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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 2.855312466621399*${_u_distance}
variable latticeconst_converted equal 2.855312466621399*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.8553124666214
Lattice spacing in x,y,z = 2.8553125 2.8553125 2.8553125
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.553125 28.553125 28.553125)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.553125 28.553125 28.553125)
  create_atoms CPU = 0.002 seconds

variable mass_converted equal 55.845*${_u_mass}
variable mass_converted equal 55.845*1

kim_interactions Fe

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

kim interactions Fe
#=== 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-XXXXXXMxEs7Y/Fe_Cr_Eich_2015_TBM_lammps.eam.alloy Fe
pair_coeff * * eam/fs /tmp/kim-shared-library-parameter-file-directory-XXXXXXMxEs7Y/Fe_Cr_Eich_2015_TBM_lammps.eam.fs Fe
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 55.845

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 23278.8179810057    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23278.8179810057/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23278.8179810057/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 23278.8179810057/(1*1*${_u_distance})
variable      V0_metal equal 23278.8179810057/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 23278.8179810057*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 23278.8179810057 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 273.15*${_u_temperature}
variable temp_converted equal 273.15*1
variable Tdamp_converted equal 0.1*${_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 273.15 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 273.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 273.15 273.15 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  "273.15 - 0.2"
variable      T_up  equal  "273.15 + 0.2"
variable      P_low equal  "0.0 - 0.2"
variable      P_up  equal  "0.0 + 0.2"

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

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

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

Your simulation uses code contributions which should be cited:

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

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

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

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.3
  ghost atom cutoff = 7.3
  binsize = 3.65, bins = 8 8 8
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair eam/alloy, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
  (2) pair eam/fs, perpetual, copy from (1)
      attributes: half, newton on
      pair build: copy
      stencil: none
      bin: none
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
       0   -7955.3851   -7955.3851   -8025.9646   -8025.9646       273.15       273.15    23278.818    23278.818    3238.4253    3238.4253 
    1000   -7881.6604   -7881.6604   -7945.8761   -7945.8761     248.5217     248.5217    23416.737    23416.737   -2223.3409   -2223.3409 
Loop time of 45.8762 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.883 ns/day, 12.743 hours/ns, 21.798 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.267     | 45.267     | 45.267     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13611    | 0.13611    | 0.13611    |   0.0 |  0.30
Output  | 0.00020004 | 0.00020004 | 0.00020004 |   0.0 |  0.00
Modify  | 0.4006     | 0.4006     | 0.4006     |   0.0 |  0.87
Other   |            | 0.0721     |            |       |  0.16

