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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 3.438187837600708*${_u_distance}
variable latticeconst_converted equal 3.438187837600708*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  3.43818783760071
Lattice spacing in x,y,z = 3.4381878 3.4381878 3.4381878
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0 0 0) to (34.381878 34.381878 34.381878)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0 0 0) to (34.381878 34.381878 34.381878)
  create_atoms CPU = 0.000 seconds

variable mass_converted equal 6.941*${_u_mass}
variable mass_converted equal 6.941*1

kim_interactions Li

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

kim interactions Li
#=== BEGIN kim interactions ==================================
variable kim_update equal 0
variable kim_periodic equal 1
pair_style reax/c NULL safezone 2.0 mincap 100
pair_coeff * * /tmp/kim-shared-library-parameter-file-directory-XXXXXXrrogYG/ffield_LiS_PCCP2015.txt Li
WARNING: Van der Waals parameters for element LI indicate inner wall+shielding, but earlier atoms indicate a different van der Waals method. This may cause division-by-zero errors. Keeping van der Waals setting for earlier atoms. (src/REAXFF/reaxff_ffield.cpp:251)
fix reaxqeq all qeq/reax 1 0.0 10.0 1.0e-6 reax/c
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 6.941

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 40643.2846693283    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 40643.2846693283/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 40643.2846693283/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 40643.2846693283/(1*1*${_u_distance})
variable      V0_metal equal 40643.2846693283/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 40643.2846693283*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 40643.2846693283 Angstroms^3

# set the time step to 0.001 picoseconds
variable timestep_converted equal 0.001*${_u_time}
variable timestep_converted equal 0.001*1000
timestep ${timestep_converted}
timestep 1

variable temp_converted equal 293.15*${_u_temperature}
variable temp_converted equal 293.15*1
variable Tdamp_converted equal 0.1*${_u_time}
variable Tdamp_converted equal 0.1*1000
variable press_converted equal 0.0*${_u_pressure}
variable press_converted equal 0.0*0.986923266716013
variable Pdamp_converted equal 1*${_u_time}
variable Pdamp_converted equal 1*1000

# create initial velocities consistent with the chosen temperature
velocity      all create ${temp_converted} 17 mom yes rot yes
velocity      all create 293.15 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 293.15 ${temp_converted} ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 ${Tdamp_converted}               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 100               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 100               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 100               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 100               iso 0 0 1000

# compute the time averages of pressure, temperature, and volume, respectively
# ignore the first 5000 timesteps
variable      etotal_metal equal etotal/${_u_energy}
variable      etotal_metal equal etotal/23.0605480120695
variable      pe_metal equal pe/${_u_energy}
variable      pe_metal equal pe/23.0605480120695
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/0.986923266716013
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  "293.15 - 0.2"
variable      T_up  equal  "293.15 + 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_058492438145_000#item-citation

- pair reaxff command:

@Article{Aktulga12,
 author = {H. M. Aktulga, J. C. Fogarty, S. A. Pandit, A. Y. Grama},
 title = {Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques},
 journal = {Parallel Computing},
 year =    2012,
 volume =  38,
 pages =   {245--259}
}

- fix qeq/reaxff command:

@Article{Aktulga12,
 author = {H. M. Aktulga, J. C. Fogarty, S. A. Pandit, A. Y. Grama},
 title = {Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques},
 journal = {Parallel Computing},
 year =    2012,
 volume =  38,
 pages =   {245--259}
}

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: 4000, page size: 100000
  master list distance cutoff = 12
  ghost atom cutoff = 12
  binsize = 6, bins = 6 6 6
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair reax/c, perpetual
      attributes: half, newton off, ghost
      pair build: half/bin/newtoff/ghost
      stencil: full/ghost/bin/3d
      bin: standard
  (2) fix qeq/reax, perpetual, copy from (1)
      attributes: half, newton off
      pair build: copy
      stencil: none
      bin: none
Per MPI rank memory allocation (min/avg/max) = 247.6 | 247.6 | 247.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
         0  -73661.733     -3194.275      -75408.508     -3270.0224      293.15         293.15         40643.285      40643.285      1964.6178      1990.649     
      1000  -71709.528     -3109.6194     -73439.394     -3184.6335      290.31217      290.31217      40416.166      40416.166      400.09955      405.40087    
Loop time of 176.679 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.489 ns/day, 49.078 hours/ns, 5.660 timesteps/s
77.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 159.07     | 159.07     | 159.07     |   0.0 | 90.03
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.029122   | 0.029122   | 0.029122   |   0.0 |  0.02
Output  | 0.00014913 | 0.00014913 | 0.00014913 |   0.0 |  0.00
Modify  | 17.556     | 17.556     | 17.556     |   0.0 |  9.94
Other   |            | 0.02056    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7009 ave        7009 max        7009 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         453912 ave      453912 max      453912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 453912
Ave neighs/atom = 226.956
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      1000  -71709.528     -3109.6194     -73439.394     -3184.6335      290.31217      290.31217      40416.166      40416.166      400.09955      405.40087    
      2000  -71792.189     -3113.2039     -73568.691     -3190.2404      298.13889      298.13889      40667.806      40667.806     -450.87072     -456.84476    
Loop time of 254.619 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.339 ns/day, 70.727 hours/ns, 3.927 timesteps/s
57.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 227.34     | 227.34     | 227.34     |   0.0 | 89.29
Neigh   | 2.4538     | 2.4538     | 2.4538     |   0.0 |  0.96
Comm    | 0.052065   | 0.052065   | 0.052065   |   0.0 |  0.02
Output  | 9.7934e-05 | 9.7934e-05 | 9.7934e-05 |   0.0 |  0.00
Modify  | 24.73      | 24.73      | 24.73      |   0.0 |  9.71
Other   |            | 0.04336    |            |       |  0.02

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7651 ave        7651 max        7651 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         458232 ave      458232 max      458232 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 458232
Ave neighs/atom = 229.116
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      2000  -71792.189     -3113.2039     -73568.691     -3190.2404      298.13889      298.13889      40667.806      40667.806     -450.87072     -456.84476    
      3000  -71764.59      -3112.0071     -73495.621     -3187.0718      290.50784      290.50784      40503.016      40503.016     -44.449123     -45.038074    
Loop time of 237.818 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.363 ns/day, 66.061 hours/ns, 4.205 timesteps/s
61.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 212.79     | 212.79     | 212.79     |   0.0 | 89.48
Neigh   | 2.1245     | 2.1245     | 2.1245     |   0.0 |  0.89
Comm    | 0.086372   | 0.086372   | 0.086372   |   0.0 |  0.04
Output  | 9.1382e-05 | 9.1382e-05 | 9.1382e-05 |   0.0 |  0.00
Modify  | 22.806     | 22.806     | 22.806     |   0.0 |  9.59
Other   |            | 0.01223    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7769 ave        7769 max        7769 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462017 ave      462017 max      462017 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462017
Ave neighs/atom = 231.0085
Neighbor list builds = 22
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      3000  -71764.59      -3112.0071     -73495.621     -3187.0718      290.50784      290.50784      40503.016      40503.016     -44.449123     -45.038074    
      4000  -71765.889     -3112.0635     -73521.382     -3188.1888      294.61302      294.61302      40568.108      40568.108     -219.73121     -222.64265    
Loop time of 225.453 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.383 ns/day, 62.626 hours/ns, 4.436 timesteps/s
64.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 201.92     | 201.92     | 201.92     |   0.0 | 89.56
Neigh   | 1.9162     | 1.9162     | 1.9162     |   0.0 |  0.85
Comm    | 0.069472   | 0.069472   | 0.069472   |   0.0 |  0.03
Output  | 9.2715e-05 | 9.2715e-05 | 9.2715e-05 |   0.0 |  0.00
Modify  | 21.533     | 21.533     | 21.533     |   0.0 |  9.55
Other   |            | 0.01184    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7777 ave        7777 max        7777 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460922 ave      460922 max      460922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460922
Ave neighs/atom = 230.461
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      4000  -71765.889     -3112.0635     -73521.382     -3188.1888      294.61302      294.61302      40568.108      40568.108     -219.73121     -222.64265    
      5000  -71782.398     -3112.7793     -73520.57      -3188.1536      291.70621      291.70621      40472.9        40472.9        156.28359      158.35434    
Loop time of 245.917 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.351 ns/day, 68.310 hours/ns, 4.066 timesteps/s
59.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 219.73     | 219.73     | 219.73     |   0.0 | 89.35
Neigh   | 2.049      | 2.049      | 2.049      |   0.0 |  0.83
Comm    | 0.033848   | 0.033848   | 0.033848   |   0.0 |  0.01
Output  | 6.8388e-05 | 6.8388e-05 | 6.8388e-05 |   0.0 |  0.00
Modify  | 24.096     | 24.096     | 24.096     |   0.0 |  9.80
Other   |            | 0.01197    |            |       |  0.00

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7723 ave        7723 max        7723 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461622 ave      461622 max      461622 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461622
Ave neighs/atom = 230.811
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.625131313271, Press = 195.392054307468
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      5000  -71782.398     -3112.7793     -73520.57      -3188.1536      291.70621      291.70621      40472.9        40472.9        156.28359      158.35434    
      6000  -71749.369     -3111.3471     -73503.895     -3187.4305      294.4507       294.4507       40595.097      40595.097     -360.07663     -364.84764    
Loop time of 206.005 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.419 ns/day, 57.224 hours/ns, 4.854 timesteps/s
71.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 184.01     | 184.01     | 184.01     |   0.0 | 89.32
Neigh   | 1.8615     | 1.8615     | 1.8615     |   0.0 |  0.90
Comm    | 0.033595   | 0.033595   | 0.033595   |   0.0 |  0.02
Output  | 5.1818e-05 | 5.1818e-05 | 5.1818e-05 |   0.0 |  0.00
Modify  | 20.092     | 20.092     | 20.092     |   0.0 |  9.75
Other   |            | 0.01213    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7770 ave        7770 max        7770 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459903 ave      459903 max      459903 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459903
Ave neighs/atom = 229.9515
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.272663137894, Press = -30.5135299251204
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      6000  -71749.369     -3111.3471     -73503.895     -3187.4305      294.4507       294.4507       40595.097      40595.097     -360.07663     -364.84764    
      7000  -71869.658     -3116.5633     -73575.329     -3190.5282      286.25176      286.25176      40520.911      40520.911     -88.2705       -89.440084    
Loop time of 292.605 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.295 ns/day, 81.279 hours/ns, 3.418 timesteps/s
50.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 261.7      | 261.7      | 261.7      |   0.0 | 89.44
Neigh   | 2.4362     | 2.4362     | 2.4362     |   0.0 |  0.83
Comm    | 0.082291   | 0.082291   | 0.082291   |   0.0 |  0.03
Output  | 5.1727e-05 | 5.1727e-05 | 5.1727e-05 |   0.0 |  0.00
Modify  | 28.361     | 28.361     | 28.361     |   0.0 |  9.69
Other   |            | 0.02946    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7844 ave        7844 max        7844 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461312 ave      461312 max      461312 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461312
Ave neighs/atom = 230.656
Neighbor list builds = 22
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.685581114147, Press = 32.5929506054195
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      7000  -71869.658     -3116.5633     -73575.329     -3190.5282      286.25176      286.25176      40520.911      40520.911     -88.2705       -89.440084    
      8000  -71774.586     -3112.4406     -73522.939     -3188.2564      293.41478      293.41478      40439.93       40439.93       235.83883      238.96369    
Loop time of 272.496 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.317 ns/day, 75.693 hours/ns, 3.670 timesteps/s
54.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 243.57     | 243.57     | 243.57     |   0.0 | 89.39
Neigh   | 2.1601     | 2.1601     | 2.1601     |   0.0 |  0.79
Comm    | 0.061858   | 0.061858   | 0.061858   |   0.0 |  0.02
Output  | 6.1686e-05 | 6.1686e-05 | 6.1686e-05 |   0.0 |  0.00
Modify  | 26.687     | 26.687     | 26.687     |   0.0 |  9.79
Other   |            | 0.01225    |            |       |  0.00

