 0.374264050691475
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000    -17627.85    -17627.85   -17711.703   -17711.703    324.51956    324.51956    31757.937    31757.937    2361.1854    2361.1854 
   33000   -17623.943   -17623.943   -17711.992   -17711.992    340.76022    340.76022      31786.3      31786.3    9.2106711    9.2106711 
Loop time of 30.9068 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.795 ns/day, 8.585 hours/ns, 32.355 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.402     | 30.402     | 30.402     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093415   | 0.093415   | 0.093415   |   0.0 |  0.30
Output  | 0.00015476 | 0.00015476 | 0.00015476 |   0.0 |  0.00
Modify  | 0.34833    | 0.34833    | 0.34833    |   0.0 |  1.13
Other   |            | 0.06247    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111987.0 ave      111987 max      111987 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111987
Ave neighs/atom = 55.993500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.725960688253, Press = 1.15626921862249
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -17623.943   -17623.943   -17711.992   -17711.992    340.76022    340.76022      31786.3      31786.3    9.2106711    9.2106711 
   34000   -17627.647   -17627.647   -17712.619   -17712.619    328.84994    328.84994    31796.646    31796.646   -1213.5968   -1213.5968 
Loop time of 31.0589 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.782 ns/day, 8.627 hours/ns, 32.197 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    | 30.554     | 30.554     | 30.554     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094007   | 0.094007   | 0.094007   |   0.0 |  0.30
Output  | 0.00015702 | 0.00015702 | 0.00015702 |   0.0 |  0.00
Modify  | 0.34967    | 0.34967    | 0.34967    |   0.0 |  1.13
Other   |            | 0.06116    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111979.0 ave      111979 max      111979 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111979
Ave neighs/atom = 55.989500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.654421734981, Press = 3.73766162449422
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -17627.647   -17627.647   -17712.619   -17712.619    328.84994    328.84994    31796.646    31796.646   -1213.5968   -1213.5968 
   35000   -17624.438   -17624.438   -17712.482   -17712.482      340.738      340.738    31780.448    31780.448    217.26226    217.26226 
Loop time of 30.9244 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.794 ns/day, 8.590 hours/ns, 32.337 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    | 30.421     | 30.421     | 30.421     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.09376    | 0.09376    | 0.09376    |   0.0 |  0.30
Output  | 0.0001557  | 0.0001557  | 0.0001557  |   0.0 |  0.00
Modify  | 0.34837    | 0.34837    | 0.34837    |   0.0 |  1.13
Other   |            | 0.06124    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111985.0 ave      111985 max      111985 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111985
Ave neighs/atom = 55.992500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.617180920722, Press = 2.85434333765138
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -17624.438   -17624.438   -17712.482   -17712.482      340.738      340.738    31780.448    31780.448    217.26226    217.26226 
   36000   -17630.086   -17630.086   -17716.654   -17716.654     335.0285     335.0285    31747.191    31747.191    3218.8575    3218.8575 
Loop time of 30.9033 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.796 ns/day, 8.584 hours/ns, 32.359 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.4       | 30.4       | 30.4       |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093502   | 0.093502   | 0.093502   |   0.0 |  0.30
Output  | 0.00019581 | 0.00019581 | 0.00019581 |   0.0 |  0.00
Modify  | 0.34804    | 0.34804    | 0.34804    |   0.0 |  1.13
Other   |            | 0.06137    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111987.0 ave      111987 max      111987 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111987
Ave neighs/atom = 55.993500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.544195796549, Press = 4.60990705341575
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000   -17630.086   -17630.086   -17716.654   -17716.654     335.0285     335.0285    31747.191    31747.191    3218.8575    3218.8575 
   37000   -17623.033   -17623.033   -17708.062   -17708.062    329.07042    329.07042    31773.275    31773.275    2197.0791    2197.0791 
Loop time of 30.9223 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.794 ns/day, 8.590 hours/ns, 32.339 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    | 30.42      | 30.42      | 30.42      |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.09353    | 0.09353    | 0.09353    |   0.0 |  0.30
Output  | 0.00015563 | 0.00015563 | 0.00015563 |   0.0 |  0.00
Modify  | 0.34799    | 0.34799    | 0.34799    |   0.0 |  1.13
Other   |            | 0.06113    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111986.0 ave      111986 max      111986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111986
Ave neighs/atom = 55.993000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.540361272873, Press = 2.05127892102409
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -17623.033   -17623.033   -17708.062   -17708.062    329.07042    329.07042    31773.275    31773.275    2197.0791    2197.0791 
   38000    -17625.33    -17625.33   -17712.026   -17712.026    335.52231    335.52231    31808.662    31808.662   -1762.8789   -1762.8789 
Loop time of 30.9375 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.793 ns/day, 8.594 hours/ns, 32.323 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    | 30.435     | 30.435     | 30.435     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093332   | 0.093332   | 0.093332   |   0.0 |  0.30
Output  | 0.00015484 | 0.00015484 | 0.00015484 |   0.0 |  0.00
Modify  | 0.34829    | 0.34829    | 0.34829    |   0.0 |  1.13
Other   |            | 0.06069    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111976.0 ave      111976 max      111976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111976
Ave neighs/atom = 55.988000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.552503117332, Press = 1.28379372786586
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000    -17625.33    -17625.33   -17712.026   -17712.026    335.52231    335.52231    31808.662    31808.662   -1762.8789   -1762.8789 
   39000   -17623.628   -17623.628   -17709.903   -17709.903    333.89456    333.89456    31779.498    31779.498    1175.3386    1175.3386 
Loop time of 30.9163 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.795 ns/day, 8.588 hours/ns, 32.345 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    | 30.414     | 30.414     | 30.414     |   0.0 | 98.38
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093219   | 0.093219   | 0.093219   |   0.0 |  0.30
Output  | 0.00019043 | 0.00019043 | 0.00019043 |   0.0 |  0.00