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

Total # of neighbors = 136000
Ave neighs/atom = 68.000000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -7881.6604   -7881.6604   -7945.8761   -7945.8761     248.5217     248.5217    23416.737    23416.737   -2223.3409   -2223.3409 
    2000   -7881.1172   -7881.1172   -7952.1135   -7952.1135    274.76334    274.76334     23408.59     23408.59   -2338.2135   -2338.2135 
Loop time of 46.4805 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.859 ns/day, 12.911 hours/ns, 21.514 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.875     | 45.875     | 45.875     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13573    | 0.13573    | 0.13573    |   0.0 |  0.29
Output  | 0.00019235 | 0.00019235 | 0.00019235 |   0.0 |  0.00
Modify  | 0.39703    | 0.39703    | 0.39703    |   0.0 |  0.85
Other   |            | 0.07269    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5423.00 ave        5423 max        5423 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138691.0 ave      138691 max      138691 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138691
Ave neighs/atom = 69.345500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    2000   -7881.1172   -7881.1172   -7952.1135   -7952.1135    274.76334    274.76334     23408.59     23408.59   -2338.2135   -2338.2135 
    3000   -7882.3883   -7882.3883   -7948.7381   -7948.7381    256.78041    256.78041    23376.233    23376.233    185.17108    185.17108 
Loop time of 45.6797 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.891 ns/day, 12.689 hours/ns, 21.892 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.083     | 45.083     | 45.083     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13402    | 0.13402    | 0.13402    |   0.0 |  0.29
Output  | 0.00022763 | 0.00022763 | 0.00022763 |   0.0 |  0.00
Modify  | 0.39151    | 0.39151    | 0.39151    |   0.0 |  0.86
Other   |            | 0.07132    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138300.0 ave      138300 max      138300 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138300
Ave neighs/atom = 69.150000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    3000   -7882.3883   -7882.3883   -7948.7381   -7948.7381    256.78041    256.78041    23376.233    23376.233    185.17108    185.17108 
    4000   -7880.5035   -7880.5035   -7951.4528   -7951.4528    274.58117    274.58117    23383.926    23383.926    21.045621    21.045621 
Loop time of 48.0202 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.799 ns/day, 13.339 hours/ns, 20.825 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    | 47.408     | 47.408     | 47.408     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13806    | 0.13806    | 0.13806    |   0.0 |  0.29
Output  | 0.00018974 | 0.00018974 | 0.00018974 |   0.0 |  0.00
Modify  | 0.40258    | 0.40258    | 0.40258    |   0.0 |  0.84
Other   |            | 0.07142    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5465.00 ave        5465 max        5465 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138517.0 ave      138517 max      138517 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138517
Ave neighs/atom = 69.258500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    4000   -7880.5035   -7880.5035   -7951.4528   -7951.4528    274.58117    274.58117    23383.926    23383.926    21.045621    21.045621 
    5000   -7882.8074   -7882.8074   -7952.8923   -7952.8923    271.23577    271.23577    23410.282    23410.282   -1725.4292   -1725.4292 
Loop time of 46.5381 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.857 ns/day, 12.927 hours/ns, 21.488 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.936     | 45.936     | 45.936     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13615    | 0.13615    | 0.13615    |   0.0 |  0.29
Output  | 0.000242   | 0.000242   | 0.000242   |   0.0 |  0.00
Modify  | 0.3947     | 0.3947     | 0.3947     |   0.0 |  0.85
Other   |            | 0.07067    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138359.0 ave      138359 max      138359 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138359
Ave neighs/atom = 69.179500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.562075517277, Press = 247.363817609571
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    5000   -7882.8074   -7882.8074   -7952.8923   -7952.8923    271.23577    271.23577    23410.282    23410.282   -1725.4292   -1725.4292 
    6000    -7879.969    -7879.969   -7949.9042   -7949.9042    270.65664    270.65664    23377.007    23377.007    136.90233    136.90233 
Loop time of 50.183 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.722 ns/day, 13.940 hours/ns, 19.927 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    | 49.516     | 49.516     | 49.516     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14569    | 0.14569    | 0.14569    |   0.0 |  0.29
Output  | 0.00015301 | 0.00015301 | 0.00015301 |   0.0 |  0.00
Modify  | 0.449      | 0.449      | 0.449      |   0.0 |  0.89
Other   |            | 0.07257    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5462.00 ave        5462 max        5462 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138007.0 ave      138007 max      138007 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138007
Ave neighs/atom = 69.003500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 272.517736709191, Press = -2.60724704620637
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    6000    -7879.969    -7879.969   -7949.9042   -7949.9042    270.65664    270.65664    23377.007    23377.007    136.90233    136.90233 
    7000   -7881.4709   -7881.4709   -7952.8474   -7952.8474     276.2342     276.2342    23371.306    23371.306    1088.2854    1088.2854 
Loop time of 44.8512 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.926 ns/day, 12.459 hours/ns, 22.296 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.27      | 44.27      | 44.27      |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12973    | 0.12973    | 0.12973    |   0.0 |  0.29
Output  | 0.00022853 | 0.00022853 | 0.00022853 |   0.0 |  0.00
Modify  | 0.38532    | 0.38532    | 0.38532    |   0.0 |  0.86
Other   |            | 0.06622    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138655.0 ave      138655 max      138655 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138655
Ave neighs/atom = 69.327500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.125006239144, Press = 14.4773771184199
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    7000   -7881.4709   -7881.4709   -7952.8474   -7952.8474     276.2342     276.2342    23371.306    23371.306    1088.2854    1088.2854 
    8000   -7880.7608   -7880.7608   -7950.8141   -7950.8141    271.11339    271.11339    23375.185    23375.185    60.259133    60.259133 
Loop time of 45.9362 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.881 ns/day, 12.760 hours/ns, 21.769 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.309     | 45.309     | 45.309     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13625    | 0.13625    | 0.13625    |   0.0 |  0.30
Output  | 0.00015062 | 0.00015062 | 0.00015062 |   0.0 |  0.00
Modify  | 0.4188     | 0.4188     | 0.4188     |   0.0 |  0.91
Other   |            | 0.07219    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5465.00 ave        5465 max        5465 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138296.0 ave      138296 max      138296 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138296
Ave neighs/atom = 69.148000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.228676962507, Press = 12.9823857430377
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    8000   -7880.7608   -7880.7608   -7950.8141   -7950.8141    271.11339    271.11339    23375.185    23375.185    60.259133    60.259133 
    9000   -7882.1844   -7882.1844    -7954.671    -7954.671    280.53055    280.53055    23373.891    23373.891     831.3809     831.3809 
Loop time of 50.8185 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.700 ns/day, 14.116 hours/ns, 19.678 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.169     | 50.169     | 50.169     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14348    | 0.14348    | 0.14348    |   0.0 |  0.28
Output  | 0.00015655 | 0.00015655 | 0.00015655 |   0.0 |  0.00
Modify  | 0.43591    | 0.43591    | 0.43591    |   0.0 |  0.86
Other   |            | 0.07024    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138459.0 ave      138459 max      138459 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138459
Ave neighs/atom = 69.229500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.029069637627, Press = 12.8498380266711
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    9000   -7882.1844   -7882.1844    -7954.671    -7954.671    280.53055    280.53055    23373.891    23373.891     831.3809     831.3809 
   10000   -7876.7715   -7876.7715   -7951.3632   -7951.3632    288.67743    288.67743    23407.701    23407.701   -1323.2954   -1323.2954 
Loop time of 51.5868 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.675 ns/day, 14.330 hours/ns, 19.385 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.902     | 50.902     | 50.902     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14869    | 0.14869    | 0.14869    |   0.0 |  0.29
Output  | 0.00015465 | 0.00015465 | 0.00015465 |   0.0 |  0.00
Modify  | 0.46341    | 0.46341    | 0.46341    |   0.0 |  0.90
Other   |            | 0.07236    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5467.00 ave        5467 max        5467 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138206.0 ave      138206 max      138206 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138206
Ave neighs/atom = 69.103000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.526345497033, Press = 5.01537337781146
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   10000   -7876.7715   -7876.7715   -7951.3632   -7951.3632    288.67743    288.67743    23407.701    23407.701   -1323.2954   -1323.2954 
   11000   -7882.7645   -7882.7645   -7952.7861   -7952.7861    270.99069    270.99069    23393.979    23393.979   -1008.4129   -1008.4129 
Loop time of 44.155 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.957 ns/day, 12.265 hours/ns, 22.647 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.564     | 43.564     | 43.564     |   0.0 | 98.66
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13008    | 0.13008    | 0.13008    |   0.0 |  0.29
Output  | 0.00015287 | 0.00015287 | 0.00015287 |   0.0 |  0.00
Modify  | 0.39092    | 0.39092    | 0.39092    |   0.0 |  0.89
Other   |            | 0.06978    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138237.0 ave      138237 max      138237 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138237
Ave neighs/atom = 69.118500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.738898156224, Press = -8.37555874262775
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   11000   -7882.7645   -7882.7645   -7952.7861   -7952.7861    270.99069    270.99069    23393.979    23393.979   -1008.4129   -1008.4129 
   12000   -7881.7658   -7881.7658     -7952.99     -7952.99    275.64484    275.64484    23355.175    23355.175    1500.0672    1500.0672 
Loop time of 47.0972 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.835 ns/day, 13.083 hours/ns, 21.233 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    | 46.484     | 46.484     | 46.484     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13612    | 0.13612    | 0.13612    |   0.0 |  0.29
Output  | 0.00015223 | 0.00015223 | 0.00015223 |   0.0 |  0.00
Modify  | 0.40829    | 0.40829    | 0.40829    |   0.0 |  0.87
Other   |            | 0.06828    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138268.0 ave      138268 max      138268 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138268
Ave neighs/atom = 69.134000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.49545318668, Press = -1.1474353164843
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   12000   -7881.7658   -7881.7658     -7952.99     -7952.99    275.64484    275.64484    23355.175    23355.175    1500.0672    1500.0672 
   13000   -7883.0992   -7883.0992   -7952.5978   -7952.5978    268.96667    268.96667    23369.396    23369.396    381.57933    381.57933 
Loop time of 41.4462 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.085 ns/day, 11.513 hours/ns, 24.128 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.908     | 40.908     | 40.908     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12134    | 0.12134    | 0.12134    |   0.0 |  0.29
Output  | 0.00015459 | 0.00015459 | 0.00015459 |   0.0 |  0.00
Modify  | 0.35119    | 0.35119    | 0.35119    |   0.0 |  0.85
Other   |            | 0.06541    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5464.00 ave        5464 max        5464 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138525.0 ave      138525 max      138525 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138525
Ave neighs/atom = 69.262500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.557477156231, Press = 5.85520730366171
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   13000   -7883.0992   -7883.0992   -7952.5978   -7952.5978    268.96667    268.96667    23369.396    23369.396    381.57933    381.57933 
   14000   -7879.5215   -7879.5215    -7950.922    -7950.922    276.32699    276.32699    23386.915    23386.915   -454.96022   -454.96022 
Loop time of 41.4354 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.085 ns/day, 11.510 hours/ns, 24.134 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.898     | 40.898     | 40.898     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12048    | 0.12048    | 0.12048    |   0.0 |  0.29
Output  | 0.00015749 | 0.00015749 | 0.00015749 |   0.0 |  0.00
Modify  | 0.35178    | 0.35178    | 0.35178    |   0.0 |  0.85
Other   |            | 0.06502    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138344.0 ave      138344 max      138344 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138344
Ave neighs/atom = 69.172000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.632382124015, Press = -2.10895286566901
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   14000   -7879.5215   -7879.5215    -7950.922    -7950.922    276.32699    276.32699    23386.915    23386.915   -454.96022   -454.96022 
   15000   -7882.9186   -7882.9186   -7954.6968   -7954.6968     277.7892     277.7892    23334.799    23334.799    3150.8291    3150.8291 
Loop time of 41.3981 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.087 ns/day, 11.499 hours/ns, 24.156 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.86      | 40.86      | 40.86      |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12084    | 0.12084    | 0.12084    |   0.0 |  0.29
Output  | 0.00015321 | 0.00015321 | 0.00015321 |   0.0 |  0.00
Modify  | 0.35211    | 0.35211    | 0.35211    |   0.0 |  0.85
Other   |            | 0.06498    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138549.0 ave      138549 max      138549 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138549
Ave neighs/atom = 69.274500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.542211838657, Press = -0.460828256003048
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   15000   -7882.9186   -7882.9186   -7954.6968   -7954.6968     277.7892     277.7892    23334.799    23334.799    3150.8291    3150.8291 
   16000   -7881.6353   -7881.6353   -7951.3528   -7951.3528     269.8141     269.8141    23330.604    23330.604    3836.8681    3836.8681 
Loop time of 41.4437 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.085 ns/day, 11.512 hours/ns, 24.129 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.905     | 40.905     | 40.905     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12184    | 0.12184    | 0.12184    |   0.0 |  0.29
Output  | 0.00015387 | 0.00015387 | 0.00015387 |   0.0 |  0.00
Modify  | 0.35188    | 0.35188    | 0.35188    |   0.0 |  0.85
Other   |            | 0.0646     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138438.0 ave      138438 max      138438 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138438
Ave neighs/atom = 69.219000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.518986136138, Press = 11.8110020151231
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   16000   -7881.6353   -7881.6353   -7951.3528   -7951.3528     269.8141     269.8141    23330.604    23330.604    3836.8681    3836.8681 
   17000    -7880.892    -7880.892   -7951.8623   -7951.8623    274.66247    274.66247    23400.819    23400.819   -1499.8691   -1499.8691 
Loop time of 41.4567 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.084 ns/day, 11.516 hours/ns, 24.122 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.919     | 40.919     | 40.919     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12077    | 0.12077    | 0.12077    |   0.0 |  0.29
Output  | 0.0002093  | 0.0002093  | 0.0002093  |   0.0 |  0.00
Modify  | 0.35195    | 0.35195    | 0.35195    |   0.0 |  0.85
Other   |            | 0.0649     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138679.0 ave      138679 max      138679 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138679
Ave neighs/atom = 69.339500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.546374464923, Press = 5.10045826425935
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   17000    -7880.892    -7880.892   -7951.8623   -7951.8623    274.66247    274.66247    23400.819    23400.819   -1499.8691   -1499.8691 
   18000   -7881.7606   -7881.7606     -7951.32     -7951.32    269.20188    269.20188    23385.354    23385.354   -283.95141   -283.95141 
Loop time of 41.4 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.087 ns/day, 11.500 hours/ns, 24.155 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.863     | 40.863     | 40.863     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1205     | 0.1205     | 0.1205     |   0.0 |  0.29
Output  | 0.00021881 | 0.00021881 | 0.00021881 |   0.0 |  0.00
Modify  | 0.35149    | 0.35149    | 0.35149    |   0.0 |  0.85
Other   |            | 0.06485    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138261.0 ave      138261 max      138261 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138261
Ave neighs/atom = 69.130500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.491819384819, Press = 1.33605665094139
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   18000   -7881.7606   -7881.7606     -7951.32     -7951.32    269.20188    269.20188    23385.354    23385.354   -283.95141   -283.95141 
   19000   -7880.4195   -7880.4195   -7951.8525   -7951.8525    276.45309    276.45309    23404.903    23404.903   -1372.7802   -1372.7802 
Loop time of 41.5605 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.079 ns/day, 11.545 hours/ns, 24.061 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.022     | 41.022     | 41.022     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12099    | 0.12099    | 0.12099    |   0.0 |  0.29
Output  | 0.00015456 | 0.00015456 | 0.00015456 |   0.0 |  0.00