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7862 ave        7862 max        7862 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461545 ave      461545 max      461545 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461545
Ave neighs/atom = 230.7725
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.280766480597, Press = -4.13876708130941
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      8000  -71774.586     -3112.4406     -73522.939     -3188.2564      293.41478      293.41478      40439.93       40439.93       235.83883      238.96369    
      9000  -71740.708     -3110.9715     -73497.227     -3187.1414      294.7852       294.7852       40545.45       40545.45      -131.91552     -133.6634     
Loop time of 230.826 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.374 ns/day, 64.118 hours/ns, 4.332 timesteps/s
64.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 206.21     | 206.21     | 206.21     |   0.0 | 89.33
Neigh   | 2.2088     | 2.2088     | 2.2088     |   0.0 |  0.96
Comm    | 0.044959   | 0.044959   | 0.044959   |   0.0 |  0.02
Output  | 6.8198e-05 | 6.8198e-05 | 6.8198e-05 |   0.0 |  0.00
Modify  | 22.353     | 22.353     | 22.353     |   0.0 |  9.68
Other   |            | 0.01215    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7790 ave        7790 max        7790 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461246 ave      461246 max      461246 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461246
Ave neighs/atom = 230.623
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.55585501822, Press = 6.25096452724213
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      9000  -71740.708     -3110.9715     -73497.227     -3187.1414      294.7852       294.7852       40545.45       40545.45      -131.91552     -133.6634     
     10000  -71773.033     -3112.3732     -73533.067     -3188.6956      295.37522      295.37522      40435.175      40435.175      470.144        476.37341    
Loop time of 185.164 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.467 ns/day, 51.434 hours/ns, 5.401 timesteps/s
81.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 165.78     | 165.78     | 165.78     |   0.0 | 89.53
Neigh   | 1.392      | 1.392      | 1.392      |   0.0 |  0.75
Comm    | 0.05579    | 0.05579    | 0.05579    |   0.0 |  0.03
Output  | 5.1176e-05 | 5.1176e-05 | 5.1176e-05 |   0.0 |  0.00
Modify  | 17.917     | 17.917     | 17.917     |   0.0 |  9.68
Other   |            | 0.02226    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7813 ave        7813 max        7813 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462297 ave      462297 max      462297 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462297
Ave neighs/atom = 231.1485
Neighbor list builds = 19
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.564668832093, Press = 1.44292278666644
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     10000  -71773.033     -3112.3732     -73533.067     -3188.6956      295.37522      295.37522      40435.175      40435.175      470.144        476.37341    
     11000  -71845.497     -3115.5156     -73568.182     -3190.2183      289.1072       289.1072       40651.345      40651.345     -644.05428     -652.588      
Loop time of 175.649 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.492 ns/day, 48.791 hours/ns, 5.693 timesteps/s
86.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 157.55     | 157.55     | 157.55     |   0.0 | 89.69
Neigh   | 1.2326     | 1.2326     | 1.2326     |   0.0 |  0.70
Comm    | 0.035162   | 0.035162   | 0.035162   |   0.0 |  0.02
Output  | 8.2255e-05 | 8.2255e-05 | 8.2255e-05 |   0.0 |  0.00
Modify  | 16.822     | 16.822     | 16.822     |   0.0 |  9.58
Other   |            | 0.01133    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7705 ave        7705 max        7705 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459646 ave      459646 max      459646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459646
Ave neighs/atom = 229.823
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.112140337736, Press = -3.50648698132126
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     11000  -71845.497     -3115.5156     -73568.182     -3190.2183      289.1072       289.1072       40651.345      40651.345     -644.05428     -652.588      
     12000  -71765.183     -3112.0329     -73488.161     -3186.7482      289.15625      289.15625      40409.287      40409.287      340.18089      344.68828    
Loop time of 176.062 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.491 ns/day, 48.906 hours/ns, 5.680 timesteps/s
87.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 157.92     | 157.92     | 157.92     |   0.0 | 89.70
Neigh   | 1.286      | 1.286      | 1.286      |   0.0 |  0.73
Comm    | 0.035184   | 0.035184   | 0.035184   |   0.0 |  0.02
Output  | 5.2258e-05 | 5.2258e-05 | 5.2258e-05 |   0.0 |  0.00
Modify  | 16.81      | 16.81      | 16.81      |   0.0 |  9.55
Other   |            | 0.01123    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7883 ave        7883 max        7883 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         463606 ave      463606 max      463606 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 463606
Ave neighs/atom = 231.803
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.158801840997, Press = 10.2244044359258
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     12000  -71765.183     -3112.0329     -73488.161     -3186.7482      289.15625      289.15625      40409.287      40409.287      340.18089      344.68828    
     13000  -71765.523     -3112.0476     -73534.566     -3188.7606      296.88703      296.88703      40501.378      40501.378      56.597793      57.347714    
Loop time of 171.33 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.504 ns/day, 47.592 hours/ns, 5.837 timesteps/s
89.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 153.43     | 153.43     | 153.43     |   0.0 | 89.55
Neigh   | 1.3928     | 1.3928     | 1.3928     |   0.0 |  0.81
Comm    | 0.035191   | 0.035191   | 0.035191   |   0.0 |  0.02
Output  | 6.1635e-05 | 6.1635e-05 | 6.1635e-05 |   0.0 |  0.00
Modify  | 16.458     | 16.458     | 16.458     |   0.0 |  9.61
Other   |            | 0.01145    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7728 ave        7728 max        7728 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460833 ave      460833 max      460833 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460833
Ave neighs/atom = 230.4165
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.360808660611, Press = -3.17592569129114
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     13000  -71765.523     -3112.0476     -73534.566     -3188.7606      296.88703      296.88703      40501.378      40501.378      56.597793      57.347714    
     14000  -71731.639     -3110.5783     -73463.144     -3185.6634      290.58719      290.58719      40529.128      40529.128     -183.56055     -185.99273    
Loop time of 164.324 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.526 ns/day, 45.645 hours/ns, 6.086 timesteps/s
96.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 147.05     | 147.05     | 147.05     |   0.0 | 89.49
Neigh   | 1.2897     | 1.2897     | 1.2897     |   0.0 |  0.78
Comm    | 0.036181   | 0.036181   | 0.036181   |   0.0 |  0.02
Output  | 5.5194e-05 | 5.5194e-05 | 5.5194e-05 |   0.0 |  0.00
Modify  | 15.941     | 15.941     | 15.941     |   0.0 |  9.70
Other   |            | 0.01126    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7738 ave        7738 max        7738 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460986 ave      460986 max      460986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460986
Ave neighs/atom = 230.493
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.323071327655, Press = 2.35496069675596
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     14000  -71731.639     -3110.5783     -73463.144     -3185.6634      290.58719      290.58719      40529.128      40529.128     -183.56055     -185.99273    
     15000  -71867.75      -3116.4806     -73551.578     -3189.4983      282.58601      282.58601      40511.384      40511.384     -39.810807     -40.338301    
Loop time of 177.15 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.488 ns/day, 49.208 hours/ns, 5.645 timesteps/s
91.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 158.27     | 158.27     | 158.27     |   0.0 | 89.34
Neigh   | 1.5808     | 1.5808     | 1.5808     |   0.0 |  0.89
Comm    | 0.037294   | 0.037294   | 0.037294   |   0.0 |  0.02
Output  | 6.2297e-05 | 6.2297e-05 | 6.2297e-05 |   0.0 |  0.00
Modify  | 17.25      | 17.25      | 17.25      |   0.0 |  9.74
Other   |            | 0.01139    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7714 ave        7714 max        7714 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459939 ave      459939 max      459939 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459939
Ave neighs/atom = 229.9695
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.223889744846, Press = 0.324101286330314
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     15000  -71867.75      -3116.4806     -73551.578     -3189.4983      282.58601      282.58601      40511.384      40511.384     -39.810807     -40.338301    
     16000  -71730.856     -3110.5443     -73458.276     -3185.4523      289.9016       289.9016       40579.206      40579.206     -283.65155     -287.40993    
Loop time of 170.53 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.507 ns/day, 47.370 hours/ns, 5.864 timesteps/s
99.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 153.28     | 153.28     | 153.28     |   0.0 | 89.89
Neigh   | 1.3849     | 1.3849     | 1.3849     |   0.0 |  0.81
Comm    | 0.039182   | 0.039182   | 0.039182   |   0.0 |  0.02
Output  | 6.7868e-05 | 6.7868e-05 | 6.7868e-05 |   0.0 |  0.00
Modify  | 15.81      | 15.81      | 15.81      |   0.0 |  9.27
Other   |            | 0.0121     |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7735 ave        7735 max        7735 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460513 ave      460513 max      460513 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460513
Ave neighs/atom = 230.2565
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.146700225745, Press = 2.90577274503991
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     16000  -71730.856     -3110.5443     -73458.276     -3185.4523      289.9016       289.9016       40579.206      40579.206     -283.65155     -287.40993    
     17000  -71817.093     -3114.2839     -73534.785     -3188.77        288.26916      288.26916      40291.437      40291.437      922.0826       934.3002     
Loop time of 156.01 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.554 ns/day, 43.336 hours/ns, 6.410 timesteps/s
99.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 140.2      | 140.2      | 140.2      |   0.0 | 89.86
Neigh   | 1.2064     | 1.2064     | 1.2064     |   0.0 |  0.77
Comm    | 0.035883   | 0.035883   | 0.035883   |   0.0 |  0.02
Output  | 5.4192e-05 | 5.4192e-05 | 5.4192e-05 |   0.0 |  0.00
Modify  | 14.558     | 14.558     | 14.558     |   0.0 |  9.33
Other   |            | 0.01199    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7796 ave        7796 max        7796 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462713 ave      462713 max      462713 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462713
Ave neighs/atom = 231.3565
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.078159592375, Press = 0.617956787351692
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     17000  -71817.093     -3114.2839     -73534.785     -3188.77        288.26916      288.26916      40291.437      40291.437      922.0826       934.3002     
     18000  -71742.518     -3111.05       -73482.58      -3186.5062      292.02326      292.02326      40691.267      40691.267     -823.15805     -834.0649     
Loop time of 146.414 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.590 ns/day, 40.671 hours/ns, 6.830 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    | 130.94     | 130.94     | 130.94     |   0.0 | 89.43
Neigh   | 1.2417     | 1.2417     | 1.2417     |   0.0 |  0.85
Comm    | 0.033322   | 0.033322   | 0.033322   |   0.0 |  0.02
Output  | 5.7307e-05 | 5.7307e-05 | 5.7307e-05 |   0.0 |  0.00
Modify  | 14.186     | 14.186     | 14.186     |   0.0 |  9.69
Other   |            | 0.01059    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7645 ave        7645 max        7645 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459474 ave      459474 max      459474 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459474
Ave neighs/atom = 229.737
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.139117729973, Press = 0.117367169333011
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     18000  -71742.518     -3111.05       -73482.58      -3186.5062      292.02326      292.02326      40691.267      40691.267     -823.15805     -834.0649     
     19000  -71794.065     -3113.2853     -73506.838     -3187.5582      287.4436       287.4436       40426.344      40426.344      298.88351      302.84371    
Loop time of 144.765 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.597 ns/day, 40.213 hours/ns, 6.908 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    | 129.38     | 129.38     | 129.38     |   0.0 | 89.37
Neigh   | 1.1808     | 1.1808     | 1.1808     |   0.0 |  0.82
Comm    | 0.033189   | 0.033189   | 0.033189   |   0.0 |  0.02
Output  | 6.0544e-05 | 6.0544e-05 | 6.0544e-05 |   0.0 |  0.00
Modify  | 14.165     | 14.165     | 14.165     |   0.0 |  9.78
Other   |            | 0.01023    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7758 ave        7758 max        7758 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461874 ave      461874 max      461874 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461874
Ave neighs/atom = 230.937
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.302332819562, Press = 1.77298591241101
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     19000  -71794.065     -3113.2853     -73506.838     -3187.5582      287.4436       287.4436       40426.344      40426.344      298.88351      302.84371    
     20000  -71737.276     -3110.8227     -73541.32      -3189.0534      302.7611       302.7611       40534.883      40534.883      97.785888      99.081551    
Loop time of 144.853 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.596 ns/day, 40.237 hours/ns, 6.904 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    | 129.41     | 129.41     | 129.41     |   0.0 | 89.34
Neigh   | 1.2403     | 1.2403     | 1.2403     |   0.0 |  0.86
Comm    | 0.033213   | 0.033213   | 0.033213   |   0.0 |  0.02
Output  | 5.3971e-05 | 5.3971e-05 | 5.3971e-05 |   0.0 |  0.00
Modify  | 14.156     | 14.156     | 14.156     |   0.0 |  9.77
Other   |            | 0.01019    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7707 ave        7707 max        7707 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460595 ave      460595 max      460595 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460595
Ave neighs/atom = 230.2975
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.529221422685, Press = 1.18978164912846
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     20000  -71737.276     -3110.8227     -73541.32      -3189.0534      302.7611       302.7611       40534.883      40534.883      97.785888      99.081551    
     21000  -71802.3       -3113.6424     -73524.497     -3188.3239      289.02525      289.02525      40465.164      40465.164      124.7948       126.44833    
Loop time of 144.724 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.597 ns/day, 40.201 hours/ns, 6.910 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    | 129.35     | 129.35     | 129.35     |   0.0 | 89.38
Neigh   | 1.1797     | 1.1797     | 1.1797     |   0.0 |  0.82
Comm    | 0.03305    | 0.03305    | 0.03305    |   0.0 |  0.02
Output  | 6.0233e-05 | 6.0233e-05 | 6.0233e-05 |   0.0 |  0.00
Modify  | 14.151     | 14.151     | 14.151     |   0.0 |  9.78
Other   |            | 0.01021    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7709 ave        7709 max        7709 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461379 ave      461379 max      461379 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461379
Ave neighs/atom = 230.6895
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.630692783914, Press = 1.06073476189988
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     21000  -71802.3       -3113.6424     -73524.497     -3188.3239      289.02525      289.02525      40465.164      40465.164      124.7948       126.44833    
     22000  -71754.487     -3111.569      -73492.221     -3186.9243      291.63263      291.63263      40633.613      40633.613     -489.0891      -495.56953    
Loop time of 144.646 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.597 ns/day, 40.180 hours/ns, 6.913 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    | 129.28     | 129.28     | 129.28     |   0.0 | 89.38
Neigh   | 1.1798     | 1.1798     | 1.1798     |   0.0 |  0.82
Comm    | 0.033073   | 0.033073   | 0.033073   |   0.0 |  0.02
Output  | 4.3692e-05 | 4.3692e-05 | 4.3692e-05 |   0.0 |  0.00
Modify  | 14.143     | 14.143     | 14.143     |   0.0 |  9.78
Other   |            | 0.0102     |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7675 ave        7675 max        7675 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459965 ave      459965 max      459965 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459965
Ave neighs/atom = 229.9825
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.707444361127, Press = 0.827992724333982