Modify  | 0.34741    | 0.34741    | 0.34741    |   0.0 |  1.12
Other   |            | 0.06138    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111987.0 ave      111987 max      111987 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111987
Ave neighs/atom = 55.993500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.568333633587, Press = 1.84561952750393
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000   -17623.628   -17623.628   -17709.903   -17709.903    333.89456    333.89456    31779.498    31779.498    1175.3386    1175.3386 
   40000   -17629.094   -17629.094   -17715.362   -17715.362    333.86798    333.86798    31755.421    31755.421    2799.7647    2799.7647 
Loop time of 30.8769 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.798 ns/day, 8.577 hours/ns, 32.387 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    | 30.374     | 30.374     | 30.374     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093473   | 0.093473   | 0.093473   |   0.0 |  0.30
Output  | 0.00015564 | 0.00015564 | 0.00015564 |   0.0 |  0.00
Modify  | 0.34782    | 0.34782    | 0.34782    |   0.0 |  1.13
Other   |            | 0.06135    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111986.0 ave      111986 max      111986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111986
Ave neighs/atom = 55.993000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.534227531433, Press = 0.748887262488875
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -17629.094   -17629.094   -17715.362   -17715.362    333.86798    333.86798    31755.421    31755.421    2799.7647    2799.7647 
   41000   -17623.934   -17623.934   -17712.179   -17712.179    341.51588    341.51588    31816.669    31816.669   -2478.0478   -2478.0478 
Loop time of 30.9028 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.796 ns/day, 8.584 hours/ns, 32.360 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.4       | 30.4       | 30.4       |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093087   | 0.093087   | 0.093087   |   0.0 |  0.30
Output  | 0.00019274 | 0.00019274 | 0.00019274 |   0.0 |  0.00
Modify  | 0.34783    | 0.34783    | 0.34783    |   0.0 |  1.13
Other   |            | 0.06155    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111990.0 ave      111990 max      111990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111990
Ave neighs/atom = 55.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.542394698277, Press = 1.87691377940998
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -17623.934   -17623.934   -17712.179   -17712.179    341.51588    341.51588    31816.669    31816.669   -2478.0478   -2478.0478 
   42000     -17630.2     -17630.2   -17713.688   -17713.688    323.10407    323.10407    31815.595    31815.595   -3544.5762   -3544.5762 
Loop time of 30.8712 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.799 ns/day, 8.575 hours/ns, 32.393 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    | 30.369     | 30.369     | 30.369     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.09323    | 0.09323    | 0.09323    |   0.0 |  0.30
Output  | 0.00015534 | 0.00015534 | 0.00015534 |   0.0 |  0.00
Modify  | 0.34733    | 0.34733    | 0.34733    |   0.0 |  1.13
Other   |            | 0.06193    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111987.0 ave      111987 max      111987 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111987
Ave neighs/atom = 55.993500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.485943945258, Press = 1.50159617965868
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000     -17630.2     -17630.2   -17713.688   -17713.688    323.10407    323.10407    31815.595    31815.595   -3544.5762   -3544.5762 
   43000   -17623.022   -17623.022   -17708.542   -17708.542    330.97468    330.97468    31796.419    31796.419   -911.24386   -911.24386 
Loop time of 30.8955 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.797 ns/day, 8.582 hours/ns, 32.367 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.391     | 30.391     | 30.391     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094064   | 0.094064   | 0.094064   |   0.0 |  0.30
Output  | 0.00015534 | 0.00015534 | 0.00015534 |   0.0 |  0.00
Modify  | 0.34852    | 0.34852    | 0.34852    |   0.0 |  1.13
Other   |            | 0.06191    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111981.0 ave      111981 max      111981 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111981
Ave neighs/atom = 55.990500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.461375069133, Press = 1.97269303193128
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -17623.022   -17623.022   -17708.542   -17708.542    330.97468    330.97468    31796.419    31796.419   -911.24386   -911.24386 
   44000   -17628.151   -17628.151   -17713.364   -17713.364    329.78378    329.78378    31770.153    31770.153    1011.2241    1011.2241 
Loop time of 30.9205 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.794 ns/day, 8.589 hours/ns, 32.341 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    | 30.417     | 30.417     | 30.417     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.09393    | 0.09393    | 0.09393    |   0.0 |  0.30
Output  | 0.00015742 | 0.00015742 | 0.00015742 |   0.0 |  0.00
Modify  | 0.3477     | 0.3477     | 0.3477     |   0.0 |  1.12
Other   |            | 0.06145    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111983.0 ave      111983 max      111983 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111983
Ave neighs/atom = 55.991500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.471550543351, Press = 1.26800263839784
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -17628.151   -17628.151   -17713.364   -17713.364    329.78378    329.78378    31770.153    31770.153    1011.2241    1011.2241 
   45000   -17627.044   -17627.044   -17711.755   -17711.755    327.83982    327.83982      31754.6      31754.6    3140.6964    3140.6964 
Loop time of 30.9211 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.794 ns/day, 8.589 hours/ns, 32.340 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    | 30.418     | 30.418     | 30.418     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.092562   | 0.092562   | 0.092562   |   0.0 |  0.30
Output  | 0.00015455 | 0.00015455 | 0.00015455 |   0.0 |  0.00
Modify  | 0.34872    | 0.34872    | 0.34872    |   0.0 |  1.13
Other   |            | 0.06156    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111988.0 ave      111988 max      111988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111988
Ave neighs/atom = 55.994000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.502547677975, Press = 0.500613858838359
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -17627.044   -17627.044   -17711.755   -17711.755    327.83982    327.83982      31754.6      31754.6    3140.6964    3140.6964 
   46000   -17622.931   -17622.931   -17710.283   -17710.283    338.06039    338.06039    31784.077    31784.077    365.46934    365.46934 