Modify  | 0.35218    | 0.35218    | 0.35218    |   0.0 |  0.85
Other   |            | 0.06523    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138405.0 ave      138405 max      138405 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138405
Ave neighs/atom = 69.202500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.672063008449, Press = 0.796490770050075
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   19000   -7880.4195   -7880.4195   -7951.8525   -7951.8525    276.45309    276.45309    23404.903    23404.903   -1372.7802   -1372.7802 
   20000   -7883.4331   -7883.4331   -7953.4636   -7953.4636     271.0254     271.0254    23392.682    23392.682   -828.88838   -828.88838 
Loop time of 42.2208 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.046 ns/day, 11.728 hours/ns, 23.685 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.677     | 41.677     | 41.677     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1231     | 0.1231     | 0.1231     |   0.0 |  0.29
Output  | 0.00015653 | 0.00015653 | 0.00015653 |   0.0 |  0.00
Modify  | 0.35438    | 0.35438    | 0.35438    |   0.0 |  0.84
Other   |            | 0.06632    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138343.0 ave      138343 max      138343 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138343
Ave neighs/atom = 69.171500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.652017796821, Press = -3.97155763167172
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   20000   -7883.4331   -7883.4331   -7953.4636   -7953.4636     271.0254     271.0254    23392.682    23392.682   -828.88838   -828.88838 
   21000   -7880.0423   -7880.0423   -7951.4317   -7951.4317     276.2843     276.2843    23357.247    23357.247    2001.0037    2001.0037 
Loop time of 41.4039 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.087 ns/day, 11.501 hours/ns, 24.152 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.864     | 40.864     | 40.864     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12023    | 0.12023    | 0.12023    |   0.0 |  0.29
Output  | 0.00015451 | 0.00015451 | 0.00015451 |   0.0 |  0.00
Modify  | 0.35358    | 0.35358    | 0.35358    |   0.0 |  0.85
Other   |            | 0.06624    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138149.0 ave      138149 max      138149 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138149
Ave neighs/atom = 69.074500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.514718996843, Press = 0.274134674681466
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   21000   -7880.0423   -7880.0423   -7951.4317   -7951.4317     276.2843     276.2843    23357.247    23357.247    2001.0037    2001.0037 
   22000    -7881.625    -7881.625   -7951.6957   -7951.6957    271.18071    271.18071    23365.031    23365.031    1397.2919    1397.2919 
Loop time of 41.4299 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.085 ns/day, 11.508 hours/ns, 24.137 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.889     | 40.889     | 40.889     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12146    | 0.12146    | 0.12146    |   0.0 |  0.29
Output  | 0.00015528 | 0.00015528 | 0.00015528 |   0.0 |  0.00
Modify  | 0.35366    | 0.35366    | 0.35366    |   0.0 |  0.85
Other   |            | 0.06595    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138526.0 ave      138526 max      138526 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138526
Ave neighs/atom = 69.263000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.494512312968, Press = 2.45583386745216
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   22000    -7881.625    -7881.625   -7951.6957   -7951.6957    271.18071    271.18071    23365.031    23365.031    1397.2919    1397.2919 
   23000   -7880.3414   -7880.3414   -7951.8787   -7951.8787     276.8568     276.8568    23373.616    23373.616    570.06038    570.06038 
Loop time of 41.4561 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.084 ns/day, 11.516 hours/ns, 24.122 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.915     | 40.915     | 40.915     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12186    | 0.12186    | 0.12186    |   0.0 |  0.29
Output  | 0.0001553  | 0.0001553  | 0.0001553  |   0.0 |  0.00
Modify  | 0.35344    | 0.35344    | 0.35344    |   0.0 |  0.85
Other   |            | 0.06591    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138422.0 ave      138422 max      138422 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138422
Ave neighs/atom = 69.211000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.457606864539, Press = 5.05615690274288
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   23000   -7880.3414   -7880.3414   -7951.8787   -7951.8787     276.8568     276.8568    23373.616    23373.616    570.06038    570.06038 
   24000   -7881.9095   -7881.9095    -7953.527    -7953.527    277.16721    277.16721    23405.728    23405.728   -1606.2572   -1606.2572 
Loop time of 41.5772 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.078 ns/day, 11.549 hours/ns, 24.052 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.035     | 41.035     | 41.035     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12176    | 0.12176    | 0.12176    |   0.0 |  0.29
Output  | 0.00015411 | 0.00015411 | 0.00015411 |   0.0 |  0.00
Modify  | 0.3537     | 0.3537     | 0.3537     |   0.0 |  0.85
Other   |            | 0.06634    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138462.0 ave      138462 max      138462 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138462
Ave neighs/atom = 69.231000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.313019015191, Press = 6.15823846365091
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   24000   -7881.9095   -7881.9095    -7953.527    -7953.527    277.16721    277.16721    23405.728    23405.728   -1606.2572   -1606.2572 
   25000   -7881.7971   -7881.7971   -7951.6471   -7951.6471    270.32665    270.32665    23407.524    23407.524   -1699.2188   -1699.2188 
Loop time of 41.4779 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.083 ns/day, 11.522 hours/ns, 24.109 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.937     | 40.937     | 40.937     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12051    | 0.12051    | 0.12051    |   0.0 |  0.29
Output  | 0.0001548  | 0.0001548  | 0.0001548  |   0.0 |  0.00
Modify  | 0.35327    | 0.35327    | 0.35327    |   0.0 |  0.85
Other   |            | 0.06648    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138159.0 ave      138159 max      138159 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138159
Ave neighs/atom = 69.079500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.306591998597, Press = 1.96775797898156
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   25000   -7881.7971   -7881.7971   -7951.6471   -7951.6471    270.32665    270.32665    23407.524    23407.524   -1699.2188   -1699.2188 
   26000   -7882.3187   -7882.3187   -7951.4557   -7951.4557    267.56747    267.56747    23374.417    23374.417    433.52489    433.52489 
Loop time of 41.3573 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.089 ns/day, 11.488 hours/ns, 24.180 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.817     | 40.817     | 40.817     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12134    | 0.12134    | 0.12134    |   0.0 |  0.29
Output  | 0.00015616 | 0.00015616 | 0.00015616 |   0.0 |  0.00
Modify  | 0.35277    | 0.35277    | 0.35277    |   0.0 |  0.85
Other   |            | 0.06623    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138196.0 ave      138196 max      138196 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138196
Ave neighs/atom = 69.098000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.295440471825, Press = 1.40020728670638
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   26000   -7882.3187   -7882.3187   -7951.4557   -7951.4557    267.56747    267.56747    23374.417    23374.417    433.52489    433.52489 
   27000   -7881.9874   -7881.9874   -7951.2636   -7951.2636    268.10639    268.10639    23367.541    23367.541    1224.9829    1224.9829 
Loop time of 41.3826 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.088 ns/day, 11.495 hours/ns, 24.165 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.843     | 40.843     | 40.843     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12125    | 0.12125    | 0.12125    |   0.0 |  0.29
Output  | 0.00015377 | 0.00015377 | 0.00015377 |   0.0 |  0.00
Modify  | 0.35299    | 0.35299    | 0.35299    |   0.0 |  0.85
Other   |            | 0.06571    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138433.0 ave      138433 max      138433 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138433
Ave neighs/atom = 69.216500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.370518147613, Press = 1.92420813815895
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   27000   -7881.9874   -7881.9874   -7951.2636   -7951.2636    268.10639    268.10639    23367.541    23367.541    1224.9829    1224.9829 
   28000   -7882.2575   -7882.2575   -7955.6585   -7955.6585    284.06936    284.06936    23389.374    23389.374    -462.2108    -462.2108 
Loop time of 41.4597 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.084 ns/day, 11.517 hours/ns, 24.120 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.919     | 40.919     | 40.919     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12064    | 0.12064    | 0.12064    |   0.0 |  0.29
Output  | 0.00019325 | 0.00019325 | 0.00019325 |   0.0 |  0.00
Modify  | 0.35388    | 0.35388    | 0.35388    |   0.0 |  0.85
Other   |            | 0.06561    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138392.0 ave      138392 max      138392 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138392
Ave neighs/atom = 69.196000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.442460143747, Press = 3.6717242530051
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   28000   -7882.2575   -7882.2575   -7955.6585   -7955.6585    284.06936    284.06936    23389.374    23389.374    -462.2108    -462.2108 
   29000   -7880.6068   -7880.6068   -7951.0691   -7951.0691    272.69615    272.69615    23433.127    23433.127   -3514.1141   -3514.1141 
Loop time of 41.4132 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.086 ns/day, 11.504 hours/ns, 24.147 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.873     | 40.873     | 40.873     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12085    | 0.12085    | 0.12085    |   0.0 |  0.29
Output  | 0.00015525 | 0.00015525 | 0.00015525 |   0.0 |  0.00
Modify  | 0.35333    | 0.35333    | 0.35333    |   0.0 |  0.85
Other   |            | 0.06614    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138207.0 ave      138207 max      138207 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138207
Ave neighs/atom = 69.103500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.528596441681, Press = 0.672772841090098
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   29000   -7880.6068   -7880.6068   -7951.0691   -7951.0691    272.69615    272.69615    23433.127    23433.127   -3514.1141   -3514.1141 
   30000   -7882.7978   -7882.7978   -7953.0135   -7953.0135    271.74208    271.74208    23385.102    23385.102    -344.9613    -344.9613 
Loop time of 44.2834 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.951 ns/day, 12.301 hours/ns, 22.582 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.71      | 43.71      | 43.71      |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12777    | 0.12777    | 0.12777    |   0.0 |  0.29
Output  | 0.00018782 | 0.00018782 | 0.00018782 |   0.0 |  0.00
Modify  | 0.37831    | 0.37831    | 0.37831    |   0.0 |  0.85
Other   |            | 0.06711    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138180.0 ave      138180 max      138180 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138180
Ave neighs/atom = 69.090000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.562577561967, Press = -1.53841719468572
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   30000   -7882.7978   -7882.7978   -7953.0135   -7953.0135    271.74208    271.74208    23385.102    23385.102    -344.9613    -344.9613 
   31000   -7876.8015   -7876.8015   -7950.3045   -7950.3045    284.46391    284.46391    23360.327    23360.327    1743.0475    1743.0475 
Loop time of 42.2164 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.047 ns/day, 11.727 hours/ns, 23.687 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.669     | 41.669     | 41.669     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12225    | 0.12225    | 0.12225    |   0.0 |  0.29
Output  | 0.00015308 | 0.00015308 | 0.00015308 |   0.0 |  0.00
Modify  | 0.35991    | 0.35991    | 0.35991    |   0.0 |  0.85
Other   |            | 0.06544    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5439.00 ave        5439 max        5439 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138181.0 ave      138181 max      138181 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138181
Ave neighs/atom = 69.090500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.630567968318, Press = 1.85286990855186
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   31000   -7876.8015   -7876.8015   -7950.3045   -7950.3045    284.46391    284.46391    23360.327    23360.327    1743.0475    1743.0475 
   32000   -7882.0148   -7882.0148   -7952.2372   -7952.2372    271.76821    271.76821    23372.519    23372.519    531.76202    531.76202 
Loop time of 41.281 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.093 ns/day, 11.467 hours/ns, 24.224 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.744     | 40.744     | 40.744     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12039    | 0.12039    | 0.12039    |   0.0 |  0.29
Output  | 0.0001543  | 0.0001543  | 0.0001543  |   0.0 |  0.00
Modify  | 0.35129    | 0.35129    | 0.35129    |   0.0 |  0.85
Other   |            | 0.06498    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5465.00 ave        5465 max        5465 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138551.0 ave      138551 max      138551 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138551
Ave neighs/atom = 69.275500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.646388223661, Press = 1.71704230821932
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   32000   -7882.0148   -7882.0148   -7952.2372   -7952.2372    271.76821    271.76821    23372.519    23372.519    531.76202    531.76202 
   33000   -7878.4896   -7878.4896   -7951.6036   -7951.6036    282.95893    282.95893    23375.478    23375.478    625.81214    625.81214 
Loop time of 41.3375 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.090 ns/day, 11.483 hours/ns, 24.191 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.8       | 40.8       | 40.8       |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12119    | 0.12119    | 0.12119    |   0.0 |  0.29
Output  | 0.00015563 | 0.00015563 | 0.00015563 |   0.0 |  0.00
Modify  | 0.35113    | 0.35113    | 0.35113    |   0.0 |  0.85
Other   |            | 0.0646     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138395.0 ave      138395 max      138395 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138395
Ave neighs/atom = 69.197500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.693118431289, Press = 0.692943804436763
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   33000   -7878.4896   -7878.4896   -7951.6036   -7951.6036    282.95893    282.95893    23375.478    23375.478    625.81214    625.81214 
   34000   -7884.4025   -7884.4025   -7953.6846   -7953.6846    268.12877    268.12877    23363.438    23363.438    1205.6821    1205.6821 
Loop time of 41.7497 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.069 ns/day, 11.597 hours/ns, 23.952 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.205     | 41.205     | 41.205     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12244    | 0.12244    | 0.12244    |   0.0 |  0.29
Output  | 0.00015167 | 0.00015167 | 0.00015167 |   0.0 |  0.00
Modify  | 0.35736    | 0.35736    | 0.35736    |   0.0 |  0.86
Other   |            | 0.06481    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138532.0 ave      138532 max      138532 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138532
Ave neighs/atom = 69.266000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.663111074313, Press = 1.42632654001015
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   34000   -7884.4025   -7884.4025   -7953.6846   -7953.6846    268.12877    268.12877    23363.438    23363.438    1205.6821    1205.6821 
   35000   -7879.4466   -7879.4466   -7951.1181   -7951.1181    277.37612    277.37612      23390.6      23390.6   -409.71863   -409.71863 
Loop time of 41.5799 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.078 ns/day, 11.550 hours/ns, 24.050 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.04      | 41.04      | 41.04      |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12189    | 0.12189    | 0.12189    |   0.0 |  0.29
Output  | 0.00015328 | 0.00015328 | 0.00015328 |   0.0 |  0.00
Modify  | 0.35388    | 0.35388    | 0.35388    |   0.0 |  0.85
Other   |            | 0.06423    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5465.00 ave        5465 max        5465 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138420.0 ave      138420 max      138420 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138420
Ave neighs/atom = 69.210000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.626183696189, Press = 3.464176002591
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   35000   -7879.4466   -7879.4466   -7951.1181   -7951.1181    277.37612    277.37612      23390.6      23390.6   -409.71863   -409.71863 
   36000    -7879.975    -7879.975   -7949.9364   -7949.9364     270.7578     270.7578     23446.98     23446.98   -4251.2891   -4251.2891 
Loop time of 41.4797 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.083 ns/day, 11.522 hours/ns, 24.108 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.94      | 40.94      | 40.94      |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12115    | 0.12115    | 0.12115    |   0.0 |  0.29
Output  | 0.00015409 | 0.00015409 | 0.00015409 |   0.0 |  0.00
Modify  | 0.35333    | 0.35333    | 0.35333    |   0.0 |  0.85
Other   |            | 0.06476    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138369.0 ave      138369 max      138369 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138369
Ave neighs/atom = 69.184500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.623834225561, Press = 0.306718351984467
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   36000    -7879.975    -7879.975   -7949.9364   -7949.9364     270.7578     270.7578     23446.98     23446.98   -4251.2891   -4251.2891 
   37000   -7881.4934   -7881.4934   -7952.0313   -7952.0313    272.98881    272.98881    23395.452    23395.452    -930.4996    -930.4996 