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     22000  -71754.487     -3111.569      -73492.221     -3186.9243      291.63263      291.63263      40633.613      40633.613     -489.0891      -495.56953    
     23000  -71772.469     -3112.3488     -73501.143     -3187.3112      290.11215      290.11215      40375.345      40375.345      534.31929      541.39902    
Loop time of 144.426 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.118 hours/ns, 6.924 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    | 129.07     | 129.07     | 129.07     |   0.0 | 89.36
Neigh   | 1.1811     | 1.1811     | 1.1811     |   0.0 |  0.82
Comm    | 0.03317    | 0.03317    | 0.03317    |   0.0 |  0.02
Output  | 5.847e-05  | 5.847e-05  | 5.847e-05  |   0.0 |  0.00
Modify  | 14.136     | 14.136     | 14.136     |   0.0 |  9.79
Other   |            | 0.01023    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7804 ave        7804 max        7804 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461837 ave      461837 max      461837 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461837
Ave neighs/atom = 230.9185
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.589948790732, Press = 2.35593259461005
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     23000  -71772.469     -3112.3488     -73501.143     -3187.3112      290.11215      290.11215      40375.345      40375.345      534.31929      541.39902    
     24000  -71810.482     -3113.9972     -73502.857     -3187.3855      284.02033      284.02033      40548.303      40548.303     -63.82723      -64.672941    
Loop time of 144.573 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.159 hours/ns, 6.917 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    | 129.14     | 129.14     | 129.14     |   0.0 | 89.33
Neigh   | 1.2358     | 1.2358     | 1.2358     |   0.0 |  0.85
Comm    | 0.033129   | 0.033129   | 0.033129   |   0.0 |  0.02
Output  | 5.7709e-05 | 5.7709e-05 | 5.7709e-05 |   0.0 |  0.00
Modify  | 14.15      | 14.15      | 14.15      |   0.0 |  9.79
Other   |            | 0.01018    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7678 ave        7678 max        7678 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460416 ave      460416 max      460416 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460416
Ave neighs/atom = 230.208
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.591144709463, Press = -1.77826828444878
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     24000  -71810.482     -3113.9972     -73502.857     -3187.3855      284.02033      284.02033      40548.303      40548.303     -63.82723      -64.672941    
     25000  -71822.954     -3114.538      -73565.508     -3190.1023      292.44154      292.44154      40569.504      40569.504     -160.79812     -162.92869    
Loop time of 144.634 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.597 ns/day, 40.176 hours/ns, 6.914 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    | 129.27     | 129.27     | 129.27     |   0.0 | 89.37
Neigh   | 1.1834     | 1.1834     | 1.1834     |   0.0 |  0.82
Comm    | 0.033091   | 0.033091   | 0.033091   |   0.0 |  0.02
Output  | 5.7498e-05 | 5.7498e-05 | 5.7498e-05 |   0.0 |  0.00
Modify  | 14.142     | 14.142     | 14.142     |   0.0 |  9.78
Other   |            | 0.01033    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7731 ave        7731 max        7731 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460703 ave      460703 max      460703 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460703
Ave neighs/atom = 230.3515
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.535535942938, Press = 1.40674211312337
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     25000  -71822.954     -3114.538      -73565.508     -3190.1023      292.44154      292.44154      40569.504      40569.504     -160.79812     -162.92869    
     26000  -71757.234     -3111.6882     -73579.531     -3190.7104      305.82427      305.82427      40472.885      40472.885      347.48174      352.08587    
Loop time of 144.727 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.597 ns/day, 40.202 hours/ns, 6.910 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    | 129.36     | 129.36     | 129.36     |   0.0 | 89.38
Neigh   | 1.1827     | 1.1827     | 1.1827     |   0.0 |  0.82
Comm    | 0.033135   | 0.033135   | 0.033135   |   0.0 |  0.02
Output  | 5.7207e-05 | 5.7207e-05 | 5.7207e-05 |   0.0 |  0.00
Modify  | 14.145     | 14.145     | 14.145     |   0.0 |  9.77
Other   |            | 0.01033    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7775 ave        7775 max        7775 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461239 ave      461239 max      461239 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461239
Ave neighs/atom = 230.6195
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.618951176138, Press = 0.211640349771462
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     26000  -71757.234     -3111.6882     -73579.531     -3190.7104      305.82427      305.82427      40472.885      40472.885      347.48174      352.08587    
     27000  -71777.581     -3112.5705     -73518.578     -3188.0673      292.18033      292.18033      40618.361      40618.361     -477.24861     -483.57216    
Loop time of 144.576 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.160 hours/ns, 6.917 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    | 129.21     | 129.21     | 129.21     |   0.0 | 89.37
Neigh   | 1.1773     | 1.1773     | 1.1773     |   0.0 |  0.81
Comm    | 0.033057   | 0.033057   | 0.033057   |   0.0 |  0.02
Output  | 4.3451e-05 | 4.3451e-05 | 4.3451e-05 |   0.0 |  0.00
Modify  | 14.144     | 14.144     | 14.144     |   0.0 |  9.78
Other   |            | 0.01039    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7736 ave        7736 max        7736 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460621 ave      460621 max      460621 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460621
Ave neighs/atom = 230.3105
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.589001962989, Press = 0.556823510076686
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     27000  -71777.581     -3112.5705     -73518.578     -3188.0673      292.18033      292.18033      40618.361      40618.361     -477.24861     -483.57216    
     28000  -71760.627     -3111.8353     -73496.719     -3187.1194      291.35718      291.35718      40474.606      40474.606      78.765038      79.808675    
Loop time of 144.815 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.597 ns/day, 40.226 hours/ns, 6.905 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    | 129.41     | 129.41     | 129.41     |   0.0 | 89.36
Neigh   | 1.182      | 1.182      | 1.182      |   0.0 |  0.82
Comm    | 0.033193   | 0.033193   | 0.033193   |   0.0 |  0.02
Output  | 5.1086e-05 | 5.1086e-05 | 5.1086e-05 |   0.0 |  0.00
Modify  | 14.179     | 14.179     | 14.179     |   0.0 |  9.79
Other   |            | 0.01042    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7847 ave        7847 max        7847 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462048 ave      462048 max      462048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462048
Ave neighs/atom = 231.024
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.644129849224, Press = 0.691049808646299
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     28000  -71760.627     -3111.8353     -73496.719     -3187.1194      291.35718      291.35718      40474.606      40474.606      78.765038      79.808675    
     29000  -71877.046     -3116.8837     -73561.638     -3189.9345      282.71424      282.71424      40547.661      40547.661     -63.65507      -64.4985      
Loop time of 144.515 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.143 hours/ns, 6.920 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    | 129.15     | 129.15     | 129.15     |   0.0 | 89.37
Neigh   | 1.1797     | 1.1797     | 1.1797     |   0.0 |  0.82
Comm    | 0.033101   | 0.033101   | 0.033101   |   0.0 |  0.02
Output  | 5.7198e-05 | 5.7198e-05 | 5.7198e-05 |   0.0 |  0.00
Modify  | 14.142     | 14.142     | 14.142     |   0.0 |  9.79
Other   |            | 0.01039    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7758 ave        7758 max        7758 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460608 ave      460608 max      460608 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460608
Ave neighs/atom = 230.304
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.593187970304, Press = 0.0689234110542362
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     29000  -71877.046     -3116.8837     -73561.638     -3189.9345      282.71424      282.71424      40547.661      40547.661     -63.65507      -64.4985      
     30000  -71747.059     -3111.2469     -73489.737     -3186.8166      292.46232      292.46232      40480.6        40480.6        111.92269      113.40566    
Loop time of 144.381 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.106 hours/ns, 6.926 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    | 129.06     | 129.06     | 129.06     |   0.0 | 89.39
Neigh   | 1.1199     | 1.1199     | 1.1199     |   0.0 |  0.78
Comm    | 0.032901   | 0.032901   | 0.032901   |   0.0 |  0.02
Output  | 5.5745e-05 | 5.5745e-05 | 5.5745e-05 |   0.0 |  0.00
Modify  | 14.158     | 14.158     | 14.158     |   0.0 |  9.81
Other   |            | 0.01032    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7800 ave        7800 max        7800 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461963 ave      461963 max      461963 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461963
Ave neighs/atom = 230.9815
Neighbor list builds = 19
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.58919683293, Press = 0.883570314790534
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     30000  -71747.059     -3111.2469     -73489.737     -3186.8166      292.46232      292.46232      40480.6        40480.6        111.92269      113.40566    
     31000  -71822.89      -3114.5352     -73521.201     -3188.181       285.0167       285.0167       40536.439      40536.439     -68.799148     -69.710736    
Loop time of 144.272 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.076 hours/ns, 6.931 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    | 128.89     | 128.89     | 128.89     |   0.0 | 89.34
Neigh   | 1.2356     | 1.2356     | 1.2356     |   0.0 |  0.86
Comm    | 0.03334    | 0.03334    | 0.03334    |   0.0 |  0.02
Output  | 5.9121e-05 | 5.9121e-05 | 5.9121e-05 |   0.0 |  0.00
Modify  | 14.102     | 14.102     | 14.102     |   0.0 |  9.77
Other   |            | 0.01038    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7742 ave        7742 max        7742 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460733 ave      460733 max      460733 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460733
Ave neighs/atom = 230.3665
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.568812384969, Press = -0.895912210678591
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     31000  -71822.89      -3114.5352     -73521.201     -3188.181       285.0167       285.0167       40536.439      40536.439     -68.799148     -69.710736    
     32000  -71727.563     -3110.4015     -73513.389     -3187.8423      299.70376      299.70376      40613.247      40613.247     -373.63283     -378.58346    
Loop time of 144.569 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.158 hours/ns, 6.917 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    | 129.14     | 129.14     | 129.14     |   0.0 | 89.33
Neigh   | 1.2372     | 1.2372     | 1.2372     |   0.0 |  0.86
Comm    | 0.033278   | 0.033278   | 0.033278   |   0.0 |  0.02
Output  | 4.3702e-05 | 4.3702e-05 | 4.3702e-05 |   0.0 |  0.00
Modify  | 14.15      | 14.15      | 14.15      |   0.0 |  9.79
Other   |            | 0.01031    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7695 ave        7695 max        7695 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460403 ave      460403 max      460403 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460403
Ave neighs/atom = 230.2015
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.633751512683, Press = 2.01281657561831
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     32000  -71727.563     -3110.4015     -73513.389     -3187.8423      299.70376      299.70376      40613.247      40613.247     -373.63283     -378.58346    
     33000  -71773.824     -3112.4076     -73499.588     -3187.2438      289.62379      289.62379      40402.048      40402.048      540.40755      547.56795    
Loop time of 144.184 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.051 hours/ns, 6.936 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    | 128.86     | 128.86     | 128.86     |   0.0 | 89.37
Neigh   | 1.1756     | 1.1756     | 1.1756     |   0.0 |  0.82
Comm    | 0.033054   | 0.033054   | 0.033054   |   0.0 |  0.02
Output  | 5.0905e-05 | 5.0905e-05 | 5.0905e-05 |   0.0 |  0.00
Modify  | 14.1       | 14.1       | 14.1       |   0.0 |  9.78
Other   |            | 0.01038    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7783 ave        7783 max        7783 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461524 ave      461524 max      461524 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461524
Ave neighs/atom = 230.762
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.63388325668, Press = -0.580331815049282
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     33000  -71773.824     -3112.4076     -73499.588     -3187.2438      289.62379      289.62379      40402.048      40402.048      540.40755      547.56795    
     34000  -71752.802     -3111.496      -73528.304     -3188.489       297.97104      297.97104      40614.71       40614.71      -233.7434      -236.8405     
Loop time of 144.566 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.157 hours/ns, 6.917 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    | 129.22     | 129.22     | 129.22     |   0.0 | 89.38
Neigh   | 1.18       | 1.18       | 1.18       |   0.0 |  0.82
Comm    | 0.033126   | 0.033126   | 0.033126   |   0.0 |  0.02
Output  | 5.2378e-05 | 5.2378e-05 | 5.2378e-05 |   0.0 |  0.00
Modify  | 14.125     | 14.125     | 14.125     |   0.0 |  9.77
Other   |            | 0.0104     |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7734 ave        7734 max        7734 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460252 ave      460252 max      460252 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460252
Ave neighs/atom = 230.126
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.740070519309, Press = 0.24355011349579
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     34000  -71752.802     -3111.496      -73528.304     -3188.489       297.97104      297.97104      40614.71       40614.71      -233.7434      -236.8405     
     35000  -71713.189     -3109.7782     -73447.292     -3184.976       291.02328      291.02328      40424.128      40424.128      353.76153      358.44887    
Loop time of 144.543 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.151 hours/ns, 6.918 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    | 129.12     | 129.12     | 129.12     |   0.0 | 89.33
Neigh   | 1.238      | 1.238      | 1.238      |   0.0 |  0.86
Comm    | 0.033144   | 0.033144   | 0.033144   |   0.0 |  0.02
Output  | 5.4162e-05 | 5.4162e-05 | 5.4162e-05 |   0.0 |  0.00
Modify  | 14.139     | 14.139     | 14.139     |   0.0 |  9.78
Other   |            | 0.01028    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7789 ave        7789 max        7789 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462235 ave      462235 max      462235 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462235
Ave neighs/atom = 231.1175
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.769231395456, Press = 0.99794221594797
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     35000  -71713.189     -3109.7782     -73447.292     -3184.976       291.02328      291.02328      40424.128      40424.128      353.76153      358.44887    
     36000  -71780.805     -3112.7103     -73519.299     -3188.0985      291.76024      291.76024      40565.833      40565.833     -260.19915     -263.64679    
Loop time of 144.312 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.087 hours/ns, 6.929 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    | 128.96     | 128.96     | 128.96     |   0.0 | 89.36
Neigh   | 1.1776     | 1.1776     | 1.1776     |   0.0 |  0.82
Comm    | 0.033074   | 0.033074   | 0.033074   |   0.0 |  0.02
Output  | 0.00015159 | 0.00015159 | 0.00015159 |   0.0 |  0.00
Modify  | 14.127     | 14.127     | 14.127     |   0.0 |  9.79
Other   |            | 0.01032    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7666 ave        7666 max        7666 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459834 ave      459834 max      459834 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459834
Ave neighs/atom = 229.917
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.790818779981, Press = -1.5565700159546
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     36000  -71780.805     -3112.7103     -73519.299     -3188.0985      291.76024      291.76024      40565.833      40565.833     -260.19915     -263.64679    
     37000  -71735.265     -3110.7355     -73570.831     -3190.3332      308.05115      308.05115      40533.964      40533.964      66.10102       66.976858    
Loop time of 145.011 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.596 ns/day, 40.281 hours/ns, 6.896 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    | 129.51     | 129.51     | 129.51     |   0.0 | 89.31
Neigh   | 1.297      | 1.297      | 1.297      |   0.0 |  0.89
Comm    | 0.033379   | 0.033379   | 0.033379   |   0.0 |  0.02
Output  | 4.4413e-05 | 4.4413e-05 | 4.4413e-05 |   0.0 |  0.00