Loop time of 30.9053 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.796 ns/day, 8.585 hours/ns, 32.357 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    | 30.403     | 30.403     | 30.403     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.092864   | 0.092864   | 0.092864   |   0.0 |  0.30
Output  | 0.00015707 | 0.00015707 | 0.00015707 |   0.0 |  0.00
Modify  | 0.34818    | 0.34818    | 0.34818    |   0.0 |  1.13
Other   |            | 0.06113    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111986.0 ave      111986 max      111986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111986
Ave neighs/atom = 55.993000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.53020863646, Press = 0.716032680409483
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -17622.931   -17622.931   -17710.283   -17710.283    338.06039    338.06039    31784.077    31784.077    365.46934    365.46934 
   47000   -17625.405   -17625.405   -17711.709   -17711.709    334.00598    334.00598    31793.682    31793.682   -993.48479   -993.48479 
Loop time of 30.9301 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.793 ns/day, 8.592 hours/ns, 32.331 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    | 30.426     | 30.426     | 30.426     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.09422    | 0.09422    | 0.09422    |   0.0 |  0.30
Output  | 0.00015449 | 0.00015449 | 0.00015449 |   0.0 |  0.00
Modify  | 0.34882    | 0.34882    | 0.34882    |   0.0 |  1.13
Other   |            | 0.06131    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111990.0 ave      111990 max      111990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111990
Ave neighs/atom = 55.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.560481101797, Press = 0.63908534145997
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -17625.405   -17625.405   -17711.709   -17711.709    334.00598    334.00598    31793.682    31793.682   -993.48479   -993.48479 
   48000   -17620.275   -17620.275   -17707.482   -17707.482    337.50034    337.50034     31774.92     31774.92    1263.0841    1263.0841 
Loop time of 30.9113 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.795 ns/day, 8.586 hours/ns, 32.351 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.408     | 30.408     | 30.408     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093851   | 0.093851   | 0.093851   |   0.0 |  0.30
Output  | 0.00015651 | 0.00015651 | 0.00015651 |   0.0 |  0.00
Modify  | 0.34811    | 0.34811    | 0.34811    |   0.0 |  1.13
Other   |            | 0.06132    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111989.0 ave      111989 max      111989 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111989
Ave neighs/atom = 55.994500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.559630652703, Press = 1.48134312557836
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -17620.275   -17620.275   -17707.482   -17707.482    337.50034    337.50034     31774.92     31774.92    1263.0841    1263.0841 
   49000   -17626.034   -17626.034   -17711.342   -17711.342    330.14885    330.14885     31756.11     31756.11    2005.0309    2005.0309 
Loop time of 30.8639 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.799 ns/day, 8.573 hours/ns, 32.400 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    | 30.36      | 30.36      | 30.36      |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.09373    | 0.09373    | 0.09373    |   0.0 |  0.30
Output  | 0.00019524 | 0.00019524 | 0.00019524 |   0.0 |  0.00
Modify  | 0.34837    | 0.34837    | 0.34837    |   0.0 |  1.13
Other   |            | 0.06171    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111990.0 ave      111990 max      111990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111990
Ave neighs/atom = 55.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.652521108761, Press = 1.54257759380075
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -17626.034   -17626.034   -17711.342   -17711.342    330.14885    330.14885     31756.11     31756.11    2005.0309    2005.0309 
   50000   -17622.722   -17622.722    -17712.08    -17712.08    345.82729    345.82729    31752.372    31752.372     3468.605     3468.605 
Loop time of 30.954 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.791 ns/day, 8.598 hours/ns, 32.306 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    | 30.451     | 30.451     | 30.451     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093775   | 0.093775   | 0.093775   |   0.0 |  0.30
Output  | 0.0001569  | 0.0001569  | 0.0001569  |   0.0 |  0.00
Modify  | 0.34828    | 0.34828    | 0.34828    |   0.0 |  1.13
Other   |            | 0.06092    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111987.0 ave      111987 max      111987 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111987
Ave neighs/atom = 55.993500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.67541698012, Press = 1.50668116158094
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -17622.722   -17622.722    -17712.08    -17712.08    345.82729    345.82729    31752.372    31752.372     3468.605     3468.605 
   51000   -17626.631   -17626.631   -17712.749   -17712.749    333.28333    333.28333    31778.972    31778.972    1199.8525    1199.8525 
Loop time of 30.8742 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.798 ns/day, 8.576 hours/ns, 32.390 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    | 30.372     | 30.372     | 30.372     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.092421   | 0.092421   | 0.092421   |   0.0 |  0.30
Output  | 0.00015639 | 0.00015639 | 0.00015639 |   0.0 |  0.00
Modify  | 0.34804    | 0.34804    | 0.34804    |   0.0 |  1.13
Other   |            | 0.06117    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111983.0 ave      111983 max      111983 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111983
Ave neighs/atom = 55.991500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.694572429341, Press = 1.47592994661104
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -17626.631   -17626.631   -17712.749   -17712.749    333.28333    333.28333    31778.972    31778.972    1199.8525    1199.8525 
   52000   -17622.526   -17622.526   -17712.295   -17712.295    347.41381    347.41381     31784.39     31784.39   -14.696277   -14.696277 
Loop time of 30.9149 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.795 ns/day, 8.587 hours/ns, 32.347 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    | 30.411     | 30.411     | 30.411     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093925   | 0.093925   | 0.093925   |   0.0 |  0.30
Output  | 0.0001553  | 0.0001553  | 0.0001553  |   0.0 |  0.00
Modify  | 0.34857    | 0.34857    | 0.34857    |   0.0 |  1.13
Other   |            | 0.0609     |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111985.0 ave      111985 max      111985 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111985
Ave neighs/atom = 55.992500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.69385656216, Press = 0.805572657413467
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -17622.526   -17622.526   -17712.295   -17712.295    347.41381    347.41381     31784.39     31784.39   -14.696277   -14.696277 