Loop time of 46.7435 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.848 ns/day, 12.984 hours/ns, 21.393 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.198     | 46.198     | 46.198     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12712    | 0.12712    | 0.12712    |   0.0 |  0.27
Output  | 0.0001966  | 0.0001966  | 0.0001966  |   0.0 |  0.00
Modify  | 0.35785    | 0.35785    | 0.35785    |   0.0 |  0.77
Other   |            | 0.06034    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5436.00 ave        5436 max        5436 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138052.0 ave      138052 max      138052 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138052
Ave neighs/atom = 69.026000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.586872718903, Press = -1.15976648810523
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   37000   -7881.4934   -7881.4934   -7952.0313   -7952.0313    272.98881    272.98881    23395.452    23395.452    -930.4996    -930.4996 
   38000   -7881.0365   -7881.0365   -7950.8974   -7950.8974      270.369      270.369    23366.768    23366.768    962.70129    962.70129 
Loop time of 46.3844 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.863 ns/day, 12.885 hours/ns, 21.559 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.839     | 45.839     | 45.839     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12712    | 0.12712    | 0.12712    |   0.0 |  0.27
Output  | 0.00015525 | 0.00015525 | 0.00015525 |   0.0 |  0.00
Modify  | 0.35718    | 0.35718    | 0.35718    |   0.0 |  0.77
Other   |            | 0.06123    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5438.00 ave        5438 max        5438 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138238.0 ave      138238 max      138238 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138238
Ave neighs/atom = 69.119000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.546966126133, Press = 0.798654657873417
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   38000   -7881.0365   -7881.0365   -7950.8974   -7950.8974      270.369      270.369    23366.768    23366.768    962.70129    962.70129 
   39000    -7882.933    -7882.933   -7952.8379   -7952.8379    270.53902    270.53902    23391.162    23391.162   -756.75109   -756.75109 
Loop time of 46.7275 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.849 ns/day, 12.980 hours/ns, 21.401 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.184     | 46.184     | 46.184     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12645    | 0.12645    | 0.12645    |   0.0 |  0.27
Output  | 0.00015625 | 0.00015625 | 0.00015625 |   0.0 |  0.00
Modify  | 0.35642    | 0.35642    | 0.35642    |   0.0 |  0.76
Other   |            | 0.06067    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138569.0 ave      138569 max      138569 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138569
Ave neighs/atom = 69.284500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.551000474344, Press = 1.26034094633103
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   39000    -7882.933    -7882.933   -7952.8379   -7952.8379    270.53902    270.53902    23391.162    23391.162   -756.75109   -756.75109 
   40000   -7878.7799   -7878.7799   -7950.1545   -7950.1545    276.22696    276.22696    23388.747    23388.747   -142.93142   -142.93142 
Loop time of 51.8652 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.666 ns/day, 14.407 hours/ns, 19.281 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.211     | 51.211     | 51.211     |   0.0 | 98.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14461    | 0.14461    | 0.14461    |   0.0 |  0.28
Output  | 0.00015322 | 0.00015322 | 0.00015322 |   0.0 |  0.00
Modify  | 0.44317    | 0.44317    | 0.44317    |   0.0 |  0.85
Other   |            | 0.06652    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5462.00 ave        5462 max        5462 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138227.0 ave      138227 max      138227 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138227
Ave neighs/atom = 69.113500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.630035341696, Press = 0.0394715385712401
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   40000   -7878.7799   -7878.7799   -7950.1545   -7950.1545    276.22696    276.22696    23388.747    23388.747   -142.93142   -142.93142 
   41000   -7883.5793   -7883.5793   -7952.9694   -7952.9694    268.54667    268.54667    23355.884    23355.884    1590.1942    1590.1942 
Loop time of 51.19 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.688 ns/day, 14.219 hours/ns, 19.535 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 50.551     | 50.551     | 50.551     |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14262    | 0.14262    | 0.14262    |   0.0 |  0.28
Output  | 0.00015354 | 0.00015354 | 0.00015354 |   0.0 |  0.00
Modify  | 0.43043    | 0.43043    | 0.43043    |   0.0 |  0.84
Other   |            | 0.06593    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5465.00 ave        5465 max        5465 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138347.0 ave      138347 max      138347 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138347
Ave neighs/atom = 69.173500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.601315157836, Press = 0.825991029097344
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   41000   -7883.5793   -7883.5793   -7952.9694   -7952.9694    268.54667    268.54667    23355.884    23355.884    1590.1942    1590.1942 
   42000   -7878.8712   -7878.8712    -7951.851    -7951.851    282.43967    282.43967    23367.346    23367.346    962.26673    962.26673 
Loop time of 46.5484 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.856 ns/day, 12.930 hours/ns, 21.483 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.002     | 46.002     | 46.002     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12668    | 0.12668    | 0.12668    |   0.0 |  0.27
Output  | 0.00015546 | 0.00015546 | 0.00015546 |   0.0 |  0.00
Modify  | 0.35917    | 0.35917    | 0.35917    |   0.0 |  0.77
Other   |            | 0.06076    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138322.0 ave      138322 max      138322 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138322
Ave neighs/atom = 69.161000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.599955026895, Press = 2.14823685999721
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   42000   -7878.8712   -7878.8712    -7951.851    -7951.851    282.43967    282.43967    23367.346    23367.346    962.26673    962.26673 
   43000   -7883.1715   -7883.1715   -7952.2468   -7952.2468    267.32868    267.32868    23390.231    23390.231   -654.64319   -654.64319 
Loop time of 47.1203 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.834 ns/day, 13.089 hours/ns, 21.222 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.563     | 46.563     | 46.563     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12937    | 0.12937    | 0.12937    |   0.0 |  0.27
Output  | 0.00019126 | 0.00019126 | 0.00019126 |   0.0 |  0.00
Modify  | 0.36599    | 0.36599    | 0.36599    |   0.0 |  0.78
Other   |            | 0.06134    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138431.0 ave      138431 max      138431 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138431
Ave neighs/atom = 69.215500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.610690037183, Press = 2.38541545096086
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   43000   -7883.1715   -7883.1715   -7952.2468   -7952.2468    267.32868    267.32868    23390.231    23390.231   -654.64319   -654.64319 
   44000   -7881.1818   -7881.1818    -7952.674    -7952.674    276.68196    276.68196    23430.393    23430.393   -3103.4309   -3103.4309 
Loop time of 51.9981 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.662 ns/day, 14.444 hours/ns, 19.231 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.333     | 51.333     | 51.333     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14775    | 0.14775    | 0.14775    |   0.0 |  0.28
Output  | 0.00015946 | 0.00015946 | 0.00015946 |   0.0 |  0.00
Modify  | 0.45121    | 0.45121    | 0.45121    |   0.0 |  0.87
Other   |            | 0.06603    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138280.0 ave      138280 max      138280 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138280
Ave neighs/atom = 69.140000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.630436380507, Press = 1.05740710290947
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   44000   -7881.1818   -7881.1818    -7952.674    -7952.674    276.68196    276.68196    23430.393    23430.393   -3103.4309   -3103.4309 
   45000   -7880.6537   -7880.6537   -7950.2499   -7950.2499    269.34425    269.34425    23395.429    23395.429   -735.81626   -735.81626 
Loop time of 51.8834 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.665 ns/day, 14.412 hours/ns, 19.274 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.216     | 51.216     | 51.216     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14742    | 0.14742    | 0.14742    |   0.0 |  0.28
Output  | 0.0001878  | 0.0001878  | 0.0001878  |   0.0 |  0.00
Modify  | 0.45307    | 0.45307    | 0.45307    |   0.0 |  0.87
Other   |            | 0.06669    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        137915.0 ave      137915 max      137915 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137915
Ave neighs/atom = 68.957500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.669179964951, Press = -0.0169200152533793
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   45000   -7880.6537   -7880.6537   -7950.2499   -7950.2499    269.34425    269.34425    23395.429    23395.429   -735.81626   -735.81626 
   46000   -7883.7794   -7883.7794   -7953.3965   -7953.3965    269.42535    269.42535    23370.193    23370.193    1013.2237    1013.2237 
Loop time of 51.8774 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.665 ns/day, 14.410 hours/ns, 19.276 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.214     | 51.214     | 51.214     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14624    | 0.14624    | 0.14624    |   0.0 |  0.28
Output  | 0.00015668 | 0.00015668 | 0.00015668 |   0.0 |  0.00
Modify  | 0.45057    | 0.45057    | 0.45057    |   0.0 |  0.87
Other   |            | 0.06667    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5465.00 ave        5465 max        5465 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138494.0 ave      138494 max      138494 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138494
Ave neighs/atom = 69.247000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.610558600085, Press = 0.763104455145173
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   46000   -7883.7794   -7883.7794   -7953.3965   -7953.3965    269.42535    269.42535    23370.193    23370.193    1013.2237    1013.2237 
   47000   -7879.2288   -7879.2288   -7951.7301   -7951.7301    280.58743    280.58743     23377.16     23377.16    520.52942    520.52942 
Loop time of 51.7169 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.671 ns/day, 14.366 hours/ns, 19.336 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    | 51.057     | 51.057     | 51.057     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14619    | 0.14619    | 0.14619    |   0.0 |  0.28
Output  | 0.00016903 | 0.00016903 | 0.00016903 |   0.0 |  0.00
Modify  | 0.44714    | 0.44714    | 0.44714    |   0.0 |  0.86
Other   |            | 0.06647    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5459.00 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138254.0 ave      138254 max      138254 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138254
Ave neighs/atom = 69.127000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.659164270403, Press = 0.928040739125141
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   47000   -7879.2288   -7879.2288   -7951.7301   -7951.7301    280.58743    280.58743     23377.16     23377.16    520.52942    520.52942 
   48000   -7880.8581   -7880.8581   -7951.6295   -7951.6295    273.89253    273.89253    23392.442    23392.442   -710.10351   -710.10351 
Loop time of 45.1207 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.915 ns/day, 12.534 hours/ns, 22.163 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.538     | 44.538     | 44.538     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12952    | 0.12952    | 0.12952    |   0.0 |  0.29
Output  | 0.00015805 | 0.00015805 | 0.00015805 |   0.0 |  0.00
Modify  | 0.38753    | 0.38753    | 0.38753    |   0.0 |  0.86
Other   |            | 0.06529    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138389.0 ave      138389 max      138389 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138389
Ave neighs/atom = 69.194500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.658569941773, Press = 1.44517031436177
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   48000   -7880.8581   -7880.8581   -7951.6295   -7951.6295    273.89253    273.89253    23392.442    23392.442   -710.10351   -710.10351 
   49000   -7881.4119   -7881.4119   -7952.3594   -7952.3594    274.57406    274.57406    23406.926    23406.926    -1628.592    -1628.592 
Loop time of 42.0269 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.056 ns/day, 11.674 hours/ns, 23.794 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.484     | 41.484     | 41.484     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12293    | 0.12293    | 0.12293    |   0.0 |  0.29
Output  | 0.00015736 | 0.00015736 | 0.00015736 |   0.0 |  0.00
Modify  | 0.35587    | 0.35587    | 0.35587    |   0.0 |  0.85
Other   |            | 0.06446    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5434.00 ave        5434 max        5434 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138213.0 ave      138213 max      138213 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138213
Ave neighs/atom = 69.106500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.684288872535, Press = 0.374384425668759
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   49000   -7881.4119   -7881.4119   -7952.3594   -7952.3594    274.57406    274.57406    23406.926    23406.926    -1628.592    -1628.592 
   50000   -7878.1938   -7878.1938   -7950.6657   -7950.6657    280.47398    280.47398    23392.385    23392.385   -623.59937   -623.59937 
Loop time of 51.6649 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.672 ns/day, 14.351 hours/ns, 19.356 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.015     | 51.015     | 51.015     |   0.0 | 98.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14372    | 0.14372    | 0.14372    |   0.0 |  0.28
Output  | 0.00019407 | 0.00019407 | 0.00019407 |   0.0 |  0.00
Modify  | 0.43989    | 0.43989    | 0.43989    |   0.0 |  0.85
Other   |            | 0.06611    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5437.00 ave        5437 max        5437 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138154.0 ave      138154 max      138154 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138154
Ave neighs/atom = 69.077000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.682888010554, Press = -0.0316932131229013
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   50000   -7878.1938   -7878.1938   -7950.6657   -7950.6657    280.47398    280.47398    23392.385    23392.385   -623.59937   -623.59937 
   51000   -7883.1619   -7883.1619   -7952.7785   -7952.7785    269.42334    269.42334     23364.55     23364.55    1266.0638    1266.0638 
Loop time of 51.9913 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.662 ns/day, 14.442 hours/ns, 19.234 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.334     | 51.334     | 51.334     |   0.0 | 98.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14456    | 0.14456    | 0.14456    |   0.0 |  0.28
Output  | 0.00023861 | 0.00023861 | 0.00023861 |   0.0 |  0.00
Modify  | 0.44587    | 0.44587    | 0.44587    |   0.0 |  0.86
Other   |            | 0.06634    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5468.00 ave        5468 max        5468 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138332.0 ave      138332 max      138332 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138332
Ave neighs/atom = 69.166000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.706787898937, Press = 0.791220860092893
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   51000   -7883.1619   -7883.1619   -7952.7785   -7952.7785    269.42334    269.42334     23364.55     23364.55    1266.0638    1266.0638 
   52000   -7882.3589   -7882.3589   -7952.6853   -7952.6853     272.1704     272.1704    23362.539    23362.539    1301.1101    1301.1101 
Loop time of 51.9076 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.664 ns/day, 14.419 hours/ns, 19.265 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.248     | 51.248     | 51.248     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14457    | 0.14457    | 0.14457    |   0.0 |  0.28
Output  | 0.00015628 | 0.00015628 | 0.00015628 |   0.0 |  0.00
Modify  | 0.4487     | 0.4487     | 0.4487     |   0.0 |  0.86
Other   |            | 0.06642    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5469.00 ave        5469 max        5469 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138281.0 ave      138281 max      138281 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138281
Ave neighs/atom = 69.140500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.698382673442, Press = 0.685792893972957
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   52000   -7882.3589   -7882.3589   -7952.6853   -7952.6853     272.1704     272.1704    23362.539    23362.539    1301.1101    1301.1101 
   53000   -7880.2335   -7880.2335   -7951.7901   -7951.7901    276.93139    276.93139    23379.824    23379.824    139.15424    139.15424 
Loop time of 47.2179 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.830 ns/day, 13.116 hours/ns, 21.178 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 46.653     | 46.653     | 46.653     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12908    | 0.12908    | 0.12908    |   0.0 |  0.27
Output  | 0.00015647 | 0.00015647 | 0.00015647 |   0.0 |  0.00
Modify  | 0.37426    | 0.37426    | 0.37426    |   0.0 |  0.79
Other   |            | 0.06095    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5463.00 ave        5463 max        5463 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138393.0 ave      138393 max      138393 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138393
Ave neighs/atom = 69.196500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.660808292304, Press = 1.22886502334937
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   53000   -7880.2335   -7880.2335   -7951.7901   -7951.7901    276.93139    276.93139    23379.824    23379.824    139.15424    139.15424 
   54000   -7882.0422   -7882.0422   -7952.4819   -7952.4819    272.60887    272.60887    23422.114    23422.114   -2823.6324   -2823.6324 
Loop time of 46.3202 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.865 ns/day, 12.867 hours/ns, 21.589 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.775     | 45.775     | 45.775     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12547    | 0.12547    | 0.12547    |   0.0 |  0.27