Modify  | 14.159     | 14.159     | 14.159     |   0.0 |  9.76
Other   |            | 0.01036    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7838 ave        7838 max        7838 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461769 ave      461769 max      461769 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461769
Ave neighs/atom = 230.8845
Neighbor list builds = 22
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.798368776118, Press = 2.26589036263842
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     37000  -71735.265     -3110.7355     -73570.831     -3190.3332      308.05115      308.05115      40533.964      40533.964      66.10102       66.976858    
     38000  -71819.199     -3114.3752     -73530.505     -3188.5844      287.19743      287.19743      40440.063      40440.063      216.96861      219.84345    
Loop time of 144.567 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.157 hours/ns, 6.917 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    | 129.15     | 129.15     | 129.15     |   0.0 | 89.33
Neigh   | 1.2374     | 1.2374     | 1.2374     |   0.0 |  0.86
Comm    | 0.033202   | 0.033202   | 0.033202   |   0.0 |  0.02
Output  | 5.5965e-05 | 5.5965e-05 | 5.5965e-05 |   0.0 |  0.00
Modify  | 14.14      | 14.14      | 14.14      |   0.0 |  9.78
Other   |            | 0.01036    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7807 ave        7807 max        7807 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461309 ave      461309 max      461309 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461309
Ave neighs/atom = 230.6545
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.772773313731, Press = -0.0740562338557701
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     38000  -71819.199     -3114.3752     -73530.505     -3188.5844      287.19743      287.19743      40440.063      40440.063      216.96861      219.84345    
     39000  -71751.114     -3111.4228     -73448.181     -3185.0145      284.80771      284.80771      40553.241      40553.241     -322.94803     -327.22709    
Loop time of 144.49 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.136 hours/ns, 6.921 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    | 129.12     | 129.12     | 129.12     |   0.0 | 89.36
Neigh   | 1.1811     | 1.1811     | 1.1811     |   0.0 |  0.82
Comm    | 0.033165   | 0.033165   | 0.033165   |   0.0 |  0.02
Output  | 5.2519e-05 | 5.2519e-05 | 5.2519e-05 |   0.0 |  0.00
Modify  | 14.144     | 14.144     | 14.144     |   0.0 |  9.79
Other   |            | 0.01039    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7732 ave        7732 max        7732 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460619 ave      460619 max      460619 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460619
Ave neighs/atom = 230.3095
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.738168912692, Press = 0.146957133252497
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     39000  -71751.114     -3111.4228     -73448.181     -3185.0145      284.80771      284.80771      40553.241      40553.241     -322.94803     -327.22709    
     40000  -71895.924     -3117.7023     -73603.704     -3191.7586      286.60565      286.60565      40536.561      40536.561     -47.519653     -48.149288    
Loop time of 144.455 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.126 hours/ns, 6.923 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    | 129.1      | 129.1      | 129.1      |   0.0 | 89.37
Neigh   | 1.1791     | 1.1791     | 1.1791     |   0.0 |  0.82
Comm    | 0.033146   | 0.033146   | 0.033146   |   0.0 |  0.02
Output  | 5.3631e-05 | 5.3631e-05 | 5.3631e-05 |   0.0 |  0.00
Modify  | 14.135     | 14.135     | 14.135     |   0.0 |  9.79
Other   |            | 0.01034    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7730 ave        7730 max        7730 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460324 ave      460324 max      460324 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460324
Ave neighs/atom = 230.162
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.71073963689, Press = 0.223070161968278
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     40000  -71895.924     -3117.7023     -73603.704     -3191.7586      286.60565      286.60565      40536.561      40536.561     -47.519653     -48.149288    
     41000  -71744.593     -3111.14       -73473.061     -3186.0934      290.07753      290.07753      40505.685      40505.685     -77.590733     -78.61881     
Loop time of 144.412 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.114 hours/ns, 6.925 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    | 129        | 129        | 129        |   0.0 | 89.33
Neigh   | 1.2361     | 1.2361     | 1.2361     |   0.0 |  0.86
Comm    | 0.033537   | 0.033537   | 0.033537   |   0.0 |  0.02
Output  | 5.5946e-05 | 5.5946e-05 | 5.5946e-05 |   0.0 |  0.00
Modify  | 14.129     | 14.129     | 14.129     |   0.0 |  9.78
Other   |            | 0.0104     |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7710 ave        7710 max        7710 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461415 ave      461415 max      461415 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461415
Ave neighs/atom = 230.7075
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.673111678708, Press = 0.898030838864785
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     41000  -71744.593     -3111.14       -73473.061     -3186.0934      290.07753      290.07753      40505.685      40505.685     -77.590733     -78.61881     
     42000  -71827.919     -3114.7533     -73547.659     -3189.3283      288.61285      288.61285      40470.582      40470.582      207.65606      210.4075     
Loop time of 144.158 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.044 hours/ns, 6.937 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    | 128.81     | 128.81     | 128.81     |   0.0 | 89.35
Neigh   | 1.176      | 1.176      | 1.176      |   0.0 |  0.82
Comm    | 0.033007   | 0.033007   | 0.033007   |   0.0 |  0.02
Output  | 4.2239e-05 | 4.2239e-05 | 4.2239e-05 |   0.0 |  0.00
Modify  | 14.126     | 14.126     | 14.126     |   0.0 |  9.80
Other   |            | 0.01034    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7721 ave        7721 max        7721 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460333 ave      460333 max      460333 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460333
Ave neighs/atom = 230.1665
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.652385924436, Press = -0.456226721209271
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     42000  -71827.919     -3114.7533     -73547.659     -3189.3283      288.61285      288.61285      40470.582      40470.582      207.65606      210.4075     
     43000  -71736.643     -3110.7953     -73485.371     -3186.6273      293.47764      293.47764      40616.513      40616.513     -623.289       -631.54758    
Loop time of 144.817 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.597 ns/day, 40.227 hours/ns, 6.905 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    | 129.39     | 129.39     | 129.39     |   0.0 | 89.34
Neigh   | 1.2389     | 1.2389     | 1.2389     |   0.0 |  0.86
Comm    | 0.033321   | 0.033321   | 0.033321   |   0.0 |  0.02
Output  | 5.0625e-05 | 5.0625e-05 | 5.0625e-05 |   0.0 |  0.00
Modify  | 14.149     | 14.149     | 14.149     |   0.0 |  9.77
Other   |            | 0.01036    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7755 ave        7755 max        7755 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460425 ave      460425 max      460425 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460425
Ave neighs/atom = 230.2125
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.673996132158, Press = 1.19784098905103
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     43000  -71736.643     -3110.7953     -73485.371     -3186.6273      293.47764      293.47764      40616.513      40616.513     -623.289       -631.54758    
     44000  -71777.44      -3112.5644     -73534.262     -3188.7474      294.83603      294.83603      40304.591      40304.591      931.63263      943.97677    
Loop time of 144.839 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.597 ns/day, 40.233 hours/ns, 6.904 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    | 129.42     | 129.42     | 129.42     |   0.0 | 89.35
Neigh   | 1.239      | 1.239      | 1.239      |   0.0 |  0.86
Comm    | 0.033232   | 0.033232   | 0.033232   |   0.0 |  0.02
Output  | 5.6185e-05 | 5.6185e-05 | 5.6185e-05 |   0.0 |  0.00
Modify  | 14.136     | 14.136     | 14.136     |   0.0 |  9.76
Other   |            | 0.01028    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7787 ave        7787 max        7787 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462256 ave      462256 max      462256 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462256
Ave neighs/atom = 231.128
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.720836404583, Press = -0.601495793381174
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     44000  -71777.44      -3112.5644     -73534.262     -3188.7474      294.83603      294.83603      40304.591      40304.591      931.63263      943.97677    
     45000  -71801.957     -3113.6275     -73522.715     -3188.2467      288.78386      288.78386      40619.429      40619.429     -583.33473     -591.06392    
Loop time of 144.99 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.596 ns/day, 40.275 hours/ns, 6.897 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    | 129.55     | 129.55     | 129.55     |   0.0 | 89.35
Neigh   | 1.2374     | 1.2374     | 1.2374     |   0.0 |  0.85
Comm    | 0.033218   | 0.033218   | 0.033218   |   0.0 |  0.02
Output  | 5.0815e-05 | 5.0815e-05 | 5.0815e-05 |   0.0 |  0.00
Modify  | 14.162     | 14.162     | 14.162     |   0.0 |  9.77
Other   |            | 0.01032    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7641 ave        7641 max        7641 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460075 ave      460075 max      460075 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460075
Ave neighs/atom = 230.0375
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.777966469055, Press = 0.407885159907076
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     45000  -71801.957     -3113.6275     -73522.715     -3188.2467      288.78386      288.78386      40619.429      40619.429     -583.33473     -591.06392    
     46000  -71782.559     -3112.7863     -73487.179     -3186.7057      286.07539      286.07539      40461.844      40461.844      10.283707      10.419966    
Loop time of 144.941 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.596 ns/day, 40.261 hours/ns, 6.899 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    | 129.47     | 129.47     | 129.47     |   0.0 | 89.33
Neigh   | 1.2404     | 1.2404     | 1.2404     |   0.0 |  0.86
Comm    | 0.033183   | 0.033183   | 0.033183   |   0.0 |  0.02
Output  | 4.9543e-05 | 4.9543e-05 | 4.9543e-05 |   0.0 |  0.00
Modify  | 14.188     | 14.188     | 14.188     |   0.0 |  9.79
Other   |            | 0.01034    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7762 ave        7762 max        7762 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461604 ave      461604 max      461604 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461604
Ave neighs/atom = 230.802
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.784711676793, Press = 0.285712505996742
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     46000  -71782.559     -3112.7863     -73487.179     -3186.7057      286.07539      286.07539      40461.844      40461.844      10.283707      10.419966    
     47000  -71873.093     -3116.7123     -73536.653     -3188.8511      279.18446      279.18446      40517.471      40517.471     -75.015074     -76.009024    
Loop time of 144.733 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.597 ns/day, 40.204 hours/ns, 6.909 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    | 129.34     | 129.34     | 129.34     |   0.0 | 89.37
Neigh   | 1.1825     | 1.1825     | 1.1825     |   0.0 |  0.82
Comm    | 0.033126   | 0.033126   | 0.033126   |   0.0 |  0.02
Output  | 4.3182e-05 | 4.3182e-05 | 4.3182e-05 |   0.0 |  0.00
Modify  | 14.163     | 14.163     | 14.163     |   0.0 |  9.79
Other   |            | 0.01049    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7724 ave        7724 max        7724 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460969 ave      460969 max      460969 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460969
Ave neighs/atom = 230.4845
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.789921562802, Press = -0.328297191801261
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     47000  -71873.093     -3116.7123     -73536.653     -3188.8511      279.18446      279.18446      40517.471      40517.471     -75.015074     -76.009024    
     48000  -71754.916     -3111.5876     -73524.14      -3188.3084      296.91739      296.91739      40597.836      40597.836     -311.27409     -315.39847    
Loop time of 144.568 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.158 hours/ns, 6.917 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    | 129.2      | 129.2      | 129.2      |   0.0 | 89.37
Neigh   | 1.1815     | 1.1815     | 1.1815     |   0.0 |  0.82
Comm    | 0.033115   | 0.033115   | 0.033115   |   0.0 |  0.02
Output  | 5.2599e-05 | 5.2599e-05 | 5.2599e-05 |   0.0 |  0.00
Modify  | 14.144     | 14.144     | 14.144     |   0.0 |  9.78
Other   |            | 0.01045    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7762 ave        7762 max        7762 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461772 ave      461772 max      461772 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461772
Ave neighs/atom = 230.886
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.749108392649, Press = 0.690102341381687
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     48000  -71754.916     -3111.5876     -73524.14      -3188.3084      296.91739      296.91739      40597.836      40597.836     -311.27409     -315.39847    
     49000  -71795.138     -3113.3318     -73551.627     -3189.5004      294.78011      294.78011      40343.978      40343.978      662.31503      671.0907     
Loop time of 144.463 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.129 hours/ns, 6.922 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    | 129.03     | 129.03     | 129.03     |   0.0 | 89.32
Neigh   | 1.2372     | 1.2372     | 1.2372     |   0.0 |  0.86
Comm    | 0.033261   | 0.033261   | 0.033261   |   0.0 |  0.02
Output  | 5.0285e-05 | 5.0285e-05 | 5.0285e-05 |   0.0 |  0.00
Modify  | 14.153     | 14.153     | 14.153     |   0.0 |  9.80
Other   |            | 0.01033    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7739 ave        7739 max        7739 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461821 ave      461821 max      461821 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461821
Ave neighs/atom = 230.9105
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.75029635846, Press = -0.439536694967961
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     49000  -71795.138     -3113.3318     -73551.627     -3189.5004      294.78011      294.78011      40343.978      40343.978      662.31503      671.0907     
     50000  -71721.875     -3110.1549     -73522.553     -3188.2396      302.19607      302.19607      40724.179      40724.179     -774.3084      -784.56799    
Loop time of 144.796 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.597 ns/day, 40.221 hours/ns, 6.906 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    | 129.36     | 129.36     | 129.36     |   0.0 | 89.34
Neigh   | 1.2396     | 1.2396     | 1.2396     |   0.0 |  0.86
Comm    | 0.033255   | 0.033255   | 0.033255   |   0.0 |  0.02
Output  | 5.5424e-05 | 5.5424e-05 | 5.5424e-05 |   0.0 |  0.00
Modify  | 14.15      | 14.15      | 14.15      |   0.0 |  9.77
Other   |            | 0.01053    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7626 ave        7626 max        7626 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459534 ave      459534 max      459534 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459534
Ave neighs/atom = 229.767
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.737213109959, Press = 0.151752671404985
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     50000  -71721.875     -3110.1549     -73522.553     -3188.2396      302.19607      302.19607      40724.179      40724.179     -774.3084      -784.56799    
     51000  -71721.065     -3110.1197     -73497.09      -3187.1354      298.05879      298.05879      40413.956      40413.956      383.57665      388.65904    
Loop time of 144.856 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.596 ns/day, 40.238 hours/ns, 6.903 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    | 129.42     | 129.42     | 129.42     |   0.0 | 89.34
Neigh   | 1.2437     | 1.2437     | 1.2437     |   0.0 |  0.86
Comm    | 0.033309   | 0.033309   | 0.033309   |   0.0 |  0.02
Output  | 5.7498e-05 | 5.7498e-05 | 5.7498e-05 |   0.0 |  0.00
Modify  | 14.15      | 14.15      | 14.15      |   0.0 |  9.77
Other   |            | 0.01037    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7760 ave        7760 max        7760 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462654 ave      462654 max      462654 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462654
Ave neighs/atom = 231.327
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.79422099255, Press = 0.970134713542737
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     51000  -71721.065     -3110.1197     -73497.09      -3187.1354      298.05879      298.05879      40413.956      40413.956      383.57665      388.65904    