   53000   -17622.376   -17622.376   -17710.253   -17710.253     340.0935     340.0935    31760.555    31760.555    1961.5315    1961.5315 
Loop time of 30.8827 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.798 ns/day, 8.579 hours/ns, 32.381 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    | 30.379     | 30.379     | 30.379     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093757   | 0.093757   | 0.093757   |   0.0 |  0.30
Output  | 0.00042359 | 0.00042359 | 0.00042359 |   0.0 |  0.00
Modify  | 0.34854    | 0.34854    | 0.34854    |   0.0 |  1.13
Other   |            | 0.06094    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111983.0 ave      111983 max      111983 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111983
Ave neighs/atom = 55.991500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.773885857873, Press = 0.530467425746785
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -17622.376   -17622.376   -17710.253   -17710.253     340.0935     340.0935    31760.555    31760.555    1961.5315    1961.5315 
   54000   -17623.216   -17623.216   -17710.922   -17710.922    339.43062    339.43062    31804.621    31804.621   -1565.5722   -1565.5722 
Loop time of 30.9127 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.795 ns/day, 8.587 hours/ns, 32.349 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.409     | 30.409     | 30.409     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093185   | 0.093185   | 0.093185   |   0.0 |  0.30
Output  | 0.00015473 | 0.00015473 | 0.00015473 |   0.0 |  0.00
Modify  | 0.34871    | 0.34871    | 0.34871    |   0.0 |  1.13
Other   |            | 0.06173    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111974.0 ave      111974 max      111974 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111974
Ave neighs/atom = 55.987000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.773885900674, Press = -0.25355583935866
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -17623.216   -17623.216   -17710.922   -17710.922    339.43062    339.43062    31804.621    31804.621   -1565.5722   -1565.5722 
   55000   -17624.299   -17624.299   -17711.146   -17711.146    336.10722    336.10722    31850.839    31850.839   -6045.5149   -6045.5149 
Loop time of 30.9527 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.791 ns/day, 8.598 hours/ns, 32.307 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.448     | 30.448     | 30.448     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093734   | 0.093734   | 0.093734   |   0.0 |  0.30
Output  | 0.0001545  | 0.0001545  | 0.0001545  |   0.0 |  0.00
Modify  | 0.34946    | 0.34946    | 0.34946    |   0.0 |  1.13
Other   |            | 0.0614     |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111984.0 ave      111984 max      111984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111984
Ave neighs/atom = 55.992000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.746684778616, Press = -0.489125169690693
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -17624.299   -17624.299   -17711.146   -17711.146    336.10722    336.10722    31850.839    31850.839   -6045.5149   -6045.5149 
   56000   -17622.564   -17622.564   -17710.819   -17710.819    341.55618    341.55618    31803.995    31803.995   -952.69247   -952.69247 
Loop time of 31.0187 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.785 ns/day, 8.616 hours/ns, 32.239 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    | 30.512     | 30.512     | 30.512     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093844   | 0.093844   | 0.093844   |   0.0 |  0.30
Output  | 0.00015553 | 0.00015553 | 0.00015553 |   0.0 |  0.00
Modify  | 0.35016    | 0.35016    | 0.35016    |   0.0 |  1.13
Other   |            | 0.06206    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111977.0 ave      111977 max      111977 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111977
Ave neighs/atom = 55.988500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.726427967464, Press = 0.434434571172535
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -17622.564   -17622.564   -17710.819   -17710.819    341.55618    341.55618    31803.995    31803.995   -952.69247   -952.69247 
   57000   -17625.032   -17625.032   -17710.644   -17710.644     331.3259     331.3259    31779.724    31779.724    1067.1485    1067.1485 
Loop time of 30.9668 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.790 ns/day, 8.602 hours/ns, 32.293 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.46      | 30.46      | 30.46      |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.09431    | 0.09431    | 0.09431    |   0.0 |  0.30
Output  | 0.0001549  | 0.0001549  | 0.0001549  |   0.0 |  0.00
Modify  | 0.34987    | 0.34987    | 0.34987    |   0.0 |  1.13
Other   |            | 0.06204    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111981.0 ave      111981 max      111981 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111981
Ave neighs/atom = 55.990500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.728705387422, Press = 1.26314158814789
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -17625.032   -17625.032   -17710.644   -17710.644     331.3259     331.3259    31779.724    31779.724    1067.1485    1067.1485 
   58000   -17626.147   -17626.147   -17711.559   -17711.559    330.55132    330.55132    31778.697    31778.697    816.72693    816.72693 
Loop time of 30.9301 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.793 ns/day, 8.592 hours/ns, 32.331 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    | 30.423     | 30.423     | 30.423     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.09414    | 0.09414    | 0.09414    |   0.0 |  0.30
Output  | 0.00015627 | 0.00015627 | 0.00015627 |   0.0 |  0.00
Modify  | 0.35036    | 0.35036    | 0.35036    |   0.0 |  1.13
Other   |            | 0.06212    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111989.0 ave      111989 max      111989 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111989
Ave neighs/atom = 55.994500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.729255055984, Press = 0.624828132352033
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -17626.147   -17626.147   -17711.559   -17711.559    330.55132    330.55132    31778.697    31778.697    816.72693    816.72693 
   59000    -17626.39    -17626.39   -17712.847   -17712.847    334.59725    334.59725    31792.783    31792.783   -721.35835   -721.35835 
Loop time of 30.9409 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.792 ns/day, 8.595 hours/ns, 32.320 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.436     | 30.436     | 30.436     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094159   | 0.094159   | 0.094159   |   0.0 |  0.30
Output  | 0.00015604 | 0.00015604 | 0.00015604 |   0.0 |  0.00
Modify  | 0.34924    | 0.34924    | 0.34924    |   0.0 |  1.13
Other   |            | 0.06174    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111987.0 ave      111987 max      111987 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111987