Output  | 0.00020314 | 0.00020314 | 0.00020314 |   0.0 |  0.00
Modify  | 0.35984    | 0.35984    | 0.35984    |   0.0 |  0.78
Other   |            | 0.06013    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138351.0 ave      138351 max      138351 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138351
Ave neighs/atom = 69.175500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.656074811927, Press = 0.849604809360478
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   54000   -7882.0422   -7882.0422   -7952.4819   -7952.4819    272.60887    272.60887    23422.114    23422.114   -2823.6324   -2823.6324 
   55000   -7877.3085   -7877.3085   -7948.8332   -7948.8332    276.80797    276.80797     23411.35     23411.35   -1709.7832   -1709.7832 
Loop time of 46.3391 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.865 ns/day, 12.872 hours/ns, 21.580 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.795     | 45.795     | 45.795     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12617    | 0.12617    | 0.12617    |   0.0 |  0.27
Output  | 0.00015834 | 0.00015834 | 0.00015834 |   0.0 |  0.00
Modify  | 0.35795    | 0.35795    | 0.35795    |   0.0 |  0.77
Other   |            | 0.06036    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138100.0 ave      138100 max      138100 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138100
Ave neighs/atom = 69.050000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.714875409465, Press = -0.65374006989259
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   55000   -7877.3085   -7877.3085   -7948.8332   -7948.8332    276.80797    276.80797     23411.35     23411.35   -1709.7832   -1709.7832 
   56000   -7881.6897   -7881.6897   -7953.2329   -7953.2329    276.87962    276.87962    23376.011    23376.011    464.80698    464.80698 
Loop time of 42.8054 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.018 ns/day, 11.890 hours/ns, 23.362 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    | 42.258     | 42.258     | 42.258     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12348    | 0.12348    | 0.12348    |   0.0 |  0.29
Output  | 0.00015669 | 0.00015669 | 0.00015669 |   0.0 |  0.00
Modify  | 0.35861    | 0.35861    | 0.35861    |   0.0 |  0.84
Other   |            | 0.06488    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138338.0 ave      138338 max      138338 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138338
Ave neighs/atom = 69.169000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.716363658761, Press = -0.48254334593825
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   56000   -7881.6897   -7881.6897   -7953.2329   -7953.2329    276.87962    276.87962    23376.011    23376.011    464.80698    464.80698 
   57000   -7876.7019   -7876.7019   -7949.5575   -7949.5575     281.9586     281.9586    23372.974    23372.974    1127.0299    1127.0299 
Loop time of 42.049 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.055 ns/day, 11.680 hours/ns, 23.782 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.504     | 41.504     | 41.504     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1231     | 0.1231     | 0.1231     |   0.0 |  0.29
Output  | 0.00015364 | 0.00015364 | 0.00015364 |   0.0 |  0.00
Modify  | 0.35708    | 0.35708    | 0.35708    |   0.0 |  0.85
Other   |            | 0.06451    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5465.00 ave        5465 max        5465 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138238.0 ave      138238 max      138238 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138238
Ave neighs/atom = 69.119000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.747856361959, Press = 0.729919335852337
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   57000   -7876.7019   -7876.7019   -7949.5575   -7949.5575     281.9586     281.9586    23372.974    23372.974    1127.0299    1127.0299 
   58000   -7881.9061   -7881.9061    -7952.772    -7952.772    274.25808    274.25808    23376.157    23376.157    186.43493    186.43493 
Loop time of 45.7608 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.888 ns/day, 12.711 hours/ns, 21.853 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    | 45.173     | 45.173     | 45.173     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13165    | 0.13165    | 0.13165    |   0.0 |  0.29
Output  | 0.00015875 | 0.00015875 | 0.00015875 |   0.0 |  0.00
Modify  | 0.39002    | 0.39002    | 0.39002    |   0.0 |  0.85
Other   |            | 0.06571    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138503.0 ave      138503 max      138503 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138503
Ave neighs/atom = 69.251500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.763417419405, Press = 0.87479935678511
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   58000   -7881.9061   -7881.9061    -7952.772    -7952.772    274.25808    274.25808    23376.157    23376.157    186.43493    186.43493 
   59000   -7878.6428   -7878.6428    -7951.274    -7951.274    281.09014    281.09014    23386.382    23386.382   -41.203775   -41.203775 
Loop time of 52.2958 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.652 ns/day, 14.527 hours/ns, 19.122 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    | 51.635     | 51.635     | 51.635     |   0.0 | 98.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.146      | 0.146      | 0.146      |   0.0 |  0.28
Output  | 0.00023323 | 0.00023323 | 0.00023323 |   0.0 |  0.00
Modify  | 0.44799    | 0.44799    | 0.44799    |   0.0 |  0.86
Other   |            | 0.06655    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138399.0 ave      138399 max      138399 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138399
Ave neighs/atom = 69.199500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.780533706642, Press = 1.14558969472022
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   59000   -7878.6428   -7878.6428    -7951.274    -7951.274    281.09014    281.09014    23386.382    23386.382   -41.203775   -41.203775 
   60000   -7882.7621   -7882.7621   -7951.9749   -7951.9749     267.8608     267.8608    23430.783    23430.783    -3543.221    -3543.221 
Loop time of 52.3919 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.649 ns/day, 14.553 hours/ns, 19.087 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.728     | 51.728     | 51.728     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14686    | 0.14686    | 0.14686    |   0.0 |  0.28
Output  | 0.00015688 | 0.00015688 | 0.00015688 |   0.0 |  0.00
Modify  | 0.44954    | 0.44954    | 0.44954    |   0.0 |  0.86
Other   |            | 0.06724    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138364.0 ave      138364 max      138364 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138364
Ave neighs/atom = 69.182000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.774240619722, Press = 0.842272440267919
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   60000   -7882.7621   -7882.7621   -7951.9749   -7951.9749     267.8608     267.8608    23430.783    23430.783    -3543.221    -3543.221 
   61000   -7879.1364   -7879.1364   -7951.1279   -7951.1279    278.61454    278.61454    23409.671    23409.671   -1736.8503   -1736.8503 
Loop time of 45.5221 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.898 ns/day, 12.645 hours/ns, 21.967 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 44.97      | 44.97      | 44.97      |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12619    | 0.12619    | 0.12619    |   0.0 |  0.28
Output  | 0.00015349 | 0.00015349 | 0.00015349 |   0.0 |  0.00
Modify  | 0.36081    | 0.36081    | 0.36081    |   0.0 |  0.79
Other   |            | 0.06486    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5463.00 ave        5463 max        5463 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138017.0 ave      138017 max      138017 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138017
Ave neighs/atom = 69.008500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.778484111112, Press = -1.23331043574011
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   61000   -7879.1364   -7879.1364   -7951.1279   -7951.1279    278.61454    278.61454    23409.671    23409.671   -1736.8503   -1736.8503 
   62000   -7882.6435   -7882.6435   -7950.6273   -7950.6273    263.10423    263.10423    23364.707    23364.707    1221.8827    1221.8827 
Loop time of 44.097 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.959 ns/day, 12.249 hours/ns, 22.677 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.548     | 43.548     | 43.548     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12528    | 0.12528    | 0.12528    |   0.0 |  0.28
Output  | 0.00016714 | 0.00016714 | 0.00016714 |   0.0 |  0.00
Modify  | 0.35907    | 0.35907    | 0.35907    |   0.0 |  0.81
Other   |            | 0.06444    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5432.00 ave        5432 max        5432 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138110.0 ave      138110 max      138110 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138110
Ave neighs/atom = 69.055000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.784714050248, Press = 0.246209944835772
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   62000   -7882.6435   -7882.6435   -7950.6273   -7950.6273    263.10423    263.10423    23364.707    23364.707    1221.8827    1221.8827 
   63000   -7879.2866   -7879.2866   -7951.2515   -7951.2515    278.51167    278.51167     23361.07     23361.07    1682.4407    1682.4407 
Loop time of 44.2767 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.951 ns/day, 12.299 hours/ns, 22.585 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.73      | 43.73      | 43.73      |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12445    | 0.12445    | 0.12445    |   0.0 |  0.28
Output  | 0.00020804 | 0.00020804 | 0.00020804 |   0.0 |  0.00
Modify  | 0.35837    | 0.35837    | 0.35837    |   0.0 |  0.81
Other   |            | 0.06412    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138538.0 ave      138538 max      138538 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138538
Ave neighs/atom = 69.269000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.774973624525, Press = 1.44622956696608
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   63000   -7879.2866   -7879.2866   -7951.2515   -7951.2515    278.51167    278.51167     23361.07     23361.07    1682.4407    1682.4407 
   64000   -7882.5183   -7882.5183   -7952.0013   -7952.0013    268.90604    268.90604    23403.089    23403.089    -1413.169    -1413.169 
Loop time of 44.2772 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.951 ns/day, 12.299 hours/ns, 22.585 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 43.73      | 43.73      | 43.73      |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1253     | 0.1253     | 0.1253     |   0.0 |  0.28
Output  | 0.00015674 | 0.00015674 | 0.00015674 |   0.0 |  0.00
Modify  | 0.35761    | 0.35761    | 0.35761    |   0.0 |  0.81
Other   |            | 0.06448    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138523.0 ave      138523 max      138523 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138523
Ave neighs/atom = 69.261500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.782173371364, Press = 1.52129771918267
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   64000   -7882.5183   -7882.5183   -7952.0013   -7952.0013    268.90604    268.90604    23403.089    23403.089    -1413.169    -1413.169 
   65000   -7880.2185   -7880.2185   -7951.8159   -7951.8159    277.08957    277.08957    23413.749    23413.749   -2334.4437   -2334.4437 
Loop time of 41.44 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.085 ns/day, 11.511 hours/ns, 24.131 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    | 40.901     | 40.901     | 40.901     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1204     | 0.1204     | 0.1204     |   0.0 |  0.29
Output  | 0.00015741 | 0.00015741 | 0.00015741 |   0.0 |  0.00
Modify  | 0.35277    | 0.35277    | 0.35277    |   0.0 |  0.85
Other   |            | 0.06536    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5459.00 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138245.0 ave      138245 max      138245 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138245
Ave neighs/atom = 69.122500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.809996474575, Press = 0.435067058115425
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   65000   -7880.2185   -7880.2185   -7951.8159   -7951.8159    277.08957    277.08957    23413.749    23413.749   -2334.4437   -2334.4437 
   66000   -7882.1525   -7882.1525   -7951.9496   -7951.9496    270.12191    270.12191    23395.008    23395.008   -797.34857   -797.34857 
Loop time of 41.3702 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.088 ns/day, 11.492 hours/ns, 24.172 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.831     | 40.831     | 40.831     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12052    | 0.12052    | 0.12052    |   0.0 |  0.29
Output  | 0.00015382 | 0.00015382 | 0.00015382 |   0.0 |  0.00
Modify  | 0.35315    | 0.35315    | 0.35315    |   0.0 |  0.85
Other   |            | 0.06558    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138286.0 ave      138286 max      138286 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138286
Ave neighs/atom = 69.143000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.788377821784, Press = 0.33699264870233
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   66000   -7882.1525   -7882.1525   -7951.9496   -7951.9496    270.12191    270.12191    23395.008    23395.008   -797.34857   -797.34857 
   67000    -7878.325    -7878.325   -7950.8318   -7950.8318    280.60882    280.60882    23386.438    23386.438   -169.80583   -169.80583 
Loop time of 41.3684 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.089 ns/day, 11.491 hours/ns, 24.173 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.829     | 40.829     | 40.829     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12077    | 0.12077    | 0.12077    |   0.0 |  0.29
Output  | 0.00019671 | 0.00019671 | 0.00019671 |   0.0 |  0.00
Modify  | 0.35328    | 0.35328    | 0.35328    |   0.0 |  0.85
Other   |            | 0.06545    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138234.0 ave      138234 max      138234 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138234
Ave neighs/atom = 69.117000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.782308514398, Press = 0.250176412085678
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   67000    -7878.325    -7878.325   -7950.8318   -7950.8318    280.60882    280.60882    23386.438    23386.438   -169.80583   -169.80583 
   68000   -7880.9664   -7880.9664   -7951.9768   -7951.9768    274.81765    274.81765    23359.977    23359.977    1686.8292    1686.8292 
Loop time of 41.3907 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.087 ns/day, 11.497 hours/ns, 24.160 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.851     | 40.851     | 40.851     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12091    | 0.12091    | 0.12091    |   0.0 |  0.29
Output  | 0.00015552 | 0.00015552 | 0.00015552 |   0.0 |  0.00
Modify  | 0.35268    | 0.35268    | 0.35268    |   0.0 |  0.85
Other   |            | 0.06558    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5442.00 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138450.0 ave      138450 max      138450 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138450
Ave neighs/atom = 69.225000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.772712881816, Press = 0.457654748934848
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   68000   -7880.9664   -7880.9664   -7951.9768   -7951.9768    274.81765    274.81765    23359.977    23359.977    1686.8292    1686.8292 
   69000   -7885.8806   -7885.8806   -7954.0094   -7954.0094    263.66554    263.66554    23322.384    23322.384    3984.6331    3984.6331 
Loop time of 41.312 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.091 ns/day, 11.476 hours/ns, 24.206 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.773     | 40.773     | 40.773     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11958    | 0.11958    | 0.11958    |   0.0 |  0.29
Output  | 0.0001541  | 0.0001541  | 0.0001541  |   0.0 |  0.00
Modify  | 0.35268    | 0.35268    | 0.35268    |   0.0 |  0.85
Other   |            | 0.06627    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5438.00 ave        5438 max        5438 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138383.0 ave      138383 max      138383 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138383
Ave neighs/atom = 69.191500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.748346750787, Press = 2.29551321097608
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   69000   -7885.8806   -7885.8806   -7954.0094   -7954.0094    263.66554    263.66554    23322.384    23322.384    3984.6331    3984.6331 
   70000   -7880.0822   -7880.0822   -7950.3683   -7950.3683     272.0142     272.0142    23403.323    23403.323   -1409.8335   -1409.8335 
Loop time of 41.3408 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.090 ns/day, 11.484 hours/ns, 24.189 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.801     | 40.801     | 40.801     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12079    | 0.12079    | 0.12079    |   0.0 |  0.29
Output  | 0.00015552 | 0.00015552 | 0.00015552 |   0.0 |  0.00
Modify  | 0.35279    | 0.35279    | 0.35279    |   0.0 |  0.85
Other   |            | 0.06585    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138493.0 ave      138493 max      138493 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138493
Ave neighs/atom = 69.246500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.710553779548, Press = 1.49343587123215
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   70000   -7880.0822   -7880.0822   -7950.3683   -7950.3683     272.0142     272.0142    23403.323    23403.323   -1409.8335   -1409.8335 
   71000   -7879.6623   -7879.6623   -7951.4654   -7951.4654    277.88522    277.88522    23409.039    23409.039   -1573.7899   -1573.7899 
Loop time of 41.3951 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.087 ns/day, 11.499 hours/ns, 24.157 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.856     | 40.856     | 40.856     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12075    | 0.12075    | 0.12075    |   0.0 |  0.29
Output  | 0.00015637 | 0.00015637 | 0.00015637 |   0.0 |  0.00
Modify  | 0.35286    | 0.35286    | 0.35286    |   0.0 |  0.85
Other   |            | 0.06546    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138389.0 ave      138389 max      138389 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138389
Ave neighs/atom = 69.194500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.697979717318, Press = 0.436807519840536