     52000  -71735.582     -3110.7492     -73473.734     -3186.1226      291.70279      291.70279      40497.298      40497.298      101.01622      102.35469    
Loop time of 144.283 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.079 hours/ns, 6.931 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    | 128.94     | 128.94     | 128.94     |   0.0 | 89.36
Neigh   | 1.179      | 1.179      | 1.179      |   0.0 |  0.82
Comm    | 0.033082   | 0.033082   | 0.033082   |   0.0 |  0.02
Output  | 4.3531e-05 | 4.3531e-05 | 4.3531e-05 |   0.0 |  0.00
Modify  | 14.124     | 14.124     | 14.124     |   0.0 |  9.79
Other   |            | 0.0105     |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7680 ave        7680 max        7680 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460607 ave      460607 max      460607 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460607
Ave neighs/atom = 230.3035
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.810776314546, Press = -0.380907163882475
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     52000  -71735.582     -3110.7492     -73473.734     -3186.1226      291.70279      291.70279      40497.298      40497.298      101.01622      102.35469    
     53000  -71771.054     -3112.2874     -73512.366     -3187.7979      292.23315      292.23315      40548.364      40548.364     -99.528441     -100.84719    
Loop time of 144.498 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.138 hours/ns, 6.920 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    | 129.13     | 129.13     | 129.13     |   0.0 | 89.36
Neigh   | 1.1786     | 1.1786     | 1.1786     |   0.0 |  0.82
Comm    | 0.033075   | 0.033075   | 0.033075   |   0.0 |  0.02
Output  | 5.1968e-05 | 5.1968e-05 | 5.1968e-05 |   0.0 |  0.00
Modify  | 14.148     | 14.148     | 14.148     |   0.0 |  9.79
Other   |            | 0.01035    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7715 ave        7715 max        7715 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460420 ave      460420 max      460420 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460420
Ave neighs/atom = 230.21
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.817851501465, Press = 0.51899127605872
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     53000  -71771.054     -3112.2874     -73512.366     -3187.7979      292.23315      292.23315      40548.364      40548.364     -99.528441     -100.84719    
     54000  -71710.172     -3109.6473     -73454.202     -3185.2756      292.68929      292.68929      40485.482      40485.482      166.18756      168.38955    
Loop time of 144.263 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.073 hours/ns, 6.932 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    | 128.89     | 128.89     | 128.89     |   0.0 | 89.35
Neigh   | 1.1779     | 1.1779     | 1.1779     |   0.0 |  0.82
Comm    | 0.033104   | 0.033104   | 0.033104   |   0.0 |  0.02
Output  | 5.7608e-05 | 5.7608e-05 | 5.7608e-05 |   0.0 |  0.00
Modify  | 14.149     | 14.149     | 14.149     |   0.0 |  9.81
Other   |            | 0.01041    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7775 ave        7775 max        7775 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461014 ave      461014 max      461014 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461014
Ave neighs/atom = 230.507
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.823158592189, Press = 0.0478571868169642
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     54000  -71710.172     -3109.6473     -73454.202     -3185.2756      292.68929      292.68929      40485.482      40485.482      166.18756      168.38955    
     55000  -71780.523     -3112.698      -73546.698     -3189.2866      296.40578      296.40578      40572.488      40572.488     -180.70087     -183.09515    
Loop time of 144.158 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.044 hours/ns, 6.937 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    | 128.75     | 128.75     | 128.75     |   0.0 | 89.31
Neigh   | 1.2353     | 1.2353     | 1.2353     |   0.0 |  0.86
Comm    | 0.033267   | 0.033267   | 0.033267   |   0.0 |  0.02
Output  | 5.4061e-05 | 5.4061e-05 | 5.4061e-05 |   0.0 |  0.00
Modify  | 14.133     | 14.133     | 14.133     |   0.0 |  9.80
Other   |            | 0.01037    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7735 ave        7735 max        7735 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460238 ave      460238 max      460238 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460238
Ave neighs/atom = 230.119
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.825573651327, Press = -0.183484930242156
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     55000  -71780.523     -3112.698      -73546.698     -3189.2866      296.40578      296.40578      40572.488      40572.488     -180.70087     -183.09515    
     56000  -71785.593     -3112.9179     -73528.123     -3188.4811      292.43743      292.43743      40565.761      40565.761     -276.91915     -280.58833    
Loop time of 144.315 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.088 hours/ns, 6.929 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    | 128.97     | 128.97     | 128.97     |   0.0 | 89.37
Neigh   | 1.1817     | 1.1817     | 1.1817     |   0.0 |  0.82
Comm    | 0.033067   | 0.033067   | 0.033067   |   0.0 |  0.02
Output  | 4.9774e-05 | 4.9774e-05 | 4.9774e-05 |   0.0 |  0.00
Modify  | 14.121     | 14.121     | 14.121     |   0.0 |  9.78
Other   |            | 0.01041    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7768 ave        7768 max        7768 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460955 ave      460955 max      460955 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460955
Ave neighs/atom = 230.4775
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.788729729691, Press = 0.858571607351918
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     56000  -71785.593     -3112.9179     -73528.123     -3188.4811      292.43743      292.43743      40565.761      40565.761     -276.91915     -280.58833    
     57000  -71819.825     -3114.4024     -73540.716     -3189.0272      288.80599      288.80599      40398.091      40398.091      552.59947      559.92142    
Loop time of 144.042 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 40.012 hours/ns, 6.942 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    | 128.64     | 128.64     | 128.64     |   0.0 | 89.31
Neigh   | 1.237      | 1.237      | 1.237      |   0.0 |  0.86
Comm    | 0.033067   | 0.033067   | 0.033067   |   0.0 |  0.02
Output  | 4.1879e-05 | 4.1879e-05 | 4.1879e-05 |   0.0 |  0.00
Modify  | 14.12      | 14.12      | 14.12      |   0.0 |  9.80
Other   |            | 0.01025    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7743 ave        7743 max        7743 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460870 ave      460870 max      460870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460870
Ave neighs/atom = 230.435
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.778316323958, Press = -0.854714227889872
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     57000  -71819.825     -3114.4024     -73540.716     -3189.0272      288.80599      288.80599      40398.091      40398.091      552.59947      559.92142    
     58000  -71798.921     -3113.4959     -73522.049     -3188.2178      289.18141      289.18141      40638.548      40638.548     -494.54383     -501.09654    
Loop time of 144.426 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.118 hours/ns, 6.924 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    | 128.97     | 128.97     | 128.97     |   0.0 | 89.30
Neigh   | 1.2402     | 1.2402     | 1.2402     |   0.0 |  0.86
Comm    | 0.033226   | 0.033226   | 0.033226   |   0.0 |  0.02
Output  | 5.0375e-05 | 5.0375e-05 | 5.0375e-05 |   0.0 |  0.00
Modify  | 14.168     | 14.168     | 14.168     |   0.0 |  9.81
Other   |            | 0.01049    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7717 ave        7717 max        7717 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459946 ave      459946 max      459946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459946
Ave neighs/atom = 229.973
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.744979469091, Press = 0.503707771707093
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     58000  -71798.921     -3113.4959     -73522.049     -3188.2178      289.18141      289.18141      40638.548      40638.548     -494.54383     -501.09654    
     59000  -71812.9       -3114.1021     -73553.027     -3189.5611      292.03424      292.03424      40466.231      40466.231      275.62623      279.27828    
Loop time of 144.323 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.090 hours/ns, 6.929 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    | 128.95     | 128.95     | 128.95     |   0.0 | 89.35
Neigh   | 1.1813     | 1.1813     | 1.1813     |   0.0 |  0.82
Comm    | 0.033077   | 0.033077   | 0.033077   |   0.0 |  0.02
Output  | 5.1267e-05 | 5.1267e-05 | 5.1267e-05 |   0.0 |  0.00
Modify  | 14.149     | 14.149     | 14.149     |   0.0 |  9.80
Other   |            | 0.01042    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7805 ave        7805 max        7805 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460809 ave      460809 max      460809 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460809
Ave neighs/atom = 230.4045
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.761002455236, Press = 0.190747853506697
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     59000  -71812.9       -3114.1021     -73553.027     -3189.5611      292.03424      292.03424      40466.231      40466.231      275.62623      279.27828    
     60000  -71797.995     -3113.4557     -73486.15      -3186.661       283.31213      283.31213      40579.422      40579.422     -340.60625     -345.11928    
Loop time of 144.183 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.051 hours/ns, 6.936 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    | 128.81     | 128.81     | 128.81     |   0.0 | 89.34
Neigh   | 1.1793     | 1.1793     | 1.1793     |   0.0 |  0.82
Comm    | 0.0331     | 0.0331     | 0.0331     |   0.0 |  0.02
Output  | 5.3841e-05 | 5.3841e-05 | 5.3841e-05 |   0.0 |  0.00
Modify  | 14.151     | 14.151     | 14.151     |   0.0 |  9.81
Other   |            | 0.0104     |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7668 ave        7668 max        7668 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459889 ave      459889 max      459889 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459889
Ave neighs/atom = 229.9445
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.706456881385, Press = -0.351798115404503
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     60000  -71797.995     -3113.4557     -73486.15      -3186.661       283.31213      283.31213      40579.422      40579.422     -340.60625     -345.11928    
     61000  -71779.381     -3112.6485     -73528.682     -3188.5054      293.57396      293.57396      40567.562      40567.562     -271.00561     -274.59644    
Loop time of 144.391 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.109 hours/ns, 6.926 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    | 128.94     | 128.94     | 128.94     |   0.0 | 89.30
Neigh   | 1.2391     | 1.2391     | 1.2391     |   0.0 |  0.86
Comm    | 0.0332     | 0.0332     | 0.0332     |   0.0 |  0.02
Output  | 5.0826e-05 | 5.0826e-05 | 5.0826e-05 |   0.0 |  0.00
Modify  | 14.166     | 14.166     | 14.166     |   0.0 |  9.81
Other   |            | 0.0103     |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7763 ave        7763 max        7763 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460396 ave      460396 max      460396 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460396
Ave neighs/atom = 230.198
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.715084525127, Press = 0.775203924811146
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     61000  -71779.381     -3112.6485     -73528.682     -3188.5054      293.57396      293.57396      40567.562      40567.562     -271.00561     -274.59644    
     62000  -71753.627     -3111.5317     -73535.589     -3188.8049      299.05519      299.05519      40405.597      40405.597      656.74841      665.45032    
Loop time of 143.939 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 39.983 hours/ns, 6.947 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    | 128.53     | 128.53     | 128.53     |   0.0 | 89.30
Neigh   | 1.2364     | 1.2364     | 1.2364     |   0.0 |  0.86
Comm    | 0.033168   | 0.033168   | 0.033168   |   0.0 |  0.02
Output  | 4.4103e-05 | 4.4103e-05 | 4.4103e-05 |   0.0 |  0.00
Modify  | 14.126     | 14.126     | 14.126     |   0.0 |  9.81
Other   |            | 0.01039    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7795 ave        7795 max        7795 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461259 ave      461259 max      461259 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461259
Ave neighs/atom = 230.6295
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.67141823232, Press = 0.0115425504700665
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     62000  -71753.627     -3111.5317     -73535.589     -3188.8049      299.05519      299.05519      40405.597      40405.597      656.74841      665.45032    
     63000  -71809.684     -3113.9626     -73545.293     -3189.2257      291.27616      291.27616      40694.674      40694.674     -788.46265     -798.90978    
Loop time of 144.221 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.062 hours/ns, 6.934 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    | 128.86     | 128.86     | 128.86     |   0.0 | 89.35
Neigh   | 1.1769     | 1.1769     | 1.1769     |   0.0 |  0.82
Comm    | 0.033069   | 0.033069   | 0.033069   |   0.0 |  0.02
Output  | 5.837e-05  | 5.837e-05  | 5.837e-05  |   0.0 |  0.00
Modify  | 14.138     | 14.138     | 14.138     |   0.0 |  9.80
Other   |            | 0.01039    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7663 ave        7663 max        7663 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459038 ave      459038 max      459038 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459038
Ave neighs/atom = 229.519
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.676282357716, Press = -0.358498274617462
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     63000  -71809.684     -3113.9626     -73545.293     -3189.2257      291.27616      291.27616      40694.674      40694.674     -788.46265     -798.90978    
     64000  -71743.89      -3111.1095     -73547.758     -3189.3326      302.73164      302.73164      40367.733      40367.733      625.91496      634.20834    
Loop time of 144.69 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.597 ns/day, 40.192 hours/ns, 6.911 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    | 129.26     | 129.26     | 129.26     |   0.0 | 89.34
Neigh   | 1.2367     | 1.2367     | 1.2367     |   0.0 |  0.85
Comm    | 0.033242   | 0.033242   | 0.033242   |   0.0 |  0.02
Output  | 5.319e-05  | 5.319e-05  | 5.319e-05  |   0.0 |  0.00
Modify  | 14.15      | 14.15      | 14.15      |   0.0 |  9.78
Other   |            | 0.01046    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7831 ave        7831 max        7831 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         463338 ave      463338 max      463338 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 463338
Ave neighs/atom = 231.669
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.72446783178, Press = 1.25913622747133
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     64000  -71743.89      -3111.1095     -73547.758     -3189.3326      302.73164      302.73164      40367.733      40367.733      625.91496      634.20834    
     65000  -71751.18      -3111.4256     -73499.484     -3187.2393      293.40652      293.40652      40588.529      40588.529     -413.86        -419.34365    
Loop time of 144.521 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.145 hours/ns, 6.919 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    | 129.09     | 129.09     | 129.09     |   0.0 | 89.32
Neigh   | 1.2409     | 1.2409     | 1.2409     |   0.0 |  0.86
Comm    | 0.033123   | 0.033123   | 0.033123   |   0.0 |  0.02
Output  | 5.4592e-05 | 5.4592e-05 | 5.4592e-05 |   0.0 |  0.00
Modify  | 14.146     | 14.146     | 14.146     |   0.0 |  9.79
Other   |            | 0.01035    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7707 ave        7707 max        7707 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459601 ave      459601 max      459601 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459601
Ave neighs/atom = 229.8005
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.742109220009, Press = -0.537197101773679
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     65000  -71751.18      -3111.4256     -73499.484     -3187.2393      293.40652      293.40652      40588.529      40588.529     -413.86        -419.34365    
     66000  -71710.961     -3109.6816     -73512.902     -3187.8211      302.40799      302.40799      40518.073      40518.073      27.143125      27.502772    
Loop time of 144.902 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.596 ns/day, 40.251 hours/ns, 6.901 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    | 129.45     | 129.45     | 129.45     |   0.0 | 89.34
Neigh   | 1.2415     | 1.2415     | 1.2415     |   0.0 |  0.86
Comm    | 0.033221   | 0.033221   | 0.033221   |   0.0 |  0.02
Output  | 5.1848e-05 | 5.1848e-05 | 5.1848e-05 |   0.0 |  0.00
Modify  | 14.162     | 14.162     | 14.162     |   0.0 |  9.77