Ave neighs/atom = 55.993500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.767336159359, Press = 0.510134254412547
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000    -17626.39    -17626.39   -17712.847   -17712.847    334.59725    334.59725    31792.783    31792.783   -721.35835   -721.35835 
   60000   -17620.505   -17620.505   -17709.344   -17709.344    343.81496    343.81496    31795.566    31795.566   -611.07199   -611.07199 
Loop time of 30.9747 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.789 ns/day, 8.604 hours/ns, 32.284 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    | 30.469     | 30.469     | 30.469     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093774   | 0.093774   | 0.093774   |   0.0 |  0.30
Output  | 0.00019228 | 0.00019228 | 0.00019228 |   0.0 |  0.00
Modify  | 0.35023    | 0.35023    | 0.35023    |   0.0 |  1.13
Other   |            | 0.06151    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111988.0 ave      111988 max      111988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111988
Ave neighs/atom = 55.994000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.809620443289, Press = -0.765775303969795
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -17620.505   -17620.505   -17709.344   -17709.344    343.81496    343.81496    31795.566    31795.566   -611.07199   -611.07199 
   61000   -17627.086   -17627.086   -17711.034   -17711.034    324.88869    324.88869    31790.499    31790.499   -594.59075   -594.59075 
Loop time of 30.995 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.788 ns/day, 8.610 hours/ns, 32.263 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    | 30.488     | 30.488     | 30.488     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094487   | 0.094487   | 0.094487   |   0.0 |  0.30
Output  | 0.00015589 | 0.00015589 | 0.00015589 |   0.0 |  0.00
Modify  | 0.35071    | 0.35071    | 0.35071    |   0.0 |  1.13
Other   |            | 0.06203    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111980.0 ave      111980 max      111980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111980
Ave neighs/atom = 55.990000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.841489710365, Press = 1.03476812016958
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -17627.086   -17627.086   -17711.034   -17711.034    324.88869    324.88869    31790.499    31790.499   -594.59075   -594.59075 
   62000   -17624.608   -17624.608   -17709.948   -17709.948    330.27694    330.27694    31833.072    31833.072   -4697.8131   -4697.8131 
Loop time of 31.0127 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.786 ns/day, 8.615 hours/ns, 32.245 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.506     | 30.506     | 30.506     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094309   | 0.094309   | 0.094309   |   0.0 |  0.30
Output  | 0.00015582 | 0.00015582 | 0.00015582 |   0.0 |  0.00
Modify  | 0.3499     | 0.3499     | 0.3499     |   0.0 |  1.13
Other   |            | 0.06259    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111993.0 ave      111993 max      111993 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111993
Ave neighs/atom = 55.996500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.824172283094, Press = 0.897164670214727
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -17624.608   -17624.608   -17709.948   -17709.948    330.27694    330.27694    31833.072    31833.072   -4697.8131   -4697.8131 
   63000   -17625.464   -17625.464   -17711.576   -17711.576    333.25957    333.25957    31820.431    31820.431   -3078.9742   -3078.9742 
Loop time of 31.064 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.781 ns/day, 8.629 hours/ns, 32.192 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.557     | 30.557     | 30.557     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.09373    | 0.09373    | 0.09373    |   0.0 |  0.30
Output  | 0.00015447 | 0.00015447 | 0.00015447 |   0.0 |  0.00
Modify  | 0.35136    | 0.35136    | 0.35136    |   0.0 |  1.13
Other   |            | 0.06187    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111983.0 ave      111983 max      111983 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111983
Ave neighs/atom = 55.991500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.783493023917, Press = 0.815780039354382
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -17625.464   -17625.464   -17711.576   -17711.576    333.25957    333.25957    31820.431    31820.431   -3078.9742   -3078.9742 
   64000   -17624.549   -17624.549   -17709.907   -17709.907    330.34761    330.34761    31794.952    31794.952   -499.98771   -499.98771 
Loop time of 30.9847 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.788 ns/day, 8.607 hours/ns, 32.274 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.479     | 30.479     | 30.479     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093554   | 0.093554   | 0.093554   |   0.0 |  0.30
Output  | 0.00015559 | 0.00015559 | 0.00015559 |   0.0 |  0.00
Modify  | 0.35008    | 0.35008    | 0.35008    |   0.0 |  1.13
Other   |            | 0.06189    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111979.0 ave      111979 max      111979 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111979
Ave neighs/atom = 55.989500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.76610667673, Press = 0.542298652826292
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -17624.549   -17624.549   -17709.907   -17709.907    330.34761    330.34761    31794.952    31794.952   -499.98771   -499.98771 
   65000   -17625.761   -17625.761   -17711.738   -17711.738    332.73912    332.73912    31770.233    31770.233    1865.7558    1865.7558 
Loop time of 30.9757 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.789 ns/day, 8.604 hours/ns, 32.283 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.468     | 30.468     | 30.468     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093972   | 0.093972   | 0.093972   |   0.0 |  0.30
Output  | 0.00015413 | 0.00015413 | 0.00015413 |   0.0 |  0.00
Modify  | 0.35106    | 0.35106    | 0.35106    |   0.0 |  1.13
Other   |            | 0.062      |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111979.0 ave      111979 max      111979 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111979
Ave neighs/atom = 55.989500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.778782568897, Press = -0.0902455560524525
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -17625.761   -17625.761   -17711.738   -17711.738    332.73912    332.73912    31770.233    31770.233    1865.7558    1865.7558 
   66000   -17620.735   -17620.735   -17708.795   -17708.795    340.80214    340.80214    31764.261    31764.261    2393.2349    2393.2349 
Loop time of 30.9706 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.790 ns/day, 8.603 hours/ns, 32.289 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    | 30.461     | 30.461     | 30.461     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.09417    | 0.09417    | 0.09417    |   0.0 |  0.30