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   71000   -7879.6623   -7879.6623   -7951.4654   -7951.4654    277.88522    277.88522    23409.039    23409.039   -1573.7899   -1573.7899 
   72000   -7882.1377   -7882.1377   -7951.4927   -7951.4927    268.41092    268.41092    23384.574    23384.574   -246.40867   -246.40867 
Loop time of 41.364 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.089 ns/day, 11.490 hours/ns, 24.176 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.824     | 40.824     | 40.824     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12084    | 0.12084    | 0.12084    |   0.0 |  0.29
Output  | 0.00015354 | 0.00015354 | 0.00015354 |   0.0 |  0.00
Modify  | 0.35309    | 0.35309    | 0.35309    |   0.0 |  0.85
Other   |            | 0.06569    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138197.0 ave      138197 max      138197 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138197
Ave neighs/atom = 69.098500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.723734976973, Press = 0.0852730733446757
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   72000   -7882.1377   -7882.1377   -7951.4927   -7951.4927    268.41092    268.41092    23384.574    23384.574   -246.40867   -246.40867 
   73000   -7877.8305   -7877.8305   -7950.1952   -7950.1952    280.05873    280.05873    23360.543    23360.543    1823.9147    1823.9147 
Loop time of 41.5004 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.082 ns/day, 11.528 hours/ns, 24.096 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.96      | 40.96      | 40.96      |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12191    | 0.12191    | 0.12191    |   0.0 |  0.29
Output  | 0.00015404 | 0.00015404 | 0.00015404 |   0.0 |  0.00
Modify  | 0.35303    | 0.35303    | 0.35303    |   0.0 |  0.85
Other   |            | 0.06569    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5466.00 ave        5466 max        5466 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138355.0 ave      138355 max      138355 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138355
Ave neighs/atom = 69.177500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.743012002201, Press = 0.316166994336451
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   73000   -7877.8305   -7877.8305   -7950.1952   -7950.1952    280.05873    280.05873    23360.543    23360.543    1823.9147    1823.9147 
   74000   -7880.3133   -7880.3133   -7951.8784   -7951.8784     276.9641     276.9641    23328.309    23328.309     3603.139     3603.139 
Loop time of 42.0333 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.056 ns/day, 11.676 hours/ns, 23.791 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.487     | 41.487     | 41.487     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12219    | 0.12219    | 0.12219    |   0.0 |  0.29
Output  | 0.00015394 | 0.00015394 | 0.00015394 |   0.0 |  0.00
Modify  | 0.35864    | 0.35864    | 0.35864    |   0.0 |  0.85
Other   |            | 0.06498    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5463.00 ave        5463 max        5463 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138476.0 ave      138476 max      138476 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138476
Ave neighs/atom = 69.238000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.734845788, Press = 1.46444036782669
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   74000   -7880.3133   -7880.3133   -7951.8784   -7951.8784     276.9641     276.9641    23328.309    23328.309     3603.139     3603.139 
   75000   -7885.0781   -7885.0781   -7953.1072   -7953.1072    263.27964    263.27964    23367.597    23367.597    946.72744    946.72744 
Loop time of 42.341 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.041 ns/day, 11.761 hours/ns, 23.618 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.794     | 41.794     | 41.794     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12278    | 0.12278    | 0.12278    |   0.0 |  0.29
Output  | 0.00015488 | 0.00015488 | 0.00015488 |   0.0 |  0.00
Modify  | 0.35851    | 0.35851    | 0.35851    |   0.0 |  0.85
Other   |            | 0.06516    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138676.0 ave      138676 max      138676 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138676
Ave neighs/atom = 69.338000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.70729088498, Press = 1.83369824918361
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   75000   -7885.0781   -7885.0781   -7953.1072   -7953.1072    263.27964    263.27964    23367.597    23367.597    946.72744    946.72744 
   76000   -7879.5793   -7879.5793   -7950.0675   -7950.0675    272.79659    272.79659      23417.3      23417.3   -1776.3074   -1776.3074 
Loop time of 42.113 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.052 ns/day, 11.698 hours/ns, 23.746 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.566     | 41.566     | 41.566     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12281    | 0.12281    | 0.12281    |   0.0 |  0.29
Output  | 0.00015503 | 0.00015503 | 0.00015503 |   0.0 |  0.00
Modify  | 0.3578     | 0.3578     | 0.3578     |   0.0 |  0.85
Other   |            | 0.06614    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138414.0 ave      138414 max      138414 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138414
Ave neighs/atom = 69.207000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.690902450761, Press = 1.33282997014712
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   76000   -7879.5793   -7879.5793   -7950.0675   -7950.0675    272.79659    272.79659      23417.3      23417.3   -1776.3074   -1776.3074 
   77000   -7882.9316   -7882.9316   -7952.2142   -7952.2142    268.13118    268.13118    23409.138    23409.138   -1841.1247   -1841.1247 
Loop time of 41.6615 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.074 ns/day, 11.573 hours/ns, 24.003 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 41.119     | 41.119     | 41.119     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12197    | 0.12197    | 0.12197    |   0.0 |  0.29
Output  | 0.00015564 | 0.00015564 | 0.00015564 |   0.0 |  0.00
Modify  | 0.35537    | 0.35537    | 0.35537    |   0.0 |  0.85
Other   |            | 0.06531    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5435.00 ave        5435 max        5435 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138090.0 ave      138090 max      138090 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138090
Ave neighs/atom = 69.045000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.693021080384, Press = 0.527943726529682
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   77000   -7882.9316   -7882.9316   -7952.2142   -7952.2142    268.13118    268.13118    23409.138    23409.138   -1841.1247   -1841.1247 
   78000   -7883.9352   -7883.9352   -7951.4916   -7951.4916    261.44998    261.44998    23392.263    23392.263   -571.82539   -571.82539 
Loop time of 41.3708 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.088 ns/day, 11.492 hours/ns, 24.172 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.83      | 40.83      | 40.83      |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12124    | 0.12124    | 0.12124    |   0.0 |  0.29
Output  | 0.00015513 | 0.00015513 | 0.00015513 |   0.0 |  0.00
Modify  | 0.3531     | 0.3531     | 0.3531     |   0.0 |  0.85
Other   |            | 0.06606    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138195.0 ave      138195 max      138195 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138195
Ave neighs/atom = 69.097500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.698426170474, Press = 0.327868088496812
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   78000   -7883.9352   -7883.9352   -7951.4916   -7951.4916    261.44998    261.44998    23392.263    23392.263   -571.82539   -571.82539 
   79000    -7880.901    -7880.901   -7950.4366   -7950.4366    269.11025    269.11025      23397.4      23397.4    -939.6742    -939.6742 
Loop time of 41.37 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.088 ns/day, 11.492 hours/ns, 24.172 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.83      | 40.83      | 40.83      |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12076    | 0.12076    | 0.12076    |   0.0 |  0.29
Output  | 0.00015623 | 0.00015623 | 0.00015623 |   0.0 |  0.00
Modify  | 0.35303    | 0.35303    | 0.35303    |   0.0 |  0.85
Other   |            | 0.0659     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5463.00 ave        5463 max        5463 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138244.0 ave      138244 max      138244 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138244
Ave neighs/atom = 69.122000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.660801976594, Press = 0.0810738858092958
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   79000    -7880.901    -7880.901   -7950.4366   -7950.4366    269.11025    269.11025      23397.4      23397.4    -939.6742    -939.6742 
   80000   -7883.4006   -7883.4006   -7951.6194   -7951.6194    264.01405    264.01405    23350.139    23350.139    2341.0745    2341.0745 
Loop time of 41.42 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.086 ns/day, 11.506 hours/ns, 24.143 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.879     | 40.879     | 40.879     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12133    | 0.12133    | 0.12133    |   0.0 |  0.29
Output  | 0.00015486 | 0.00015486 | 0.00015486 |   0.0 |  0.00
Modify  | 0.35274    | 0.35274    | 0.35274    |   0.0 |  0.85
Other   |            | 0.06627    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5468.00 ave        5468 max        5468 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138355.0 ave      138355 max      138355 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138355
Ave neighs/atom = 69.177500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.63878701054, Press = -0.334901252207179
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   80000   -7883.4006   -7883.4006   -7951.6194   -7951.6194    264.01405    264.01405    23350.139    23350.139    2341.0745    2341.0745 
   81000   -7879.8211   -7879.8211   -7951.9935   -7951.9935     279.3145     279.3145    23346.937    23346.937    2642.1542    2642.1542 
Loop time of 41.469 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.083 ns/day, 11.519 hours/ns, 24.114 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    | 40.929     | 40.929     | 40.929     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12082    | 0.12082    | 0.12082    |   0.0 |  0.29
Output  | 0.00015487 | 0.00015487 | 0.00015487 |   0.0 |  0.00
Modify  | 0.3536     | 0.3536     | 0.3536     |   0.0 |  0.85
Other   |            | 0.06575    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138422.0 ave      138422 max      138422 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138422
Ave neighs/atom = 69.211000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.613311481867, Press = 0.854732126167072
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   81000   -7879.8211   -7879.8211   -7951.9935   -7951.9935     279.3145     279.3145    23346.937    23346.937    2642.1542    2642.1542 
   82000   -7881.5811   -7881.5811   -7952.2686   -7952.2686    273.56772    273.56772    23384.572    23384.572   -126.99165   -126.99165 
Loop time of 41.3871 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.088 ns/day, 11.496 hours/ns, 24.162 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    | 40.847     | 40.847     | 40.847     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12       | 0.12       | 0.12       |   0.0 |  0.29
Output  | 0.00045499 | 0.00045499 | 0.00045499 |   0.0 |  0.00
Modify  | 0.35334    | 0.35334    | 0.35334    |   0.0 |  0.85
Other   |            | 0.06605    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138540.0 ave      138540 max      138540 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138540
Ave neighs/atom = 69.270000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.609960464713, Press = 1.23624655969367
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   82000   -7881.5811   -7881.5811   -7952.2686   -7952.2686    273.56772    273.56772    23384.572    23384.572   -126.99165   -126.99165 
   83000   -7878.6355   -7878.6355   -7950.1952   -7950.1952    276.94338    276.94338    23398.932    23398.932   -855.63171   -855.63171 
Loop time of 41.3355 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.090 ns/day, 11.482 hours/ns, 24.192 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    | 40.795     | 40.795     | 40.795     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12117    | 0.12117    | 0.12117    |   0.0 |  0.29
Output  | 0.00015408 | 0.00015408 | 0.00015408 |   0.0 |  0.00
Modify  | 0.35355    | 0.35355    | 0.35355    |   0.0 |  0.86
Other   |            | 0.06525    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138331.0 ave      138331 max      138331 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138331
Ave neighs/atom = 69.165500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.641290728314, Press = 0.945529578414751
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   83000   -7878.6355   -7878.6355   -7950.1952   -7950.1952    276.94338    276.94338    23398.932    23398.932   -855.63171   -855.63171 
   84000   -7881.6562   -7881.6562   -7952.4686   -7952.4686    274.05128    274.05128    23404.834    23404.834   -1650.9832   -1650.9832 
Loop time of 52.0183 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.661 ns/day, 14.450 hours/ns, 19.224 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    | 51.359     | 51.359     | 51.359     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14654    | 0.14654    | 0.14654    |   0.0 |  0.28
Output  | 0.00015678 | 0.00015678 | 0.00015678 |   0.0 |  0.00
Modify  | 0.44601    | 0.44601    | 0.44601    |   0.0 |  0.86
Other   |            | 0.06618    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138281.0 ave      138281 max      138281 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138281
Ave neighs/atom = 69.140500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.648958859367, Press = 0.330225078343182
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   84000   -7881.6562   -7881.6562   -7952.4686   -7952.4686    274.05128    274.05128    23404.834    23404.834   -1650.9832   -1650.9832 
   85000   -7884.3771   -7884.3771   -7953.1638   -7953.1638    266.21179    266.21179     23381.23     23381.23   -5.8655314   -5.8655314 
Loop time of 52.5679 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.644 ns/day, 14.602 hours/ns, 19.023 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.897     | 51.897     | 51.897     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14709    | 0.14709    | 0.14709    |   0.0 |  0.28
Output  | 0.0001574  | 0.0001574  | 0.0001574  |   0.0 |  0.00
Modify  | 0.45608    | 0.45608    | 0.45608    |   0.0 |  0.87
Other   |            | 0.06797    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5463.00 ave        5463 max        5463 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138245.0 ave      138245 max      138245 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138245
Ave neighs/atom = 69.122500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.649578719635, Press = 0.405727687486914
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   85000   -7884.3771   -7884.3771   -7953.1638   -7953.1638    266.21179    266.21179     23381.23     23381.23   -5.8655314   -5.8655314 
   86000    -7880.459    -7880.459   -7952.8331   -7952.8331    280.09534    280.09534    23384.958    23384.958   -71.680145   -71.680145 
Loop time of 52.311 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.652 ns/day, 14.531 hours/ns, 19.116 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.644     | 51.644     | 51.644     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14736    | 0.14736    | 0.14736    |   0.0 |  0.28
Output  | 0.00015612 | 0.00015612 | 0.00015612 |   0.0 |  0.00
Modify  | 0.45205    | 0.45205    | 0.45205    |   0.0 |  0.86
Other   |            | 0.06708    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138308.0 ave      138308 max      138308 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138308
Ave neighs/atom = 69.154000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.624219823743, Press = 0.341172449510544
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   86000    -7880.459    -7880.459   -7952.8331   -7952.8331    280.09534    280.09534    23384.958    23384.958   -71.680145   -71.680145 
   87000   -7883.2329   -7883.2329   -7952.0903   -7952.0903     266.4851     266.4851    23364.327    23364.327    1093.4986    1093.4986 
Loop time of 52.4479 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.647 ns/day, 14.569 hours/ns, 19.067 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.78      | 51.78      | 51.78      |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14677    | 0.14677    | 0.14677    |   0.0 |  0.28
Output  | 0.00019023 | 0.00019023 | 0.00019023 |   0.0 |  0.00
Modify  | 0.45399    | 0.45399    | 0.45399    |   0.0 |  0.87
Other   |            | 0.06669    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5465.00 ave        5465 max        5465 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138268.0 ave      138268 max      138268 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138268
Ave neighs/atom = 69.134000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.588725908097, Press = 0.157570544340772
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   87000   -7883.2329   -7883.2329   -7952.0903   -7952.0903     266.4851     266.4851    23364.327    23364.327    1093.4986    1093.4986 
   88000   -7883.2865   -7883.2865   -7952.4728   -7952.4728     267.7579     267.7579    23351.778    23351.778    2022.7503    2022.7503 
Loop time of 52.5774 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.643 ns/day, 14.605 hours/ns, 19.020 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 51.91      | 51.91      | 51.91      |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.14759    | 0.14759    | 0.14759    |   0.0 |  0.28
Output  | 0.00024041 | 0.00024041 | 0.00024041 |   0.0 |  0.00
Modify  | 0.45298    | 0.45298    | 0.45298    |   0.0 |  0.86
Other   |            | 0.06696    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5441.00 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138492.0 ave      138492 max      138492 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138492
Ave neighs/atom = 69.246000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.578148377755, Press = 0.919881255444793
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   88000   -7883.2865   -7883.2865   -7952.4728   -7952.4728     267.7579     267.7579    23351.778    23351.778    2022.7503    2022.7503 
   89000   -7881.1346   -7881.1346   -7953.2017   -7953.2017    278.90688    278.90688    23393.173    23393.173   -891.15203   -891.15203 
Loop time of 45.6637 on 1 procs for 1000 steps with 2000 atoms