Other   |            | 0.01053    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7830 ave        7830 max        7830 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461291 ave      461291 max      461291 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461291
Ave neighs/atom = 230.6455
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.801636050763, Press = 0.592803224813558
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     66000  -71710.961     -3109.6816     -73512.902     -3187.8211      302.40799      302.40799      40518.073      40518.073      27.143125      27.502772    
     67000  -71740.962     -3110.9825     -73496.49      -3187.1094      294.61896      294.61896      40467.112      40467.112      187.50293      189.98734    
Loop time of 144.244 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.068 hours/ns, 6.933 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    | 128.81     | 128.81     | 128.81     |   0.0 | 89.30
Neigh   | 1.2359     | 1.2359     | 1.2359     |   0.0 |  0.86
Comm    | 0.033265   | 0.033265   | 0.033265   |   0.0 |  0.02
Output  | 4.253e-05  | 4.253e-05  | 4.253e-05  |   0.0 |  0.00
Modify  | 14.152     | 14.152     | 14.152     |   0.0 |  9.81
Other   |            | 0.01035    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7801 ave        7801 max        7801 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461495 ave      461495 max      461495 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461495
Ave neighs/atom = 230.7475
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.807655129227, Press = 0.111949886316502
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     67000  -71740.962     -3110.9825     -73496.49      -3187.1094      294.61896      294.61896      40467.112      40467.112      187.50293      189.98734    
     68000  -71733.049     -3110.6394     -73516.703     -3187.9859      299.33912      299.33912      40659.697      40659.697     -497.22123     -503.80941    
Loop time of 144.12 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 40.033 hours/ns, 6.939 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    | 128.73     | 128.73     | 128.73     |   0.0 | 89.32
Neigh   | 1.2361     | 1.2361     | 1.2361     |   0.0 |  0.86
Comm    | 0.033354   | 0.033354   | 0.033354   |   0.0 |  0.02
Output  | 5.879e-05  | 5.879e-05  | 5.879e-05  |   0.0 |  0.00
Modify  | 14.111     | 14.111     | 14.111     |   0.0 |  9.79
Other   |            | 0.01036    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7685 ave        7685 max        7685 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459501 ave      459501 max      459501 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459501
Ave neighs/atom = 229.7505
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.784832034691, Press = -0.210112039652535
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     68000  -71733.049     -3110.6394     -73516.703     -3187.9859      299.33912      299.33912      40659.697      40659.697     -497.22123     -503.80941    
     69000  -71847.737     -3115.6127     -73576.703     -3190.5878      290.16127      290.16127      40481.435      40481.435      279.75996      283.46678    
Loop time of 144.314 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.087 hours/ns, 6.929 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    | 128.89     | 128.89     | 128.89     |   0.0 | 89.31
Neigh   | 1.2408     | 1.2408     | 1.2408     |   0.0 |  0.86
Comm    | 0.0332     | 0.0332     | 0.0332     |   0.0 |  0.02
Output  | 5.0996e-05 | 5.0996e-05 | 5.0996e-05 |   0.0 |  0.00
Modify  | 14.141     | 14.141     | 14.141     |   0.0 |  9.80
Other   |            | 0.01037    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7830 ave        7830 max        7830 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461302 ave      461302 max      461302 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461302
Ave neighs/atom = 230.651
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.767476822332, Press = 1.28106583726775
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     69000  -71847.737     -3115.6127     -73576.703     -3190.5878      290.16127      290.16127      40481.435      40481.435      279.75996      283.46678    
     70000  -71773.874     -3112.4097     -73520.761     -3188.1619      293.16876      293.16876      40509.794      40509.794     -94.064203     -95.310554    
Loop time of 144.165 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.046 hours/ns, 6.937 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    | 128.76     | 128.76     | 128.76     |   0.0 | 89.31
Neigh   | 1.2338     | 1.2338     | 1.2338     |   0.0 |  0.86
Comm    | 0.03313    | 0.03313    | 0.03313    |   0.0 |  0.02
Output  | 5.5715e-05 | 5.5715e-05 | 5.5715e-05 |   0.0 |  0.00
Modify  | 14.129     | 14.129     | 14.129     |   0.0 |  9.80
Other   |            | 0.01032    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7771 ave        7771 max        7771 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461151 ave      461151 max      461151 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461151
Ave neighs/atom = 230.5755
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.757775997422, Press = -0.316382445061694
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     70000  -71773.874     -3112.4097     -73520.761     -3188.1619      293.16876      293.16876      40509.794      40509.794     -94.064203     -95.310554    
     71000  -71725.059     -3110.2929     -73513.972     -3187.8675      300.22179      300.22179      40521.365      40521.365      83.390553      84.495478    
Loop time of 144.737 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.597 ns/day, 40.205 hours/ns, 6.909 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.34     | 129.34     | 129.34     |   0.0 | 89.36
Neigh   | 1.1798     | 1.1798     | 1.1798     |   0.0 |  0.82
Comm    | 0.033201   | 0.033201   | 0.033201   |   0.0 |  0.02
Output  | 5.2238e-05 | 5.2238e-05 | 5.2238e-05 |   0.0 |  0.00
Modify  | 14.171     | 14.171     | 14.171     |   0.0 |  9.79
Other   |            | 0.01042    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7742 ave        7742 max        7742 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461177 ave      461177 max      461177 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461177
Ave neighs/atom = 230.5885
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.768288158812, Press = 0.456550953496768
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     71000  -71725.059     -3110.2929     -73513.972     -3187.8675      300.22179      300.22179      40521.365      40521.365      83.390553      84.495478    
     72000  -71850.42      -3115.7291     -73547.258     -3189.3109      284.76935      284.76935      40524.114      40524.114     -61.475719     -62.290272    
Loop time of 144.32 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.089 hours/ns, 6.929 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.88     | 128.88     | 128.88     |   0.0 | 89.30
Neigh   | 1.2372     | 1.2372     | 1.2372     |   0.0 |  0.86
Comm    | 0.033254   | 0.033254   | 0.033254   |   0.0 |  0.02
Output  | 4.4012e-05 | 4.4012e-05 | 4.4012e-05 |   0.0 |  0.00
Modify  | 14.162     | 14.162     | 14.162     |   0.0 |  9.81
Other   |            | 0.01035    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7722 ave        7722 max        7722 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461316 ave      461316 max      461316 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461316
Ave neighs/atom = 230.658
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.760743162258, Press = 0.0352992259018772
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     72000  -71850.42      -3115.7291     -73547.258     -3189.3109      284.76935      284.76935      40524.114      40524.114     -61.475719     -62.290272    
     73000  -71768.649     -3112.1832     -73511.72      -3187.7699      292.52836      292.52836      40618.586      40618.586     -427.77881     -433.44688    
Loop time of 144.31 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.086 hours/ns, 6.930 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.93     | 128.93     | 128.93     |   0.0 | 89.34
Neigh   | 1.1798     | 1.1798     | 1.1798     |   0.0 |  0.82
Comm    | 0.033142   | 0.033142   | 0.033142   |   0.0 |  0.02
Output  | 5.6075e-05 | 5.6075e-05 | 5.6075e-05 |   0.0 |  0.00
Modify  | 14.154     | 14.154     | 14.154     |   0.0 |  9.81
Other   |            | 0.01042    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7692 ave        7692 max        7692 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460558 ave      460558 max      460558 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460558
Ave neighs/atom = 230.279
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.726879176874, Press = -0.036257900017857
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     73000  -71768.649     -3112.1832     -73511.72      -3187.7699      292.52836      292.52836      40618.586      40618.586     -427.77881     -433.44688    
     74000  -71755.76      -3111.6242     -73485.86      -3186.6485      290.35141      290.35141      40395.742      40395.742      372.35913      377.29289    
Loop time of 144.941 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.596 ns/day, 40.261 hours/ns, 6.899 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.52     | 129.52     | 129.52     |   0.0 | 89.36
Neigh   | 1.1833     | 1.1833     | 1.1833     |   0.0 |  0.82
Comm    | 0.03345    | 0.03345    | 0.03345    |   0.0 |  0.02
Output  | 5.7017e-05 | 5.7017e-05 | 5.7017e-05 |   0.0 |  0.00
Modify  | 14.194     | 14.194     | 14.194     |   0.0 |  9.79
Other   |            | 0.01045    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7907 ave        7907 max        7907 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         463448 ave      463448 max      463448 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 463448
Ave neighs/atom = 231.724
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.758388325187, Press = 1.03806573807916
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     74000  -71755.76      -3111.6242     -73485.86      -3186.6485      290.35141      290.35141      40395.742      40395.742      372.35913      377.29289    
     75000  -71854.254     -3115.8953     -73577.713     -3190.6316      289.23704      289.23704      40480.034      40480.034      229.41769      232.45748    
Loop time of 144.342 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.095 hours/ns, 6.928 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.97     | 128.97     | 128.97     |   0.0 | 89.35
Neigh   | 1.1806     | 1.1806     | 1.1806     |   0.0 |  0.82
Comm    | 0.033015   | 0.033015   | 0.033015   |   0.0 |  0.02
Output  | 5.0956e-05 | 5.0956e-05 | 5.0956e-05 |   0.0 |  0.00
Modify  | 14.15      | 14.15      | 14.15      |   0.0 |  9.80
Other   |            | 0.01037    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7742 ave        7742 max        7742 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460591 ave      460591 max      460591 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460591
Ave neighs/atom = 230.2955
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.7304871216, Press = -0.480000107365442
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     75000  -71854.254     -3115.8953     -73577.713     -3190.6316      289.23704      289.23704      40480.034      40480.034      229.41769      232.45748    
     76000  -71725.704     -3110.3209     -73485.56      -3186.6355      295.3452       295.3452       40536.094      40536.094     -184.35892     -186.80168    
Loop time of 144.766 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.597 ns/day, 40.213 hours/ns, 6.908 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.31     | 129.31     | 129.31     |   0.0 | 89.32
Neigh   | 1.2425     | 1.2425     | 1.2425     |   0.0 |  0.86
Comm    | 0.033316   | 0.033316   | 0.033316   |   0.0 |  0.02
Output  | 5.827e-05  | 5.827e-05  | 5.827e-05  |   0.0 |  0.00
Modify  | 14.172     | 14.172     | 14.172     |   0.0 |  9.79
Other   |            | 0.01038    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7727 ave        7727 max        7727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461390 ave      461390 max      461390 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461390
Ave neighs/atom = 230.695
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.722279308588, Press = 0.742264463735832
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     76000  -71725.704     -3110.3209     -73485.56      -3186.6355      295.3452       295.3452       40536.094      40536.094     -184.35892     -186.80168    
     77000  -71771.808     -3112.3201     -73466.12      -3185.7925      284.34545      284.34545      40433.381      40433.381      367.72572      372.59809    
Loop time of 144.444 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.123 hours/ns, 6.923 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.06     | 129.06     | 129.06     |   0.0 | 89.35
Neigh   | 1.1782     | 1.1782     | 1.1782     |   0.0 |  0.82
Comm    | 0.033044   | 0.033044   | 0.033044   |   0.0 |  0.02
Output  | 4.3482e-05 | 4.3482e-05 | 4.3482e-05 |   0.0 |  0.00
Modify  | 14.16      | 14.16      | 14.16      |   0.0 |  9.80
Other   |            | 0.01043    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7772 ave        7772 max        7772 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461894 ave      461894 max      461894 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461894
Ave neighs/atom = 230.947
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.747822333543, Press = -0.142758484672994
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     77000  -71771.808     -3112.3201     -73466.12      -3185.7925      284.34545      284.34545      40433.381      40433.381      367.72572      372.59809    
     78000  -71730.473     -3110.5277     -73498.704     -3187.2054      296.75067      296.75067      40620.216      40620.216     -482.99328     -489.39294    
Loop time of 144.672 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.597 ns/day, 40.187 hours/ns, 6.912 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.26     | 129.26     | 129.26     |   0.0 | 89.34
Neigh   | 1.1807     | 1.1807     | 1.1807     |   0.0 |  0.82
Comm    | 0.033156   | 0.033156   | 0.033156   |   0.0 |  0.02
Output  | 5.1226e-05 | 5.1226e-05 | 5.1226e-05 |   0.0 |  0.00
Modify  | 14.191     | 14.191     | 14.191     |   0.0 |  9.81
Other   |            | 0.01054    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7707 ave        7707 max        7707 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460670 ave      460670 max      460670 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460670
Ave neighs/atom = 230.335
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.76889284688, Press = 0.260751423492105
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     78000  -71730.473     -3110.5277     -73498.704     -3187.2054      296.75067      296.75067      40620.216      40620.216     -482.99328     -489.39294    
     79000  -71810.225     -3113.986      -73567.84      -3190.2034      294.96917      294.96917      40484.88       40484.88       294.58602      298.48929    
Loop time of 144.522 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.598 ns/day, 40.145 hours/ns, 6.919 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 129.04     | 129.04     | 129.04     |   0.0 | 89.29
Neigh   | 1.2432     | 1.2432     | 1.2432     |   0.0 |  0.86
Comm    | 0.033287   | 0.033287   | 0.033287   |   0.0 |  0.02
Output  | 5.3109e-05 | 5.3109e-05 | 5.3109e-05 |   0.0 |  0.00
Modify  | 14.192     | 14.192     | 14.192     |   0.0 |  9.82
Other   |            | 0.01033    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7727 ave        7727 max        7727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461379 ave      461379 max      461379 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461379
Ave neighs/atom = 230.6895
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.799934406223, Press = 0.168565434210588
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     79000  -71810.225     -3113.986      -73567.84      -3190.2034      294.96917      294.96917      40484.88       40484.88       294.58602      298.48929    
     80000  -71741.809     -3111.0193     -73508.353     -3187.6239      296.46771      296.46771      40532.755      40532.755     -131.02928     -132.76542    
Loop time of 144.339 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.094 hours/ns, 6.928 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.96     | 128.96     | 128.96     |   0.0 | 89.35
Neigh   | 1.1821     | 1.1821     | 1.1821     |   0.0 |  0.82
Comm    | 0.033117   | 0.033117   | 0.033117   |   0.0 |  0.02
Output  | 5.305e-05  | 5.305e-05  | 5.305e-05  |   0.0 |  0.00
Modify  | 14.152     | 14.152     | 14.152     |   0.0 |  9.80
Other   |            | 0.01043    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7725 ave        7725 max        7725 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460763 ave      460763 max      460763 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460763
Ave neighs/atom = 230.3815
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.803798013156, Press = 0.19783015888456
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     80000  -71741.809     -3111.0193     -73508.353     -3187.6239      296.46771      296.46771      40532.755      40532.755     -131.02928     -132.76542    
     81000  -71774.771     -3112.4486     -73504.492     -3187.4564      290.28806      290.28806      40523.204      40523.204     -183.06574     -185.49137    
Loop time of 144.168 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.047 hours/ns, 6.936 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.79     | 128.79     | 128.79     |   0.0 | 89.33