Output  | 0.00015574 | 0.00015574 | 0.00015574 |   0.0 |  0.00
Modify  | 0.35302    | 0.35302    | 0.35302    |   0.0 |  1.14
Other   |            | 0.06225    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111988.0 ave      111988 max      111988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111988
Ave neighs/atom = 55.994000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.806003297379, Press = 0.464233117428165
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -17620.735   -17620.735   -17708.795   -17708.795    340.80214    340.80214    31764.261    31764.261    2393.2349    2393.2349 
   67000   -17626.434   -17626.434   -17712.992   -17712.992    334.98958    334.98958    31773.427    31773.427    1708.6741    1708.6741 
Loop time of 30.9657 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.790 ns/day, 8.602 hours/ns, 32.294 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    | 30.459     | 30.459     | 30.459     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094461   | 0.094461   | 0.094461   |   0.0 |  0.31
Output  | 0.00015458 | 0.00015458 | 0.00015458 |   0.0 |  0.00
Modify  | 0.35042    | 0.35042    | 0.35042    |   0.0 |  1.13
Other   |            | 0.06209    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111985.0 ave      111985 max      111985 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111985
Ave neighs/atom = 55.992500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.852000870995, Press = 0.132902619938433
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000   -17626.434   -17626.434   -17712.992   -17712.992    334.98958    334.98958    31773.427    31773.427    1708.6741    1708.6741 
   68000    -17621.87    -17621.87   -17709.894   -17709.894    340.66228    340.66228    31818.686    31818.686   -2887.0001   -2887.0001 
Loop time of 30.946 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.792 ns/day, 8.596 hours/ns, 32.314 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    | 30.438     | 30.438     | 30.438     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093959   | 0.093959   | 0.093959   |   0.0 |  0.30
Output  | 0.00015604 | 0.00015604 | 0.00015604 |   0.0 |  0.00
Modify  | 0.35204    | 0.35204    | 0.35204    |   0.0 |  1.14
Other   |            | 0.06198    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111994.0 ave      111994 max      111994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111994
Ave neighs/atom = 55.997000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.885635161679, Press = 0.168236448128181
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000    -17621.87    -17621.87   -17709.894   -17709.894    340.66228    340.66228    31818.686    31818.686   -2887.0001   -2887.0001 
   69000   -17624.243   -17624.243   -17707.393   -17707.393    321.80057    321.80057    31804.795    31804.795   -1108.4565   -1108.4565 
Loop time of 30.9888 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.788 ns/day, 8.608 hours/ns, 32.270 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.481     | 30.481     | 30.481     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094517   | 0.094517   | 0.094517   |   0.0 |  0.31
Output  | 0.00015427 | 0.00015427 | 0.00015427 |   0.0 |  0.00
Modify  | 0.35129    | 0.35129    | 0.35129    |   0.0 |  1.13
Other   |            | 0.06192    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111983.0 ave      111983 max      111983 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111983
Ave neighs/atom = 55.991500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.877297675755, Press = 0.770783781761117
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -17624.243   -17624.243   -17707.393   -17707.393    321.80057    321.80057    31804.795    31804.795   -1108.4565   -1108.4565 
   70000   -17628.373   -17628.373   -17714.621   -17714.621     333.7887     333.7887    31774.987    31774.987    1175.2195    1175.2195 
Loop time of 30.9514 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.791 ns/day, 8.598 hours/ns, 32.309 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.443     | 30.443     | 30.443     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094025   | 0.094025   | 0.094025   |   0.0 |  0.30
Output  | 0.00015618 | 0.00015618 | 0.00015618 |   0.0 |  0.00
Modify  | 0.35149    | 0.35149    | 0.35149    |   0.0 |  1.14
Other   |            | 0.06235    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111975.0 ave      111975 max      111975 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111975
Ave neighs/atom = 55.987500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.862705993374, Press = -0.180871535085856
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -17628.373   -17628.373   -17714.621   -17714.621     333.7887     333.7887    31774.987    31774.987    1175.2195    1175.2195 
   71000   -17622.445   -17622.445   -17710.752   -17710.752    341.75852    341.75852    31803.632    31803.632   -1170.0081   -1170.0081 
Loop time of 30.959 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.791 ns/day, 8.600 hours/ns, 32.301 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    | 30.451     | 30.451     | 30.451     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094403   | 0.094403   | 0.094403   |   0.0 |  0.30
Output  | 0.00015545 | 0.00015545 | 0.00015545 |   0.0 |  0.00
Modify  | 0.35122    | 0.35122    | 0.35122    |   0.0 |  1.13
Other   |            | 0.06209    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111985.0 ave      111985 max      111985 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111985
Ave neighs/atom = 55.992500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.857698731202, Press = -0.363559173174155
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -17622.445   -17622.445   -17710.752   -17710.752    341.75852    341.75852    31803.632    31803.632   -1170.0081   -1170.0081 
   72000   -17625.338   -17625.338   -17710.416   -17710.416    329.26135    329.26135    31844.189    31844.189   -5202.5406   -5202.5406 
Loop time of 30.9251 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.794 ns/day, 8.590 hours/ns, 32.336 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    | 30.418     | 30.418     | 30.418     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094812   | 0.094812   | 0.094812   |   0.0 |  0.31
Output  | 0.00015552 | 0.00015552 | 0.00015552 |   0.0 |  0.00
Modify  | 0.35111    | 0.35111    | 0.35111    |   0.0 |  1.14
Other   |            | 0.06127    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111984.0 ave      111984 max      111984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111984
Ave neighs/atom = 55.992000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.874376976787, Press = 0.255047237386784
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -17625.338   -17625.338   -17710.416   -17710.416    329.26135    329.26135    31844.189    31844.189   -5202.5406   -5202.5406 
   73000   -17622.256   -17622.256   -17709.016   -17709.016    335.77206    335.77206    31834.162    31834.162   -4180.3392   -4180.3392 