Performance: 1.892 ns/day, 12.684 hours/ns, 21.899 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 45.075     | 45.075     | 45.075     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.13113    | 0.13113    | 0.13113    |   0.0 |  0.29
Output  | 0.00015535 | 0.00015535 | 0.00015535 |   0.0 |  0.00
Modify  | 0.3917     | 0.3917     | 0.3917     |   0.0 |  0.86
Other   |            | 0.0653     |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138561.0 ave      138561 max      138561 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138561
Ave neighs/atom = 69.280500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.575073487228, Press = 1.00444091115717
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   89000   -7881.1346   -7881.1346   -7953.2017   -7953.2017    278.90688    278.90688    23393.173    23393.173   -891.15203   -891.15203 
   90000   -7880.1094   -7880.1094   -7952.0535   -7952.0535    278.43116    278.43116    23412.972    23412.972   -2087.7639   -2087.7639 
Loop time of 41.2662 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.094 ns/day, 11.463 hours/ns, 24.233 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    | 40.727     | 40.727     | 40.727     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11988    | 0.11988    | 0.11988    |   0.0 |  0.29
Output  | 0.00015529 | 0.00015529 | 0.00015529 |   0.0 |  0.00
Modify  | 0.35285    | 0.35285    | 0.35285    |   0.0 |  0.86
Other   |            | 0.0659     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138239.0 ave      138239 max      138239 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138239
Ave neighs/atom = 69.119500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.561765635062, Press = 0.185268902877935
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   90000   -7880.1094   -7880.1094   -7952.0535   -7952.0535    278.43116    278.43116    23412.972    23412.972   -2087.7639   -2087.7639 
   91000   -7881.6947   -7881.6947   -7950.8293   -7950.8293    267.55783    267.55783    23386.342    23386.342   -236.02268   -236.02268 
Loop time of 41.4144 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.086 ns/day, 11.504 hours/ns, 24.146 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    | 40.874     | 40.874     | 40.874     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12054    | 0.12054    | 0.12054    |   0.0 |  0.29
Output  | 0.00015394 | 0.00015394 | 0.00015394 |   0.0 |  0.00
Modify  | 0.353      | 0.353      | 0.353      |   0.0 |  0.85
Other   |            | 0.06656    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5467.00 ave        5467 max        5467 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138179.0 ave      138179 max      138179 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138179
Ave neighs/atom = 69.089500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.537278328355, Press = -0.791393913681343
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   91000   -7881.6947   -7881.6947   -7950.8293   -7950.8293    267.55783    267.55783    23386.342    23386.342   -236.02268   -236.02268 
   92000   -7882.5423   -7882.5423   -7953.3484   -7953.3484    274.02659    274.02659    23348.014    23348.014     2340.969     2340.969 
Loop time of 41.4105 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.086 ns/day, 11.503 hours/ns, 24.148 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.87      | 40.87      | 40.87      |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12038    | 0.12038    | 0.12038    |   0.0 |  0.29
Output  | 0.00015231 | 0.00015231 | 0.00015231 |   0.0 |  0.00
Modify  | 0.35375    | 0.35375    | 0.35375    |   0.0 |  0.85
Other   |            | 0.06655    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138427.0 ave      138427 max      138427 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138427
Ave neighs/atom = 69.213500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.534417818818, Press = 0.310575911320787
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   92000   -7882.5423   -7882.5423   -7953.3484   -7953.3484    274.02659    274.02659    23348.014    23348.014     2340.969     2340.969 
   93000   -7878.9377   -7878.9377   -7949.8171   -7949.8171    274.31079    274.31079    23371.638    23371.638    1298.1453    1298.1453 
Loop time of 41.4312 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.085 ns/day, 11.509 hours/ns, 24.136 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.889     | 40.889     | 40.889     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12156    | 0.12156    | 0.12156    |   0.0 |  0.29
Output  | 0.00015408 | 0.00015408 | 0.00015408 |   0.0 |  0.00
Modify  | 0.35321    | 0.35321    | 0.35321    |   0.0 |  0.85
Other   |            | 0.06677    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138492.0 ave      138492 max      138492 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138492
Ave neighs/atom = 69.246000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.546825554333, Press = 1.01157062616158
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   93000   -7878.9377   -7878.9377   -7949.8171   -7949.8171    274.31079    274.31079    23371.638    23371.638    1298.1453    1298.1453 
   94000   -7881.6535   -7881.6535   -7952.2553   -7952.2553    273.23624    273.23624    23396.299    23396.299   -781.79214   -781.79214 
Loop time of 41.3008 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.092 ns/day, 11.472 hours/ns, 24.213 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.762     | 40.762     | 40.762     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11967    | 0.11967    | 0.11967    |   0.0 |  0.29
Output  | 0.00019623 | 0.00019623 | 0.00019623 |   0.0 |  0.00
Modify  | 0.35293    | 0.35293    | 0.35293    |   0.0 |  0.85
Other   |            | 0.06575    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5469.00 ave        5469 max        5469 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138329.0 ave      138329 max      138329 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138329
Ave neighs/atom = 69.164500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.519123051651, Press = 1.02210943583544
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   94000   -7881.6535   -7881.6535   -7952.2553   -7952.2553    273.23624    273.23624    23396.299    23396.299   -781.79214   -781.79214 
   95000   -7883.0071   -7883.0071   -7952.8763   -7952.8763    270.40087    270.40087    23401.843    23401.843   -1413.1942   -1413.1942 
Loop time of 41.3871 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.088 ns/day, 11.496 hours/ns, 24.162 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.847     | 40.847     | 40.847     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12116    | 0.12116    | 0.12116    |   0.0 |  0.29
Output  | 0.00015384 | 0.00015384 | 0.00015384 |   0.0 |  0.00
Modify  | 0.35317    | 0.35317    | 0.35317    |   0.0 |  0.85
Other   |            | 0.06602    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5442.00 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138256.0 ave      138256 max      138256 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138256
Ave neighs/atom = 69.128000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.508488812757, Press = 0.450760699609261
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   95000   -7883.0071   -7883.0071   -7952.8763   -7952.8763    270.40087    270.40087    23401.843    23401.843   -1413.1942   -1413.1942 
   96000   -7879.3004   -7879.3004   -7948.6297   -7948.6297    268.31163    268.31163    23407.723    23407.723   -1762.7266   -1762.7266 
Loop time of 41.305 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.092 ns/day, 11.474 hours/ns, 24.210 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.765     | 40.765     | 40.765     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12084    | 0.12084    | 0.12084    |   0.0 |  0.29
Output  | 0.00015274 | 0.00015274 | 0.00015274 |   0.0 |  0.00
Modify  | 0.35335    | 0.35335    | 0.35335    |   0.0 |  0.86
Other   |            | 0.06558    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5442.00 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138169.0 ave      138169 max      138169 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138169
Ave neighs/atom = 69.084500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.488051237878, Press = -0.329613917381085
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   96000   -7879.3004   -7879.3004   -7948.6297   -7948.6297    268.31163    268.31163    23407.723    23407.723   -1762.7266   -1762.7266 
   97000   -7882.0916   -7882.0916   -7954.0643   -7954.0643     278.5421     278.5421    23351.693    23351.693    2381.4096    2381.4096 
Loop time of 41.286 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.093 ns/day, 11.468 hours/ns, 24.221 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.747     | 40.747     | 40.747     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12017    | 0.12017    | 0.12017    |   0.0 |  0.29
Output  | 0.00015228 | 0.00015228 | 0.00015228 |   0.0 |  0.00
Modify  | 0.35228    | 0.35228    | 0.35228    |   0.0 |  0.85
Other   |            | 0.06618    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138328.0 ave      138328 max      138328 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138328
Ave neighs/atom = 69.164000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.478965526358, Press = -0.487710267020846
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   97000   -7882.0916   -7882.0916   -7954.0643   -7954.0643     278.5421     278.5421    23351.693    23351.693    2381.4096    2381.4096 
   98000   -7879.4858   -7879.4858    -7948.857    -7948.857    268.47353    268.47353    23345.878    23345.878    2875.1836    2875.1836 
Loop time of 41.3224 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.091 ns/day, 11.478 hours/ns, 24.200 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.782     | 40.782     | 40.782     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12084    | 0.12084    | 0.12084    |   0.0 |  0.29
Output  | 0.00015405 | 0.00015405 | 0.00015405 |   0.0 |  0.00
Modify  | 0.35314    | 0.35314    | 0.35314    |   0.0 |  0.85
Other   |            | 0.06625    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5464.00 ave        5464 max        5464 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138428.0 ave      138428 max      138428 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138428
Ave neighs/atom = 69.214000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.48128943977, Press = 0.450903047081555
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   98000   -7879.4858   -7879.4858    -7948.857    -7948.857    268.47353    268.47353    23345.878    23345.878    2875.1836    2875.1836 
   99000   -7881.2088   -7881.2088   -7952.0537   -7952.0537    274.17689    274.17689    23369.241    23369.241    836.02478    836.02478 
Loop time of 41.364 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.089 ns/day, 11.490 hours/ns, 24.176 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.825     | 40.825     | 40.825     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12049    | 0.12049    | 0.12049    |   0.0 |  0.29
Output  | 0.00015664 | 0.00015664 | 0.00015664 |   0.0 |  0.00
Modify  | 0.35243    | 0.35243    | 0.35243    |   0.0 |  0.85
Other   |            | 0.06634    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5463.00 ave        5463 max        5463 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138660.0 ave      138660 max      138660 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138660
Ave neighs/atom = 69.330000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.474406412825, Press = 0.909737259233013
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
   99000   -7881.2088   -7881.2088   -7952.0537   -7952.0537    274.17689    274.17689    23369.241    23369.241    836.02478    836.02478 
  100000   -7884.4565   -7884.4565   -7952.7228   -7952.7228    264.19753    264.19753    23402.228    23402.228   -1514.0032   -1514.0032 
Loop time of 41.2732 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.093 ns/day, 11.465 hours/ns, 24.229 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.735     | 40.735     | 40.735     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12021    | 0.12021    | 0.12021    |   0.0 |  0.29
Output  | 0.00015343 | 0.00015343 | 0.00015343 |   0.0 |  0.00
Modify  | 0.35291    | 0.35291    | 0.35291    |   0.0 |  0.86
Other   |            | 0.06518    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138455.0 ave      138455 max      138455 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138455
Ave neighs/atom = 69.227500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.442263995429, Press = 0.632446736182929
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  100000   -7884.4565   -7884.4565   -7952.7228   -7952.7228    264.19753    264.19753    23402.228    23402.228   -1514.0032   -1514.0032 
  101000   -7881.8152   -7881.8152   -7951.8701   -7951.8701     271.1196     271.1196    23424.011    23424.011   -2701.5554   -2701.5554 
Loop time of 41.2435 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.095 ns/day, 11.457 hours/ns, 24.246 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.704     | 40.704     | 40.704     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12078    | 0.12078    | 0.12078    |   0.0 |  0.29
Output  | 0.00015442 | 0.00015442 | 0.00015442 |   0.0 |  0.00
Modify  | 0.35273    | 0.35273    | 0.35273    |   0.0 |  0.86
Other   |            | 0.06626    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138156.0 ave      138156 max      138156 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138156
Ave neighs/atom = 69.078000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.445765072448, Press = -0.169449798141951
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  101000   -7881.8152   -7881.8152   -7951.8701   -7951.8701     271.1196     271.1196    23424.011    23424.011   -2701.5554   -2701.5554 
  102000   -7880.5271   -7880.5271   -7950.2424   -7950.2424    269.80525    269.80525    23384.977    23384.977    153.93541    153.93541 
Loop time of 41.2886 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.093 ns/day, 11.469 hours/ns, 24.220 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    | 40.75      | 40.75      | 40.75      |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11956    | 0.11956    | 0.11956    |   0.0 |  0.29
Output  | 0.00015334 | 0.00015334 | 0.00015334 |   0.0 |  0.00
Modify  | 0.35261    | 0.35261    | 0.35261    |   0.0 |  0.85
Other   |            | 0.06618    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5442.00 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138042.0 ave      138042 max      138042 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138042
Ave neighs/atom = 69.021000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.456529112102, Press = -0.106553718039204
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  102000   -7880.5271   -7880.5271   -7950.2424   -7950.2424    269.80525    269.80525    23384.977    23384.977    153.93541    153.93541 
  103000   -7882.0897   -7882.0897   -7952.9458   -7952.9458    274.22021    274.22021    23370.265    23370.265    834.97582    834.97582 
Loop time of 41.3553 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.089 ns/day, 11.488 hours/ns, 24.181 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.817     | 40.817     | 40.817     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11992    | 0.11992    | 0.11992    |   0.0 |  0.29
Output  | 0.00019923 | 0.00019923 | 0.00019923 |   0.0 |  0.00
Modify  | 0.35225    | 0.35225    | 0.35225    |   0.0 |  0.85
Other   |            | 0.06587    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138412.0 ave      138412 max      138412 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138412
Ave neighs/atom = 69.206000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.478104277004, Press = 0.449905114182969
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  103000   -7882.0897   -7882.0897   -7952.9458   -7952.9458    274.22021    274.22021    23370.265    23370.265    834.97582    834.97582 
  104000   -7877.7351   -7877.7351    -7949.859    -7949.859    279.12679    279.12679      23385.2      23385.2    276.16004    276.16004 
Loop time of 41.3008 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.092 ns/day, 11.472 hours/ns, 24.213 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.762     | 40.762     | 40.762     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12033    | 0.12033    | 0.12033    |   0.0 |  0.29
Output  | 0.00015256 | 0.00015256 | 0.00015256 |   0.0 |  0.00
Modify  | 0.35197    | 0.35197    | 0.35197    |   0.0 |  0.85
Other   |            | 0.06605    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5463.00 ave        5463 max        5463 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138394.0 ave      138394 max      138394 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138394
Ave neighs/atom = 69.197000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.491952119571, Press = 0.762657050954441
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  104000   -7877.7351   -7877.7351    -7949.859    -7949.859    279.12679    279.12679      23385.2      23385.2    276.16004    276.16004 
  105000   -7881.0528   -7881.0528   -7950.8474   -7950.8474    270.11233    270.11233    23398.259    23398.259    -735.5045    -735.5045 
Loop time of 41.1937 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.097 ns/day, 11.443 hours/ns, 24.276 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.656     | 40.656     | 40.656     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11988    | 0.11988    | 0.11988    |   0.0 |  0.29
Output  | 0.00020287 | 0.00020287 | 0.00020287 |   0.0 |  0.00
Modify  | 0.35158    | 0.35158    | 0.35158    |   0.0 |  0.85
Other   |            | 0.0662     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138300.0 ave      138300 max      138300 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138300
Ave neighs/atom = 69.150000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.488584156794, Press = 0.778425205738562
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  105000   -7881.0528   -7881.0528   -7950.8474   -7950.8474    270.11233    270.11233    23398.259    23398.259    -735.5045    -735.5045 
  106000   -7882.1952   -7882.1952   -7953.7834   -7953.7834    277.05385    277.05385    23444.656    23444.656   -4237.0261   -4237.0261 
Loop time of 41.2023 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.097 ns/day, 11.445 hours/ns, 24.270 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    | 40.664     | 40.664     | 40.664     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11959    | 0.11959    | 0.11959    |   0.0 |  0.29
Output  | 0.0001518  | 0.0001518  | 0.0001518  |   0.0 |  0.00
Modify  | 0.35186    | 0.35186    | 0.35186    |   0.0 |  0.85
Other   |            | 0.06634    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138249.0 ave      138249 max      138249 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138249
Ave neighs/atom = 69.124500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.480534395146, Press = 0.169780500349245
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  106000   -7882.1952   -7882.1952   -7953.7834   -7953.7834    277.05385    277.05385    23444.656    23444.656   -4237.0261   -4237.0261 
  107000   -7881.0737   -7881.0737   -7952.2953   -7952.2953    275.63483    275.63483     23386.12     23386.12     14.74423     14.74423 
Loop time of 41.1434 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.100 ns/day, 11.429 hours/ns, 24.305 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.606     | 40.606     | 40.606     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11974    | 0.11974    | 0.11974    |   0.0 |  0.29
Output  | 0.00015239 | 0.00015239 | 0.00015239 |   0.0 |  0.00
Modify  | 0.35123    | 0.35123    | 0.35123    |   0.0 |  0.85
Other   |            | 0.06633    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        137951.0 ave      137951 max      137951 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137951
Ave neighs/atom = 68.975500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.449783010246, Press = -0.132495893597546
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  107000   -7881.0737   -7881.0737   -7952.2953   -7952.2953    275.63483    275.63483     23386.12     23386.12     14.74423     14.74423 
  108000   -7882.4999   -7882.4999   -7950.6322   -7950.6322    263.67916    263.67916    23377.641    23377.641    917.71948    917.71948 
Loop time of 41.2085 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.097 ns/day, 11.447 hours/ns, 24.267 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.672     | 40.672     | 40.672     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11935    | 0.11935    | 0.11935    |   0.0 |  0.29
Output  | 0.00015357 | 0.00015357 | 0.00015357 |   0.0 |  0.00
Modify  | 0.35102    | 0.35102    | 0.35102    |   0.0 |  0.85
Other   |            | 0.06632    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5464.00 ave        5464 max        5464 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138399.0 ave      138399 max      138399 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138399
Ave neighs/atom = 69.199500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.452905204409, Press = 0.530558630661424
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  108000   -7882.4999   -7882.4999   -7950.6322   -7950.6322    263.67916    263.67916    23377.641    23377.641    917.71948    917.71948 
  109000   -7878.8985   -7878.8985   -7950.1782   -7950.1782    275.86001    275.86001    23405.138    23405.138   -1265.2041   -1265.2041 
Loop time of 41.2874 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.093 ns/day, 11.469 hours/ns, 24.220 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    | 40.75      | 40.75      | 40.75      |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11977    | 0.11977    | 0.11977    |   0.0 |  0.29
Output  | 0.00015347 | 0.00015347 | 0.00015347 |   0.0 |  0.00
Modify  | 0.35184    | 0.35184    | 0.35184    |   0.0 |  0.85
Other   |            | 0.06601    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138327.0 ave      138327 max      138327 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138327
Ave neighs/atom = 69.163500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.447842940658, Press = 0.564814612414422
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  109000   -7878.8985   -7878.8985   -7950.1782   -7950.1782    275.86001    275.86001    23405.138    23405.138   -1265.2041   -1265.2041 
  110000   -7881.9991   -7881.9991    -7953.268    -7953.268    275.81799    275.81799    23396.751    23396.751   -1018.5314   -1018.5314 
Loop time of 41.2367 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.095 ns/day, 11.455 hours/ns, 24.250 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.7       | 40.7       | 40.7       |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11919    | 0.11919    | 0.11919    |   0.0 |  0.29
Output  | 0.00015396 | 0.00015396 | 0.00015396 |   0.0 |  0.00
Modify  | 0.35201    | 0.35201    | 0.35201    |   0.0 |  0.85
Other   |            | 0.06548    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138329.0 ave      138329 max      138329 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138329
Ave neighs/atom = 69.164500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.434545144946, Press = 0.46645230033303
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  110000   -7881.9991   -7881.9991    -7953.268    -7953.268    275.81799    275.81799    23396.751    23396.751   -1018.5314   -1018.5314 
  111000   -7882.9346   -7882.9346   -7952.3194   -7952.3194    268.52638    268.52638    23412.545    23412.545   -1867.8344   -1867.8344 
Loop time of 41.2635 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.094 ns/day, 11.462 hours/ns, 24.235 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.726     | 40.726     | 40.726     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11972    | 0.11972    | 0.11972    |   0.0 |  0.29
Output  | 0.00044306 | 0.00044306 | 0.00044306 |   0.0 |  0.00
Modify  | 0.35158    | 0.35158    | 0.35158    |   0.0 |  0.85
Other   |            | 0.0661     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138256.0 ave      138256 max      138256 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138256
Ave neighs/atom = 69.128000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.422537471966, Press = 0.0324363741026257
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  111000   -7882.9346   -7882.9346   -7952.3194   -7952.3194    268.52638    268.52638    23412.545    23412.545   -1867.8344   -1867.8344 
  112000   -7881.8388   -7881.8388   -7951.5459   -7951.5459    269.77367    269.77367     23385.22     23385.22    97.230118    97.230118 
Loop time of 41.24 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.095 ns/day, 11.456 hours/ns, 24.248 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.703     | 40.703     | 40.703     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.12006    | 0.12006    | 0.12006    |   0.0 |  0.29
Output  | 0.00019462 | 0.00019462 | 0.00019462 |   0.0 |  0.00
Modify  | 0.35136    | 0.35136    | 0.35136    |   0.0 |  0.85
Other   |            | 0.06571    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138146.0 ave      138146 max      138146 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138146
Ave neighs/atom = 69.073000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.397492839112, Press = -0.28634724659173
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  112000   -7881.8388   -7881.8388   -7951.5459   -7951.5459    269.77367    269.77367     23385.22     23385.22    97.230118    97.230118 
  113000   -7882.2245   -7882.2245    -7953.209    -7953.209    274.71747    274.71747    23352.698    23352.698    2015.1853    2015.1853 
Loop time of 41.1852 on 1 procs for 1000 steps with 2000 atoms