Neigh   | 1.1824     | 1.1824     | 1.1824     |   0.0 |  0.82
Comm    | 0.03314    | 0.03314    | 0.03314    |   0.0 |  0.02
Output  | 5.0735e-05 | 5.0735e-05 | 5.0735e-05 |   0.0 |  0.00
Modify  | 14.157     | 14.157     | 14.157     |   0.0 |  9.82
Other   |            | 0.01038    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7678 ave        7678 max        7678 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460340 ave      460340 max      460340 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460340
Ave neighs/atom = 230.17
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.772638804503, Press = -0.102469891061729
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     81000  -71774.771     -3112.4486     -73504.492     -3187.4564      290.28806      290.28806      40523.204      40523.204     -183.06574     -185.49137    
     82000  -71799.542     -3113.5228     -73528.955     -3188.5173      290.23637      290.23637      40557.947      40557.947     -236.31997     -239.45121    
Loop time of 144.313 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.087 hours/ns, 6.929 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.96     | 128.96     | 128.96     |   0.0 | 89.36
Neigh   | 1.1241     | 1.1241     | 1.1241     |   0.0 |  0.78
Comm    | 0.033069   | 0.033069   | 0.033069   |   0.0 |  0.02
Output  | 4.252e-05  | 4.252e-05  | 4.252e-05  |   0.0 |  0.00
Modify  | 14.182     | 14.182     | 14.182     |   0.0 |  9.83
Other   |            | 0.01047    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7714 ave        7714 max        7714 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461073 ave      461073 max      461073 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461073
Ave neighs/atom = 230.5365
Neighbor list builds = 19
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.772040501554, Press = 0.607437234064054
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     82000  -71799.542     -3113.5228     -73528.955     -3188.5173      290.23637      290.23637      40557.947      40557.947     -236.31997     -239.45121    
     83000  -71780.907     -3112.7147     -73498.369     -3187.1909      288.23054      288.23054      40419.684      40419.684      440.14106      445.97293    
Loop time of 144.008 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 40.002 hours/ns, 6.944 timesteps/s
99.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 128.64     | 128.64     | 128.64     |   0.0 | 89.33
Neigh   | 1.1795     | 1.1795     | 1.1795     |   0.0 |  0.82
Comm    | 0.033015   | 0.033015   | 0.033015   |   0.0 |  0.02
Output  | 5.0946e-05 | 5.0946e-05 | 5.0946e-05 |   0.0 |  0.00
Modify  | 14.147     | 14.147     | 14.147     |   0.0 |  9.82
Other   |            | 0.01037    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7727 ave        7727 max        7727 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460396 ave      460396 max      460396 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460396
Ave neighs/atom = 230.198
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.738180373048, Press = -0.208652536131191
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     83000  -71780.907     -3112.7147     -73498.369     -3187.1909      288.23054      288.23054      40419.684      40419.684      440.14106      445.97293    
     84000  -71780.057     -3112.6779     -73513.943     -3187.8663      290.98686      290.98686      40639.612      40639.612     -552.50266     -559.82332    
Loop time of 144.349 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.097 hours/ns, 6.928 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    | 128.97     | 128.97     | 128.97     |   0.0 | 89.35
Neigh   | 1.1805     | 1.1805     | 1.1805     |   0.0 |  0.82
Comm    | 0.033085   | 0.033085   | 0.033085   |   0.0 |  0.02
Output  | 5.1367e-05 | 5.1367e-05 | 5.1367e-05 |   0.0 |  0.00
Modify  | 14.155     | 14.155     | 14.155     |   0.0 |  9.81
Other   |            | 0.01036    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7655 ave        7655 max        7655 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459207 ave      459207 max      459207 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459207
Ave neighs/atom = 229.6035
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.759706338777, Press = 0.241660236007832
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     84000  -71780.057     -3112.6779     -73513.943     -3187.8663      290.98686      290.98686      40639.612      40639.612     -552.50266     -559.82332    
     85000  -71676.501     -3108.1872     -73450.76      -3185.1264      297.7625       297.7625       40348.985      40348.985      658.84569      667.57539    
Loop time of 145.696 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.593 ns/day, 40.471 hours/ns, 6.864 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    | 130.32     | 130.32     | 130.32     |   0.0 | 89.45
Neigh   | 1.1794     | 1.1794     | 1.1794     |   0.0 |  0.81
Comm    | 0.033226   | 0.033226   | 0.033226   |   0.0 |  0.02
Output  | 6.382e-05  | 6.382e-05  | 6.382e-05  |   0.0 |  0.00
Modify  | 14.152     | 14.152     | 14.152     |   0.0 |  9.71
Other   |            | 0.01044    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7815 ave        7815 max        7815 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462867 ave      462867 max      462867 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462867
Ave neighs/atom = 231.4335
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.786487469701, Press = 0.177761972183849
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     85000  -71676.501     -3108.1872     -73450.76      -3185.1264      297.7625       297.7625       40348.985      40348.985      658.84569      667.57539    
     86000  -71788.324     -3113.0363     -73500.782     -3187.2955      287.39081      287.39081      40638.424      40638.424     -546.79813     -554.0432     
Loop time of 144.082 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 40.023 hours/ns, 6.941 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    | 128.66     | 128.66     | 128.66     |   0.0 | 89.30
Neigh   | 1.2392     | 1.2392     | 1.2392     |   0.0 |  0.86
Comm    | 0.033153   | 0.033153   | 0.033153   |   0.0 |  0.02
Output  | 5.5394e-05 | 5.5394e-05 | 5.5394e-05 |   0.0 |  0.00
Modify  | 14.136     | 14.136     | 14.136     |   0.0 |  9.81
Other   |            | 0.01045    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7655 ave        7655 max        7655 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459225 ave      459225 max      459225 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459225
Ave neighs/atom = 229.6125
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.809086419928, Press = -0.166812347950763
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     86000  -71788.324     -3113.0363     -73500.782     -3187.2955      287.39081      287.39081      40638.424      40638.424     -546.79813     -554.0432     
     87000  -71722.986     -3110.203      -73507.601     -3187.5913      299.50044      299.50044      40417.603      40417.603      441.46043      447.30979    
Loop time of 144.152 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.599 ns/day, 40.042 hours/ns, 6.937 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    | 128.71     | 128.71     | 128.71     |   0.0 | 89.29
Neigh   | 1.2415     | 1.2415     | 1.2415     |   0.0 |  0.86
Comm    | 0.033102   | 0.033102   | 0.033102   |   0.0 |  0.02
Output  | 5.5905e-05 | 5.5905e-05 | 5.5905e-05 |   0.0 |  0.00
Modify  | 14.157     | 14.157     | 14.157     |   0.0 |  9.82
Other   |            | 0.01016    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7781 ave        7781 max        7781 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462180 ave      462180 max      462180 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462180
Ave neighs/atom = 231.09
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.838845514174, Press = 0.535025656100305
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     87000  -71722.986     -3110.203      -73507.601     -3187.5913      299.50044      299.50044      40417.603      40417.603      441.46043      447.30979    
     88000  -71785.096     -3112.8964     -73524.655     -3188.3308      291.93902      291.93902      40568.94       40568.94      -133.28661     -135.05266    
Loop time of 145.179 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.595 ns/day, 40.328 hours/ns, 6.888 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    | 129.82     | 129.82     | 129.82     |   0.0 | 89.42
Neigh   | 1.1785     | 1.1785     | 1.1785     |   0.0 |  0.81
Comm    | 0.033355   | 0.033355   | 0.033355   |   0.0 |  0.02
Output  | 5.6967e-05 | 5.6967e-05 | 5.6967e-05 |   0.0 |  0.00
Modify  | 14.133     | 14.133     | 14.133     |   0.0 |  9.73
Other   |            | 0.01049    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7691 ave        7691 max        7691 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459740 ave      459740 max      459740 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459740
Ave neighs/atom = 229.87
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.860995299969, Press = -0.0827070151997339
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     88000  -71785.096     -3112.8964     -73524.655     -3188.3308      291.93902      291.93902      40568.94       40568.94      -133.28661     -135.05266    
     89000  -71747.541     -3111.2678     -73535.172     -3188.7869      300.00666      300.00666      40528.004      40528.004      23.794894      24.110176    
Loop time of 144.056 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 40.015 hours/ns, 6.942 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    | 128.75     | 128.75     | 128.75     |   0.0 | 89.38
Neigh   | 1.1211     | 1.1211     | 1.1211     |   0.0 |  0.78
Comm    | 0.033283   | 0.033283   | 0.033283   |   0.0 |  0.02
Output  | 5.2709e-05 | 5.2709e-05 | 5.2709e-05 |   0.0 |  0.00
Modify  | 14.137     | 14.137     | 14.137     |   0.0 |  9.81
Other   |            | 0.01031    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7731 ave        7731 max        7731 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461811 ave      461811 max      461811 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461811
Ave neighs/atom = 230.9055
Neighbor list builds = 19
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.895561325296, Press = 0.239883985703162
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     89000  -71747.541     -3111.2678     -73535.172     -3188.7869      300.00666      300.00666      40528.004      40528.004      23.794894      24.110176    
     90000  -71722.81      -3110.1954     -73505.071     -3187.4816      299.10552      299.10552      40448.842      40448.842      333.4118       337.82951    
Loop time of 143.817 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.949 hours/ns, 6.953 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    | 128.47     | 128.47     | 128.47     |   0.0 | 89.33
Neigh   | 1.1777     | 1.1777     | 1.1777     |   0.0 |  0.82
Comm    | 0.033326   | 0.033326   | 0.033326   |   0.0 |  0.02
Output  | 5.6346e-05 | 5.6346e-05 | 5.6346e-05 |   0.0 |  0.00
Modify  | 14.121     | 14.121     | 14.121     |   0.0 |  9.82
Other   |            | 0.01036    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7764 ave        7764 max        7764 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461624 ave      461624 max      461624 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461624
Ave neighs/atom = 230.812
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.902451650093, Press = 0.121235061712606
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     90000  -71722.81      -3110.1954     -73505.071     -3187.4816      299.10552      299.10552      40448.842      40448.842      333.4118       337.82951    
     91000  -71759.322     -3111.7787     -73513.553     -3187.8494      294.40129      294.40129      40685.164      40685.164     -588.51047     -596.30824    
Loop time of 143.983 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 39.995 hours/ns, 6.945 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    | 128.63     | 128.63     | 128.63     |   0.0 | 89.34
Neigh   | 1.177      | 1.177      | 1.177      |   0.0 |  0.82
Comm    | 0.033246   | 0.033246   | 0.033246   |   0.0 |  0.02
Output  | 5.2158e-05 | 5.2158e-05 | 5.2158e-05 |   0.0 |  0.00
Modify  | 14.133     | 14.133     | 14.133     |   0.0 |  9.82
Other   |            | 0.01029    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7656 ave        7656 max        7656 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459883 ave      459883 max      459883 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459883
Ave neighs/atom = 229.9415
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.926384384521, Press = -0.0571111062140031
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     91000  -71759.322     -3111.7787     -73513.553     -3187.8494      294.40129      294.40129      40685.164      40685.164     -588.51047     -596.30824    
     92000  -71781.934     -3112.7592     -73527.987     -3188.4753      293.02887      293.02887      40350.719      40350.719      816.30483      827.12087    
Loop time of 143.949 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 39.986 hours/ns, 6.947 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    | 128.55     | 128.55     | 128.55     |   0.0 | 89.30
Neigh   | 1.2366     | 1.2366     | 1.2366     |   0.0 |  0.86
Comm    | 0.033315   | 0.033315   | 0.033315   |   0.0 |  0.02
Output  | 5.4372e-05 | 5.4372e-05 | 5.4372e-05 |   0.0 |  0.00
Modify  | 14.123     | 14.123     | 14.123     |   0.0 |  9.81
Other   |            | 0.01021    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7812 ave        7812 max        7812 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462771 ave      462771 max      462771 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462771
Ave neighs/atom = 231.3855
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.939165859451, Press = 0.687378928479292
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     92000  -71781.934     -3112.7592     -73527.987     -3188.4753      293.02887      293.02887      40350.719      40350.719      816.30484      827.12087    
     93000  -71830.317     -3114.8573     -73559.55      -3189.844       290.20593      290.20593      40539.689      40539.689     -79.592069     -80.646664    
Loop time of 143.766 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.935 hours/ns, 6.956 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    | 128.37     | 128.37     | 128.37     |   0.0 | 89.29
Neigh   | 1.2354     | 1.2354     | 1.2354     |   0.0 |  0.86
Comm    | 0.033378   | 0.033378   | 0.033378   |   0.0 |  0.02
Output  | 5.1046e-05 | 5.1046e-05 | 5.1046e-05 |   0.0 |  0.00
Modify  | 14.121     | 14.121     | 14.121     |   0.0 |  9.82
Other   |            | 0.01024    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7618 ave        7618 max        7618 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460243 ave      460243 max      460243 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460243
Ave neighs/atom = 230.1215
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.951524420908, Press = -0.320996605280633
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     93000  -71830.317     -3114.8573     -73559.55      -3189.844       290.20593      290.20593      40539.689      40539.689     -79.592069     -80.646664    
     94000  -71742.544     -3111.0511     -73466.384     -3185.8039      289.301        289.301        40581.97       40581.97      -397.04766     -402.30854    
Loop time of 143.87 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.964 hours/ns, 6.951 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    | 128.5      | 128.5      | 128.5      |   0.0 | 89.32
Neigh   | 1.1787     | 1.1787     | 1.1787     |   0.0 |  0.82
Comm    | 0.033338   | 0.033338   | 0.033338   |   0.0 |  0.02
Output  | 4.4383e-05 | 4.4383e-05 | 4.4383e-05 |   0.0 |  0.00
Modify  | 14.144     | 14.144     | 14.144     |   0.0 |  9.83
Other   |            | 0.01035    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7663 ave        7663 max        7663 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460298 ave      460298 max      460298 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460298
Ave neighs/atom = 230.149
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.941622724559, Press = 0.321256673444258
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     94000  -71742.544     -3111.0511     -73466.384     -3185.8039      289.301        289.301        40581.97       40581.97      -397.04766     -402.30854    
     95000  -71809.382     -3113.9495     -73519.109     -3188.0903      286.93245      286.93245      40414.036      40414.036      509.64124      516.39399    
Loop time of 143.659 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.905 hours/ns, 6.961 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    | 128.28     | 128.28     | 128.28     |   0.0 | 89.30
Neigh   | 1.2369     | 1.2369     | 1.2369     |   0.0 |  0.86
Comm    | 0.033486   | 0.033486   | 0.033486   |   0.0 |  0.02
Output  | 5.1487e-05 | 5.1487e-05 | 5.1487e-05 |   0.0 |  0.00
Modify  | 14.094     | 14.094     | 14.094     |   0.0 |  9.81
Other   |            | 0.01027    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7719 ave        7719 max        7719 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461352 ave      461352 max      461352 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461352
Ave neighs/atom = 230.676
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.92441521586, Press = 0.231245341700358