Loop time of 30.9755 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.789 ns/day, 8.604 hours/ns, 32.284 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    | 30.468     | 30.468     | 30.468     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094727   | 0.094727   | 0.094727   |   0.0 |  0.31
Output  | 0.00015799 | 0.00015799 | 0.00015799 |   0.0 |  0.00
Modify  | 0.3509     | 0.3509     | 0.3509     |   0.0 |  1.13
Other   |            | 0.062      |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111983.0 ave      111983 max      111983 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111983
Ave neighs/atom = 55.991500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.911712948899, Press = 0.314807602794303
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -17622.256   -17622.256   -17709.016   -17709.016    335.77206    335.77206    31834.162    31834.162   -4180.3392   -4180.3392 
   74000   -17626.102   -17626.102   -17713.194   -17713.194    337.05753    337.05753    31794.106    31794.106   -956.13005   -956.13005 
Loop time of 31.005 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.787 ns/day, 8.612 hours/ns, 32.253 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.497     | 30.497     | 30.497     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094136   | 0.094136   | 0.094136   |   0.0 |  0.30
Output  | 0.00019871 | 0.00019871 | 0.00019871 |   0.0 |  0.00
Modify  | 0.35197    | 0.35197    | 0.35197    |   0.0 |  1.14
Other   |            | 0.06191    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111981.0 ave      111981 max      111981 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111981
Ave neighs/atom = 55.990500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.921280468574, Press = 0.208466998632183
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -17626.102   -17626.102   -17713.194   -17713.194    337.05753    337.05753    31794.106    31794.106   -956.13005   -956.13005 
   75000   -17625.516   -17625.516   -17710.368   -17710.368    328.38524    328.38524    31804.987    31804.987   -1459.3231   -1459.3231 
Loop time of 30.9773 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.789 ns/day, 8.605 hours/ns, 32.282 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    | 30.471     | 30.471     | 30.471     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093684   | 0.093684   | 0.093684   |   0.0 |  0.30
Output  | 0.00015731 | 0.00015731 | 0.00015731 |   0.0 |  0.00
Modify  | 0.35122    | 0.35122    | 0.35122    |   0.0 |  1.13
Other   |            | 0.06123    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111987.0 ave      111987 max      111987 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111987
Ave neighs/atom = 55.993500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.889507494988, Press = 1.22136518211791
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -17625.516   -17625.516   -17710.368   -17710.368    328.38524    328.38524    31804.987    31804.987   -1459.3231   -1459.3231 
   76000   -17629.293   -17629.293   -17715.414   -17715.414    333.29714    333.29714    31781.593    31781.593   -315.07326   -315.07326 
Loop time of 31.0142 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.786 ns/day, 8.615 hours/ns, 32.243 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.505     | 30.505     | 30.505     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094717   | 0.094717   | 0.094717   |   0.0 |  0.31
Output  | 0.00015478 | 0.00015478 | 0.00015478 |   0.0 |  0.00
Modify  | 0.35162    | 0.35162    | 0.35162    |   0.0 |  1.13
Other   |            | 0.06245    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111979.0 ave      111979 max      111979 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111979
Ave neighs/atom = 55.989500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.874728726872, Press = 0.941971387052114
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000   -17629.293   -17629.293   -17715.414   -17715.414    333.29714    333.29714    31781.593    31781.593   -315.07326   -315.07326 
   77000   -17626.353   -17626.353   -17710.992   -17710.992      327.558      327.558    31756.279    31756.279    3141.5375    3141.5375 
Loop time of 30.9434 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.792 ns/day, 8.595 hours/ns, 32.317 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    | 30.436     | 30.436     | 30.436     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094109   | 0.094109   | 0.094109   |   0.0 |  0.30
Output  | 0.00015602 | 0.00015602 | 0.00015602 |   0.0 |  0.00
Modify  | 0.35106    | 0.35106    | 0.35106    |   0.0 |  1.13
Other   |            | 0.06213    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111987.0 ave      111987 max      111987 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111987
Ave neighs/atom = 55.993500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.846149325028, Press = 0.653761881627228
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000   -17626.353   -17626.353   -17710.992   -17710.992      327.558      327.558    31756.279    31756.279    3141.5375    3141.5375 
   78000   -17620.583   -17620.583   -17710.917   -17710.917    349.60269    349.60269     31807.08     31807.08   -2117.8947   -2117.8947 
Loop time of 31.0361 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.784 ns/day, 8.621 hours/ns, 32.220 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.529     | 30.529     | 30.529     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.094803   | 0.094803   | 0.094803   |   0.0 |  0.31
Output  | 0.00015526 | 0.00015526 | 0.00015526 |   0.0 |  0.00
Modify  | 0.34985    | 0.34985    | 0.34985    |   0.0 |  1.13
Other   |            | 0.06221    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111985.0 ave      111985 max      111985 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111985
Ave neighs/atom = 55.992500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.864035828193, Press = -0.152859686739308
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   78000   -17620.583   -17620.583   -17710.917   -17710.917    349.60269    349.60269     31807.08     31807.08   -2117.8947   -2117.8947 
   79000   -17625.285   -17625.285   -17711.675   -17711.675    334.33753    334.33753    31790.521    31790.521    39.978227    39.978227 
Loop time of 30.9249 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.794 ns/day, 8.590 hours/ns, 32.336 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.418     | 30.418     | 30.418     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093757   | 0.093757   | 0.093757   |   0.0 |  0.30
Output  | 0.00015497 | 0.00015497 | 0.00015497 |   0.0 |  0.00
Modify  | 0.35124    | 0.35124    | 0.35124    |   0.0 |  1.14
Other   |            | 0.06222    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111985.0 ave      111985 max      111985 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111985
Ave neighs/atom = 55.992500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.899393463147, Press = 0.197007263389735