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

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.648     | 40.648     | 40.648     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11991    | 0.11991    | 0.11991    |   0.0 |  0.29
Output  | 0.00015455 | 0.00015455 | 0.00015455 |   0.0 |  0.00
Modify  | 0.35129    | 0.35129    | 0.35129    |   0.0 |  0.85
Other   |            | 0.06598    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138354.0 ave      138354 max      138354 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138354
Ave neighs/atom = 69.177000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.397575075487, Press = 0.156824287792356
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  113000   -7882.2245   -7882.2245    -7953.209    -7953.209    274.71747    274.71747    23352.698    23352.698    2015.1853    2015.1853 
  114000   -7881.4656   -7881.4656   -7951.4895   -7951.4895    270.99985    270.99985      23359.2      23359.2    1644.7257    1644.7257 
Loop time of 40.7623 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.120 ns/day, 11.323 hours/ns, 24.532 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.229     | 40.229     | 40.229     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11851    | 0.11851    | 0.11851    |   0.0 |  0.29
Output  | 0.0001457  | 0.0001457  | 0.0001457  |   0.0 |  0.00
Modify  | 0.3487     | 0.3487     | 0.3487     |   0.0 |  0.86
Other   |            | 0.06627    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138597.0 ave      138597 max      138597 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138597
Ave neighs/atom = 69.298500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.380827930202, Press = 0.57370460843705
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  114000   -7881.4656   -7881.4656   -7951.4895   -7951.4895    270.99985    270.99985      23359.2      23359.2    1644.7257    1644.7257 
  115000    -7881.497    -7881.497   -7952.8207   -7952.8207    276.03018    276.03018    23379.931    23379.931    235.31254    235.31254 
Loop time of 40.7234 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.122 ns/day, 11.312 hours/ns, 24.556 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.189     | 40.189     | 40.189     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1186     | 0.1186     | 0.1186     |   0.0 |  0.29
Output  | 0.00015636 | 0.00015636 | 0.00015636 |   0.0 |  0.00
Modify  | 0.34996    | 0.34996    | 0.34996    |   0.0 |  0.86
Other   |            | 0.0656     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138531.0 ave      138531 max      138531 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138531
Ave neighs/atom = 69.265500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.385045764404, Press = 0.856316808778266
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  115000    -7881.497    -7881.497   -7952.8207   -7952.8207    276.03018    276.03018    23379.931    23379.931    235.31254    235.31254 
  116000   -7880.4253   -7880.4253   -7950.8523   -7950.8523    272.55987    272.55987    23400.421    23400.421   -1185.8601   -1185.8601 
Loop time of 40.7532 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.120 ns/day, 11.320 hours/ns, 24.538 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.217     | 40.217     | 40.217     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11848    | 0.11848    | 0.11848    |   0.0 |  0.29
Output  | 0.00014641 | 0.00014641 | 0.00014641 |   0.0 |  0.00
Modify  | 0.35       | 0.35       | 0.35       |   0.0 |  0.86
Other   |            | 0.06715    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138291.0 ave      138291 max      138291 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138291
Ave neighs/atom = 69.145500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.384871918868, Press = 0.352620772729405
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  116000   -7880.4253   -7880.4253   -7950.8523   -7950.8523    272.55987    272.55987    23400.421    23400.421   -1185.8601   -1185.8601 
  117000   -7881.3003   -7881.3003   -7952.3293   -7952.3293    274.88959    274.88959    23392.781    23392.781    -563.2946    -563.2946 
Loop time of 40.5667 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.130 ns/day, 11.269 hours/ns, 24.651 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.036     | 40.036     | 40.036     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11822    | 0.11822    | 0.11822    |   0.0 |  0.29
Output  | 0.00015263 | 0.00015263 | 0.00015263 |   0.0 |  0.00
Modify  | 0.34656    | 0.34656    | 0.34656    |   0.0 |  0.85
Other   |            | 0.06616    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138267.0 ave      138267 max      138267 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138267
Ave neighs/atom = 69.133500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.372228921898, Press = 0.0147302613252602
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  117000   -7881.3003   -7881.3003   -7952.3293   -7952.3293    274.88959    274.88959    23392.781    23392.781    -563.2946    -563.2946 
  118000   -7881.5354   -7881.5354   -7953.1181   -7953.1181    277.03214    277.03214    23372.247    23372.247    835.50654    835.50654 
Loop time of 40.6296 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.127 ns/day, 11.286 hours/ns, 24.613 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.097     | 40.097     | 40.097     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11885    | 0.11885    | 0.11885    |   0.0 |  0.29
Output  | 0.00014525 | 0.00014525 | 0.00014525 |   0.0 |  0.00
Modify  | 0.34819    | 0.34819    | 0.34819    |   0.0 |  0.86
Other   |            | 0.06559    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5452.00 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138309.0 ave      138309 max      138309 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138309
Ave neighs/atom = 69.154500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.372909770151, Press = 0.138827471975049
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  118000   -7881.5354   -7881.5354   -7953.1181   -7953.1181    277.03214    277.03214    23372.247    23372.247    835.50654    835.50654 
  119000   -7882.1246   -7882.1246   -7951.7972   -7951.7972    269.64007    269.64007    23379.449    23379.449    136.77278    136.77278 
Loop time of 40.448 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.136 ns/day, 11.236 hours/ns, 24.723 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.919     | 39.919     | 39.919     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11819    | 0.11819    | 0.11819    |   0.0 |  0.29
Output  | 0.00015286 | 0.00015286 | 0.00015286 |   0.0 |  0.00
Modify  | 0.34511    | 0.34511    | 0.34511    |   0.0 |  0.85
Other   |            | 0.06538    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5442.00 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138396.0 ave      138396 max      138396 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138396
Ave neighs/atom = 69.198000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.360257508786, Press = 0.729235917690673
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  119000   -7882.1246   -7882.1246   -7951.7972   -7951.7972    269.64007    269.64007    23379.449    23379.449    136.77278    136.77278 
  120000   -7882.5157   -7882.5157   -7953.0068   -7953.0068    272.80768    272.80768    23409.283    23409.283    -1815.788    -1815.788 
Loop time of 40.4388 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.137 ns/day, 11.233 hours/ns, 24.729 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.907     | 39.907     | 39.907     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.1186     | 0.1186     | 0.1186     |   0.0 |  0.29
Output  | 0.00014608 | 0.00014608 | 0.00014608 |   0.0 |  0.00
Modify  | 0.34762    | 0.34762    | 0.34762    |   0.0 |  0.86
Other   |            | 0.06539    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5459.00 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138409.0 ave      138409 max      138409 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138409
Ave neighs/atom = 69.204500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.375408633179, Press = 0.9217244583765
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  120000   -7882.5157   -7882.5157   -7953.0068   -7953.0068    272.80768    272.80768    23409.283    23409.283    -1815.788    -1815.788 
  121000   -7881.9745   -7881.9745   -7951.9509   -7951.9509    270.81579    270.81579    23434.887    23434.887   -3608.6371   -3608.6371 
Loop time of 40.5068 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.133 ns/day, 11.252 hours/ns, 24.687 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.972     | 39.972     | 39.972     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11928    | 0.11928    | 0.11928    |   0.0 |  0.29
Output  | 0.00019776 | 0.00019776 | 0.00019776 |   0.0 |  0.00
Modify  | 0.34823    | 0.34823    | 0.34823    |   0.0 |  0.86
Other   |            | 0.06679    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138157.0 ave      138157 max      138157 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138157
Ave neighs/atom = 69.078500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.378581133356, Press = 0.131407345573265
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  121000   -7881.9745   -7881.9745   -7951.9509   -7951.9509    270.81579    270.81579    23434.887    23434.887   -3608.6371   -3608.6371 
  122000   -7881.2879   -7881.2879   -7950.6373   -7950.6373    268.38936    268.38936    23388.461    23388.461   -137.95406   -137.95406 
Loop time of 40.5287 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.132 ns/day, 11.258 hours/ns, 24.674 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    | 39.996     | 39.996     | 39.996     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11889    | 0.11889    | 0.11889    |   0.0 |  0.29
Output  | 0.00014611 | 0.00014611 | 0.00014611 |   0.0 |  0.00
Modify  | 0.34781    | 0.34781    | 0.34781    |   0.0 |  0.86
Other   |            | 0.06638    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5441.00 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138079.0 ave      138079 max      138079 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138079
Ave neighs/atom = 69.039500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.377743408927, Press = 0.0291259208601434
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  122000   -7881.2879   -7881.2879   -7950.6373   -7950.6373    268.38936    268.38936    23388.461    23388.461   -137.95406   -137.95406 
  123000   -7884.2485   -7884.2485   -7952.0366   -7952.0366    262.34707    262.34707    23378.957    23378.957    203.08846    203.08846 
Loop time of 40.6219 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.127 ns/day, 11.284 hours/ns, 24.617 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.091     | 40.091     | 40.091     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11801    | 0.11801    | 0.11801    |   0.0 |  0.29
Output  | 0.00014625 | 0.00014625 | 0.00014625 |   0.0 |  0.00
Modify  | 0.34718    | 0.34718    | 0.34718    |   0.0 |  0.85
Other   |            | 0.06563    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138402.0 ave      138402 max      138402 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138402
Ave neighs/atom = 69.201000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.356018894363, Press = 0.129512521732091
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  123000   -7884.2485   -7884.2485   -7952.0366   -7952.0366    262.34707    262.34707    23378.957    23378.957    203.08846    203.08846 
  124000   -7883.0552   -7883.0552   -7953.3158   -7953.3158    271.91615    271.91615    23357.059    23357.059    1543.6019    1543.6019 
Loop time of 40.5614 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.130 ns/day, 11.267 hours/ns, 24.654 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.031     | 40.031     | 40.031     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11894    | 0.11894    | 0.11894    |   0.0 |  0.29
Output  | 0.00015315 | 0.00015315 | 0.00015315 |   0.0 |  0.00
Modify  | 0.3468     | 0.3468     | 0.3468     |   0.0 |  0.85
Other   |            | 0.06494    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138372.0 ave      138372 max      138372 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138372
Ave neighs/atom = 69.186000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.353635996392, Press = 0.450302200077401
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  124000   -7883.0552   -7883.0552   -7953.3158   -7953.3158    271.91615    271.91615    23357.059    23357.059    1543.6019    1543.6019 
  125000   -7878.9745   -7878.9745   -7950.2258   -7950.2258    275.75024    275.75024    23372.856    23372.856    752.83241    752.83241 
Loop time of 40.7198 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.122 ns/day, 11.311 hours/ns, 24.558 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.186     | 40.186     | 40.186     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11902    | 0.11902    | 0.11902    |   0.0 |  0.29
Output  | 0.00015107 | 0.00015107 | 0.00015107 |   0.0 |  0.00
Modify  | 0.34972    | 0.34972    | 0.34972    |   0.0 |  0.86
Other   |            | 0.06506    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138426.0 ave      138426 max      138426 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138426
Ave neighs/atom = 69.213000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.365159744164, Press = 0.832961970314566
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  125000   -7878.9745   -7878.9745   -7950.2258   -7950.2258    275.75024    275.75024    23372.856    23372.856    752.83241    752.83241 
  126000   -7881.6174   -7881.6174    -7952.135    -7952.135    272.91035    272.91035    23414.119    23414.119   -2171.1525   -2171.1525 
Loop time of 40.5159 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.132 ns/day, 11.254 hours/ns, 24.682 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.985     | 39.985     | 39.985     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11785    | 0.11785    | 0.11785    |   0.0 |  0.29
Output  | 0.00014719 | 0.00014719 | 0.00014719 |   0.0 |  0.00
Modify  | 0.34725    | 0.34725    | 0.34725    |   0.0 |  0.86
Other   |            | 0.06568    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138432.0 ave      138432 max      138432 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138432
Ave neighs/atom = 69.216000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.368132969068, Press = 0.387813340961
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  126000   -7881.6174   -7881.6174    -7952.135    -7952.135    272.91035    272.91035    23414.119    23414.119   -2171.1525   -2171.1525 
  127000   -7880.8656   -7880.8656   -7952.0491   -7952.0491     275.4877     275.4877    23416.164    23416.164   -2240.3898   -2240.3898 
Loop time of 40.4711 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.135 ns/day, 11.242 hours/ns, 24.709 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.942     | 39.942     | 39.942     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11782    | 0.11782    | 0.11782    |   0.0 |  0.29
Output  | 0.00014616 | 0.00014616 | 0.00014616 |   0.0 |  0.00
Modify  | 0.34537    | 0.34537    | 0.34537    |   0.0 |  0.85
Other   |            | 0.06622    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138206.0 ave      138206 max      138206 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138206
Ave neighs/atom = 69.103000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.386986451795, Press = -0.0692481497051418
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  127000   -7880.8656   -7880.8656   -7952.0491   -7952.0491     275.4877     275.4877    23416.164    23416.164   -2240.3898   -2240.3898 
  128000   -7885.0941   -7885.0941    -7954.937    -7954.937    270.29922    270.29922     23382.59     23382.59    -354.5648    -354.5648 
Loop time of 40.3651 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.140 ns/day, 11.213 hours/ns, 24.774 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.835     | 39.835     | 39.835     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11841    | 0.11841    | 0.11841    |   0.0 |  0.29
Output  | 0.0001453  | 0.0001453  | 0.0001453  |   0.0 |  0.00
Modify  | 0.34593    | 0.34593    | 0.34593    |   0.0 |  0.86
Other   |            | 0.06562    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138174.0 ave      138174 max      138174 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138174
Ave neighs/atom = 69.087000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.376064688834, Press = -0.324717685810952
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  128000   -7885.0941   -7885.0941    -7954.937    -7954.937    270.29922    270.29922     23382.59     23382.59    -354.5648    -354.5648 
  129000   -7881.9911   -7881.9911    -7951.499    -7951.499    269.00274    269.00274    23363.755    23363.755    1421.4289    1421.4289 
Loop time of 40.4721 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.135 ns/day, 11.242 hours/ns, 24.708 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.94      | 39.94      | 39.94      |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11824    | 0.11824    | 0.11824    |   0.0 |  0.29
Output  | 0.00015319 | 0.00015319 | 0.00015319 |   0.0 |  0.00
Modify  | 0.3483     | 0.3483     | 0.3483     |   0.0 |  0.86
Other   |            | 0.06585    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138223.0 ave      138223 max      138223 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138223
Ave neighs/atom = 69.111500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.371880469516, Press = 0.194224877395703
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  129000   -7881.9911   -7881.9911    -7951.499    -7951.499    269.00274    269.00274    23363.755    23363.755    1421.4289    1421.4289 
  130000   -7879.8211   -7879.8211   -7952.9327   -7952.9327    282.94967    282.94967    23387.398    23387.398   -342.56595   -342.56595 
Loop time of 40.4278 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.137 ns/day, 11.230 hours/ns, 24.735 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.896     | 39.896     | 39.896     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11872    | 0.11872    | 0.11872    |   0.0 |  0.29
Output  | 0.00014508 | 0.00014508 | 0.00014508 |   0.0 |  0.00
Modify  | 0.34668    | 0.34668    | 0.34668    |   0.0 |  0.86
Other   |            | 0.06645    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138480.0 ave      138480 max      138480 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138480
Ave neighs/atom = 69.240000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.372662961796, Press = 0.498862342252151
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  130000   -7879.8211   -7879.8211   -7952.9327   -7952.9327    282.94967    282.94967    23387.398    23387.398   -342.56595   -342.56595 
  131000   -7879.5645   -7879.5645   -7951.7707   -7951.7707    279.44573    279.44573    23414.717    23414.717   -2227.4866   -2227.4866 
Loop time of 40.5271 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.132 ns/day, 11.258 hours/ns, 24.675 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.999     | 39.999     | 39.999     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11845    | 0.11845    | 0.11845    |   0.0 |  0.29
Output  | 0.00015409 | 0.00015409 | 0.00015409 |   0.0 |  0.00
Modify  | 0.3451     | 0.3451     | 0.3451     |   0.0 |  0.85
Other   |            | 0.06489    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138301.0 ave      138301 max      138301 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138301
Ave neighs/atom = 69.150500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.39946184217, Press = 0.135663650252363
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  131000   -7879.5645   -7879.5645   -7951.7707   -7951.7707    279.44573    279.44573    23414.717    23414.717   -2227.4866   -2227.4866 
  132000   -7881.6078   -7881.6078   -7951.1256   -7951.1256     269.0409     269.0409     23392.52     23392.52   -818.98697   -818.98697 
Loop time of 40.473 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.135 ns/day, 11.243 hours/ns, 24.708 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.942     | 39.942     | 39.942     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11815    | 0.11815    | 0.11815    |   0.0 |  0.29
Output  | 0.00014558 | 0.00014558 | 0.00014558 |   0.0 |  0.00
Modify  | 0.34703    | 0.34703    | 0.34703    |   0.0 |  0.86
Other   |            | 0.06569    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138175.0 ave      138175 max      138175 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138175
Ave neighs/atom = 69.087500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.395706396891, Press = 0.0338999617372737
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  132000   -7881.6078   -7881.6078   -7951.1256   -7951.1256     269.0409     269.0409     23392.52     23392.52   -818.98697   -818.98697 
  133000   -7880.1603   -7880.1603   -7951.1563   -7951.1563    274.76194    274.76194    23354.086    23354.086    1847.8432    1847.8432 
Loop time of 40.6642 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.125 ns/day, 11.296 hours/ns, 24.592 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.13      | 40.13      | 40.13      |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11938    | 0.11938    | 0.11938    |   0.0 |  0.29
Output  | 0.00019973 | 0.00019973 | 0.00019973 |   0.0 |  0.00
Modify  | 0.34899    | 0.34899    | 0.34899    |   0.0 |  0.86
Other   |            | 0.0653     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5463.00 ave        5463 max        5463 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138278.0 ave      138278 max      138278 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138278
Ave neighs/atom = 69.139000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.409152199847, Press = 0.24120756892598
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  133000   -7880.1603   -7880.1603   -7951.1563   -7951.1563    274.76194    274.76194    23354.086    23354.086    1847.8432    1847.8432 
  134000   -7882.5794   -7882.5794   -7953.7698   -7953.7698    275.51417    275.51417      23341.5      23341.5    2727.4395    2727.4395 
Loop time of 40.4934 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.134 ns/day, 11.248 hours/ns, 24.695 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.964     | 39.964     | 39.964     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11825    | 0.11825    | 0.11825    |   0.0 |  0.29
Output  | 0.00014428 | 0.00014428 | 0.00014428 |   0.0 |  0.00
Modify  | 0.34557    | 0.34557    | 0.34557    |   0.0 |  0.85
Other   |            | 0.06528    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5441.00 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138495.0 ave      138495 max      138495 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138495
Ave neighs/atom = 69.247500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.398788600072, Press = 0.729664284942274
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  134000   -7882.5794   -7882.5794   -7953.7698   -7953.7698    275.51417    275.51417      23341.5      23341.5    2727.4395    2727.4395 
  135000   -7879.4166   -7879.4166   -7951.8988   -7951.8988    280.51371    280.51371    23374.796    23374.796    550.92707    550.92707 
Loop time of 40.4698 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.135 ns/day, 11.242 hours/ns, 24.710 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.94      | 39.94      | 39.94      |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11827    | 0.11827    | 0.11827    |   0.0 |  0.29
Output  | 0.00014502 | 0.00014502 | 0.00014502 |   0.0 |  0.00
Modify  | 0.34651    | 0.34651    | 0.34651    |   0.0 |  0.86
Other   |            | 0.06491    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5463.00 ave        5463 max        5463 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138450.0 ave      138450 max      138450 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138450
Ave neighs/atom = 69.225000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.402123649417, Press = 0.698289081856342
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  135000   -7879.4166   -7879.4166   -7951.8988   -7951.8988    280.51371    280.51371    23374.796    23374.796    550.92707    550.92707 
  136000   -7880.8606   -7880.8606   -7951.4117   -7951.4117    273.04015    273.04015    23403.493    23403.493   -1368.7444   -1368.7444 
Loop time of 40.5609 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.130 ns/day, 11.267 hours/ns, 24.654 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.029     | 40.029     | 40.029     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11862    | 0.11862    | 0.11862    |   0.0 |  0.29
Output  | 0.00019354 | 0.00019354 | 0.00019354 |   0.0 |  0.00
Modify  | 0.3471     | 0.3471     | 0.3471     |   0.0 |  0.86
Other   |            | 0.06646    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138428.0 ave      138428 max      138428 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138428
Ave neighs/atom = 69.214000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.400681716768, Press = 0.706143045763363
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  136000   -7880.8606   -7880.8606   -7951.4117   -7951.4117    273.04015    273.04015    23403.493    23403.493   -1368.7444   -1368.7444 
  137000   -7884.4576   -7884.4576   -7952.2174   -7952.2174    262.23746    262.23746    23409.343    23409.343   -1942.9684   -1942.9684 
Loop time of 40.4922 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.134 ns/day, 11.248 hours/ns, 24.696 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.961     | 39.961     | 39.961     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11774    | 0.11774    | 0.11774    |   0.0 |  0.29
Output  | 0.00014534 | 0.00014534 | 0.00014534 |   0.0 |  0.00
Modify  | 0.34766    | 0.34766    | 0.34766    |   0.0 |  0.86
Other   |            | 0.06595    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138257.0 ave      138257 max      138257 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138257
Ave neighs/atom = 69.128500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.394020133019, Press = 0.202336660988046
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  137000   -7884.4576   -7884.4576   -7952.2174   -7952.2174    262.23746    262.23746    23409.343    23409.343   -1942.9684   -1942.9684 
  138000   -7880.2936   -7880.2936   -7950.5669   -7950.5669    271.96464    271.96464    23390.177    23390.177   -660.32407   -660.32407 
Loop time of 40.6017 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.128 ns/day, 11.278 hours/ns, 24.630 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.07      | 40.07      | 40.07      |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11858    | 0.11858    | 0.11858    |   0.0 |  0.29
Output  | 0.00014609 | 0.00014609 | 0.00014609 |   0.0 |  0.00
Modify  | 0.34771    | 0.34771    | 0.34771    |   0.0 |  0.86
Other   |            | 0.0654     |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138184.0 ave      138184 max      138184 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138184
Ave neighs/atom = 69.092000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.383864557855, Press = 0.0271725793719637
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  138000   -7880.2936   -7880.2936   -7950.5669   -7950.5669    271.96464    271.96464    23390.177    23390.177   -660.32407   -660.32407 
  139000   -7883.2364   -7883.2364   -7952.9429   -7952.9429    269.77135    269.77135    23355.212    23355.212    1717.3585    1717.3585 
Loop time of 40.437 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.137 ns/day, 11.233 hours/ns, 24.730 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.904     | 39.904     | 39.904     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11906    | 0.11906    | 0.11906    |   0.0 |  0.29
Output  | 0.00014532 | 0.00014532 | 0.00014532 |   0.0 |  0.00
Modify  | 0.34735    | 0.34735    | 0.34735    |   0.0 |  0.86
Other   |            | 0.06598    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138437.0 ave      138437 max      138437 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138437
Ave neighs/atom = 69.218500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.369044844357, Press = 0.0411565079145207
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  139000   -7883.2364   -7883.2364   -7952.9429   -7952.9429    269.77135    269.77135    23355.212    23355.212    1717.3585    1717.3585 
  140000   -7880.0475   -7880.0475   -7952.2633   -7952.2633    279.48276    279.48276    23366.069    23366.069     1205.227     1205.227 
Loop time of 40.4793 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.134 ns/day, 11.244 hours/ns, 24.704 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.95      | 39.95      | 39.95      |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11738    | 0.11738    | 0.11738    |   0.0 |  0.29
Output  | 0.00054438 | 0.00054438 | 0.00054438 |   0.0 |  0.00
Modify  | 0.34578    | 0.34578    | 0.34578    |   0.0 |  0.85
Other   |            | 0.06542    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138434.0 ave      138434 max      138434 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138434
Ave neighs/atom = 69.217000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.351450890969, Press = 0.422640217795988
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  140000   -7880.0475   -7880.0475   -7952.2633   -7952.2633    279.48276    279.48276    23366.069    23366.069     1205.227     1205.227 
  141000   -7884.6456   -7884.6456   -7951.9501   -7951.9501     260.4754     260.4754    23393.634    23393.634   -1023.1731   -1023.1731 
Loop time of 40.4599 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.135 ns/day, 11.239 hours/ns, 24.716 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 39.929     | 39.929     | 39.929     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11733    | 0.11733    | 0.11733    |   0.0 |  0.29
Output  | 0.00023712 | 0.00023712 | 0.00023712 |   0.0 |  0.00
Modify  | 0.34662    | 0.34662    | 0.34662    |   0.0 |  0.86
Other   |            | 0.06636    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138520.0 ave      138520 max      138520 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138520
Ave neighs/atom = 69.260000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 273.342530750721, Press = 0.370821864222644
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
  141000   -7884.6456   -7884.6456   -7951.9501   -7951.9501     260.4754     260.4754    23393.634    23393.634   -1023.1731   -1023.1731 
  142000   -7882.1035   -7882.1035   -7954.5949   -7954.5949    280.54925    280.54925    23404.704    23404.704   -1683.2651   -1683.2651 
Loop time of 40.5368 on 1 procs for 1000 steps with 2000 atoms

Performance: 2.131 ns/day, 11.260 hours/ns, 24.669 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 40.005     | 40.005     | 40.005     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.11752    | 0.11752    | 0.11752    |   0.0 |  0.29
Output  | 0.00014651 | 0.00014651 | 0.00014651 |   0.0 |  0.00
Modify  | 0.34798    | 0.34798    | 0.34798    |   0.0 |  0.86
Other   |            | 0.06606    |            |       |  0.16

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138326.0 ave      138326 max      138326 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138326
Ave neighs/atom = 69.163000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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_T273.15.out"  else  "print 'not_converged'  file output/vol_T273.15.out"
print '${V}'  file output/vol_T273.15.out
23383.235610173

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0