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   79000   -17625.285   -17625.285   -17711.675   -17711.675    334.33753    334.33753    31790.521    31790.521    39.978227    39.978227 
   80000   -17625.081   -17625.081   -17709.571   -17709.571    326.98765    326.98765    31783.935    31783.935    903.20421    903.20421 
Loop time of 30.9856 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.788 ns/day, 8.607 hours/ns, 32.273 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.476     | 30.476     | 30.476     |   0.0 | 98.36
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.09462    | 0.09462    | 0.09462    |   0.0 |  0.31
Output  | 0.0001564  | 0.0001564  | 0.0001564  |   0.0 |  0.00
Modify  | 0.35246    | 0.35246    | 0.35246    |   0.0 |  1.14
Other   |            | 0.06239    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111991.0 ave      111991 max      111991 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111991
Ave neighs/atom = 55.995500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.901731596222, Press = 0.254552097078739
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   80000   -17625.081   -17625.081   -17709.571   -17709.571    326.98765    326.98765    31783.935    31783.935    903.20421    903.20421 
   81000   -17624.319   -17624.319   -17711.654   -17711.654    337.99445    337.99445    31772.003    31772.003    1884.5938    1884.5938 
Loop time of 30.9153 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.795 ns/day, 8.588 hours/ns, 32.346 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 30.411     | 30.411     | 30.411     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.093711   | 0.093711   | 0.093711   |   0.0 |  0.30
Output  | 0.00014895 | 0.00014895 | 0.00014895 |   0.0 |  0.00
Modify  | 0.34886    | 0.34886    | 0.34886    |   0.0 |  1.13
Other   |            | 0.06163    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111987.0 ave      111987 max      111987 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111987
Ave neighs/atom = 55.993500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.884294211246, Press = -0.54046133885272
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   81000   -17624.319   -17624.319   -17711.654   -17711.654    337.99445    337.99445    31772.003    31772.003    1884.5938    1884.5938 
   82000   -17626.168   -17626.168   -17710.605   -17710.605    326.77691    326.77691    31779.982    31779.982    353.68196    353.68196 
Loop time of 29.429 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.936 ns/day, 8.175 hours/ns, 33.980 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.943     | 28.943     | 28.943     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.089447   | 0.089447   | 0.089447   |   0.0 |  0.30
Output  | 0.00046492 | 0.00046492 | 0.00046492 |   0.0 |  0.00
Modify  | 0.33591    | 0.33591    | 0.33591    |   0.0 |  1.14
Other   |            | 0.06045    |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111990.0 ave      111990 max      111990 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111990
Ave neighs/atom = 55.995000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.872940419461, Press = -0.643374768502035
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   82000   -17626.168   -17626.168   -17710.605   -17710.605    326.77691    326.77691    31779.982    31779.982    353.68196    353.68196 
   83000   -17622.205   -17622.205   -17709.222   -17709.222    336.76502    336.76502    31779.682    31779.682    906.30112    906.30112 
Loop time of 29.5577 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.923 ns/day, 8.210 hours/ns, 33.832 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 29.068     | 29.068     | 29.068     |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.090669   | 0.090669   | 0.090669   |   0.0 |  0.31
Output  | 0.00014771 | 0.00014771 | 0.00014771 |   0.0 |  0.00
Modify  | 0.33835    | 0.33835    | 0.33835    |   0.0 |  1.14
Other   |            | 0.06085    |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111979.0 ave      111979 max      111979 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111979
Ave neighs/atom = 55.989500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.901137440584, Press = 0.00381025588710128
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   83000   -17622.205   -17622.205   -17709.222   -17709.222    336.76502    336.76502    31779.682    31779.682    906.30112    906.30112 
   84000    -17625.65    -17625.65    -17711.83    -17711.83    333.52837    333.52837     31809.41     31809.41   -2337.2089   -2337.2089 
Loop time of 29.355 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.943 ns/day, 8.154 hours/ns, 34.066 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.87      | 28.87      | 28.87      |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.089914   | 0.089914   | 0.089914   |   0.0 |  0.31
Output  | 0.00014667 | 0.00014667 | 0.00014667 |   0.0 |  0.00
Modify  | 0.33517    | 0.33517    | 0.33517    |   0.0 |  1.14
Other   |            | 0.05932    |            |       |  0.20

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111981.0 ave      111981 max      111981 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111981
Ave neighs/atom = 55.990500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 332.923822221796, Press = 0.0810428208335276
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.891 | 4.891 | 4.891 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   84000    -17625.65    -17625.65    -17711.83    -17711.83    333.52837    333.52837     31809.41     31809.41   -2337.2089   -2337.2089 
   85000    -17620.56    -17620.56    -17705.79    -17705.79    329.84893    329.84893    31793.794    31793.794   -62.338445   -62.338445 
Loop time of 29.2955 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.949 ns/day, 8.138 hours/ns, 34.135 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.809     | 28.809     | 28.809     |   0.0 | 98.34
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.090194   | 0.090194   | 0.090194   |   0.0 |  0.31
Output  | 0.00019299 | 0.00019299 | 0.00019299 |   0.0 |  0.00
Modify  | 0.33535    | 0.33535    | 0.33535    |   0.0 |  1.14
Other   |            | 0.06028    |            |       |  0.21

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        4119.00 ave        4119 max        4119 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        111982.0 ave      111982 max      111982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 111982
Ave neighs/atom = 55.991000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
jump SELF break

# Write final averaged volume to file if temperature and volume have converged; otherwise wirte a
# flag to indicate non-convergence.
variable      myStep equal step
if "${myStep} < 2000000" then "print '${V}'  file output/vol_T333.15.out"  else  "print 'not_converged'  file output/vol_T333.15.out"
print '${V}'  file output/vol_T333.15.out
31787.2828685616

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0