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     95000  -71809.382     -3113.9495     -73519.109     -3188.0903      286.93245      286.93245      40414.036      40414.036      509.64124      516.39399    
     96000  -71833.021     -3114.9746     -73589.969     -3191.1631      294.85731      294.85731      40621.232      40621.232     -336.07954     -340.53259    
Loop time of 143.543 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.602 ns/day, 39.873 hours/ns, 6.967 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    | 128.22     | 128.22     | 128.22     |   0.0 | 89.32
Neigh   | 1.1787     | 1.1787     | 1.1787     |   0.0 |  0.82
Comm    | 0.033241   | 0.033241   | 0.033241   |   0.0 |  0.02
Output  | 6.0304e-05 | 6.0304e-05 | 6.0304e-05 |   0.0 |  0.00
Modify  | 14.102     | 14.102     | 14.102     |   0.0 |  9.82
Other   |            | 0.01029    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7602 ave        7602 max        7602 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459539 ave      459539 max      459539 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459539
Ave neighs/atom = 229.7695
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.931287341649, Press = -0.203420985722565
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     96000  -71833.021     -3114.9746     -73589.969     -3191.1631      294.85731      294.85731      40621.232      40621.232     -336.07954     -340.53259    
     97000  -71778.075     -3112.5919     -73509.199     -3187.6605      290.52325      290.52325      40520.454      40520.454     -5.8708247     -5.9486132    
Loop time of 143.652 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.903 hours/ns, 6.961 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    | 128.25     | 128.25     | 128.25     |   0.0 | 89.28
Neigh   | 1.2401     | 1.2401     | 1.2401     |   0.0 |  0.86
Comm    | 0.033155   | 0.033155   | 0.033155   |   0.0 |  0.02
Output  | 5.2429e-05 | 5.2429e-05 | 5.2429e-05 |   0.0 |  0.00
Modify  | 14.115     | 14.115     | 14.115     |   0.0 |  9.83
Other   |            | 0.01025    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7749 ave        7749 max        7749 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460877 ave      460877 max      460877 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460877
Ave neighs/atom = 230.4385
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.903056598764, Press = 0.680947571058924
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     97000  -71778.075     -3112.5919     -73509.199     -3187.6605      290.52325      290.52325      40520.454      40520.454     -5.8708247     -5.9486132    
     98000  -71797.79      -3113.4468     -73565.164     -3190.0874      296.6069       296.6069       40373.237      40373.237      767.15448      777.31928    
Loop time of 143.456 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.602 ns/day, 39.849 hours/ns, 6.971 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    | 128.06     | 128.06     | 128.06     |   0.0 | 89.27
Neigh   | 1.2338     | 1.2338     | 1.2338     |   0.0 |  0.86
Comm    | 0.033096   | 0.033096   | 0.033096   |   0.0 |  0.02
Output  | 5.0876e-05 | 5.0876e-05 | 5.0876e-05 |   0.0 |  0.00
Modify  | 14.117     | 14.117     | 14.117     |   0.0 |  9.84
Other   |            | 0.01024    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7690 ave        7690 max        7690 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460834 ave      460834 max      460834 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460834
Ave neighs/atom = 230.417
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.908561925066, Press = -0.318715010934264
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     98000  -71797.79      -3113.4468     -73565.164     -3190.0874      296.6069       296.6069       40373.237      40373.237      767.15448      777.31928    
     99000  -71733.107     -3110.6419     -73522.797     -3188.2502      300.35207      300.35207      40633.466      40633.466     -409.17435     -414.59591    
Loop time of 143.809 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.947 hours/ns, 6.954 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    | 128.4      | 128.4      | 128.4      |   0.0 | 89.28
Neigh   | 1.2372     | 1.2372     | 1.2372     |   0.0 |  0.86
Comm    | 0.033174   | 0.033174   | 0.033174   |   0.0 |  0.02
Output  | 4.2369e-05 | 4.2369e-05 | 4.2369e-05 |   0.0 |  0.00
Modify  | 14.13      | 14.13      | 14.13      |   0.0 |  9.83
Other   |            | 0.01027    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7647 ave        7647 max        7647 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459501 ave      459501 max      459501 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459501
Ave neighs/atom = 229.7505
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.901703944284, Press = 0.198851219273904
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     99000  -71733.107     -3110.6419     -73522.797     -3188.2502      300.35207      300.35207      40633.466      40633.466     -409.17435     -414.59591    
    100000  -71804.29      -3113.7287     -73558.182     -3189.7847      294.34453      294.34453      40464.582      40464.582      339.62269      344.12269    
Loop time of 143.478 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.602 ns/day, 39.855 hours/ns, 6.970 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    | 128.08     | 128.08     | 128.08     |   0.0 | 89.27
Neigh   | 1.2356     | 1.2356     | 1.2356     |   0.0 |  0.86
Comm    | 0.033114   | 0.033114   | 0.033114   |   0.0 |  0.02
Output  | 5.0094e-05 | 5.0094e-05 | 5.0094e-05 |   0.0 |  0.00
Modify  | 14.119     | 14.119     | 14.119     |   0.0 |  9.84
Other   |            | 0.01029    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7753 ave        7753 max        7753 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460807 ave      460807 max      460807 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460807
Ave neighs/atom = 230.4035
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.887648096827, Press = 0.153876955760866
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    100000  -71804.29      -3113.7287     -73558.182     -3189.7847      294.34453      294.34453      40464.582      40464.582      339.62269      344.12269    
    101000  -71715.829     -3109.8927     -73463.345     -3185.6721      293.27439      293.27439      40519.617      40519.617     -54.026822     -54.742677    
Loop time of 143.489 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.602 ns/day, 39.858 hours/ns, 6.969 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    | 128.16     | 128.16     | 128.16     |   0.0 | 89.32
Neigh   | 1.1768     | 1.1768     | 1.1768     |   0.0 |  0.82
Comm    | 0.033093   | 0.033093   | 0.033093   |   0.0 |  0.02
Output  | 5.2178e-05 | 5.2178e-05 | 5.2178e-05 |   0.0 |  0.00
Modify  | 14.106     | 14.106     | 14.106     |   0.0 |  9.83
Other   |            | 0.01025    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7718 ave        7718 max        7718 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460926 ave      460926 max      460926 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460926
Ave neighs/atom = 230.463
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.8742077246, Press = 0.0308462042819168
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    101000  -71715.829     -3109.8927     -73463.345     -3185.6721      293.27439      293.27439      40519.617      40519.617     -54.026822     -54.742677    
    102000  -71749.301     -3111.3441     -73507.255     -3187.5763      295.02621      295.02621      40561.792      40561.792     -214.41548     -217.25649    
Loop time of 143.934 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 39.982 hours/ns, 6.948 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    | 128.57     | 128.57     | 128.57     |   0.0 | 89.33
Neigh   | 1.178      | 1.178      | 1.178      |   0.0 |  0.82
Comm    | 0.03294    | 0.03294    | 0.03294    |   0.0 |  0.02
Output  | 5.0585e-05 | 5.0585e-05 | 5.0585e-05 |   0.0 |  0.00
Modify  | 14.14      | 14.14      | 14.14      |   0.0 |  9.82
Other   |            | 0.0103     |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7755 ave        7755 max        7755 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461191 ave      461191 max      461191 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461191
Ave neighs/atom = 230.5955
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.880595206094, Press = 0.35166661096821
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    102000  -71749.301     -3111.3441     -73507.255     -3187.5763      295.02621      295.02621      40561.792      40561.792     -214.41548     -217.25649    
    103000  -71769.479     -3112.2192     -73518.661     -3188.0708      293.55383      293.55383      40325.324      40325.324      881.99387      893.68029    
Loop time of 143.635 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.602 ns/day, 39.899 hours/ns, 6.962 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    | 128.31     | 128.31     | 128.31     |   0.0 | 89.33
Neigh   | 1.1767     | 1.1767     | 1.1767     |   0.0 |  0.82
Comm    | 0.033012   | 0.033012   | 0.033012   |   0.0 |  0.02
Output  | 5.0004e-05 | 5.0004e-05 | 5.0004e-05 |   0.0 |  0.00
Modify  | 14.101     | 14.101     | 14.101     |   0.0 |  9.82
Other   |            | 0.01028    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7752 ave        7752 max        7752 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462374 ave      462374 max      462374 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462374
Ave neighs/atom = 231.187
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.879823276323, Press = -0.100150143576596
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    103000  -71769.479     -3112.2192     -73518.661     -3188.0708      293.55383      293.55383      40325.324      40325.324      881.99387      893.68029    
    104000  -71815.437     -3114.2121     -73558.924     -3189.8168      292.59819      292.59819      40669.575      40669.575     -652.18869     -660.83019    
Loop time of 143.827 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.952 hours/ns, 6.953 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    | 128.47     | 128.47     | 128.47     |   0.0 | 89.33
Neigh   | 1.1767     | 1.1767     | 1.1767     |   0.0 |  0.82
Comm    | 0.033024   | 0.033024   | 0.033024   |   0.0 |  0.02
Output  | 4.3652e-05 | 4.3652e-05 | 4.3652e-05 |   0.0 |  0.00
Modify  | 14.133     | 14.133     | 14.133     |   0.0 |  9.83
Other   |            | 0.01044    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7655 ave        7655 max        7655 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460124 ave      460124 max      460124 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460124
Ave neighs/atom = 230.062
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.888189416495, Press = 0.0211291504732864
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    104000  -71815.437     -3114.2121     -73558.924     -3189.8168      292.59819      292.59819      40669.575      40669.575     -652.18869     -660.83019    
    105000  -71853.986     -3115.8837     -73557.989     -3189.7763      285.97179      285.97179      40471.772      40471.772      237.69681      240.8463     
Loop time of 143.793 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.943 hours/ns, 6.954 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    | 128.44     | 128.44     | 128.44     |   0.0 | 89.32
Neigh   | 1.1787     | 1.1787     | 1.1787     |   0.0 |  0.82
Comm    | 0.032999   | 0.032999   | 0.032999   |   0.0 |  0.02
Output  | 5.1557e-05 | 5.1557e-05 | 5.1557e-05 |   0.0 |  0.00
Modify  | 14.133     | 14.133     | 14.133     |   0.0 |  9.83
Other   |            | 0.01025    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7728 ave        7728 max        7728 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461721 ave      461721 max      461721 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461721
Ave neighs/atom = 230.8605
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.876106223269, Press = 0.401451899290718
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    105000  -71853.986     -3115.8837     -73557.989     -3189.7763      285.97179      285.97179      40471.772      40471.772      237.69681      240.8463     
    106000  -71787.127     -3112.9844     -73542.813     -3189.1182      294.64533      294.64533      40482.986      40482.986      236.92734      240.06662    
Loop time of 143.556 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.602 ns/day, 39.877 hours/ns, 6.966 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    | 128.16     | 128.16     | 128.16     |   0.0 | 89.28
Neigh   | 1.2358     | 1.2358     | 1.2358     |   0.0 |  0.86
Comm    | 0.033137   | 0.033137   | 0.033137   |   0.0 |  0.02
Output  | 5.0375e-05 | 5.0375e-05 | 5.0375e-05 |   0.0 |  0.00
Modify  | 14.115     | 14.115     | 14.115     |   0.0 |  9.83
Other   |            | 0.01024    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7683 ave        7683 max        7683 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461184 ave      461184 max      461184 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461184
Ave neighs/atom = 230.592
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.869897628173, Press = 0.0200645323168237
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    106000  -71787.127     -3112.9844     -73542.813     -3189.1182      294.64533      294.64533      40482.986      40482.986      236.92734      240.06662    
    107000  -71767.441     -3112.1308     -73556.828     -3189.7259      300.30134      300.30134      40594.505      40594.505     -276.19617     -279.85577    
Loop time of 143.722 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.923 hours/ns, 6.958 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    | 128.31     | 128.31     | 128.31     |   0.0 | 89.28
Neigh   | 1.2356     | 1.2356     | 1.2356     |   0.0 |  0.86
Comm    | 0.033232   | 0.033232   | 0.033232   |   0.0 |  0.02
Output  | 4.2871e-05 | 4.2871e-05 | 4.2871e-05 |   0.0 |  0.00
Modify  | 14.131     | 14.131     | 14.131     |   0.0 |  9.83
Other   |            | 0.01025    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7712 ave        7712 max        7712 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460317 ave      460317 max      460317 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460317
Ave neighs/atom = 230.1585
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.866148237069, Press = 0.271782281058421
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    107000  -71767.441     -3112.1308     -73556.828     -3189.7259      300.30134      300.30134      40594.505      40594.505     -276.19617     -279.85577    
    108000  -71718.766     -3110.02       -73494.53      -3187.0244      298.01498      298.01498      40345.277      40345.277      753.76202      763.74936    
Loop time of 143.84 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.956 hours/ns, 6.952 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    | 128.46     | 128.46     | 128.46     |   0.0 | 89.30
Neigh   | 1.2362     | 1.2362     | 1.2362     |   0.0 |  0.86
Comm    | 0.033176   | 0.033176   | 0.033176   |   0.0 |  0.02
Output  | 5.6447e-05 | 5.6447e-05 | 5.6447e-05 |   0.0 |  0.00
Modify  | 14.104     | 14.104     | 14.104     |   0.0 |  9.81
Other   |            | 0.01023    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7807 ave        7807 max        7807 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         463344 ave      463344 max      463344 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 463344
Ave neighs/atom = 231.672
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.865511487047, Press = 0.214898344541254
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    108000  -71718.766     -3110.02       -73494.53      -3187.0244      298.01498      298.01498      40345.277      40345.277      753.76202      763.74936    
    109000  -71802.079     -3113.6328     -73532.975     -3188.6915      290.48502      290.48502      40737.751      40737.751     -880.00832     -891.66843    
Loop time of 143.767 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.935 hours/ns, 6.956 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    | 128.41     | 128.41     | 128.41     |   0.0 | 89.32
Neigh   | 1.1775     | 1.1775     | 1.1775     |   0.0 |  0.82
Comm    | 0.033047   | 0.033047   | 0.033047   |   0.0 |  0.02
Output  | 4.9924e-05 | 4.9924e-05 | 4.9924e-05 |   0.0 |  0.00
Modify  | 14.139     | 14.139     | 14.139     |   0.0 |  9.83
Other   |            | 0.01032    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7682 ave        7682 max        7682 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         458933 ave      458933 max      458933 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 458933
Ave neighs/atom = 229.4665
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.86715483437, Press = -0.229904673675103
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    109000  -71802.079     -3113.6328     -73532.975     -3188.6915      290.48502      290.48502      40737.751      40737.751     -880.00832     -891.66843    
    110000  -71758.674     -3111.7506     -73508.06      -3187.6112      293.58831      293.58831      40458.228      40458.228      250.73808      254.06036    
Loop time of 143.762 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.934 hours/ns, 6.956 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    | 128.39     | 128.39     | 128.39     |   0.0 | 89.31
Neigh   | 1.1782     | 1.1782     | 1.1782     |   0.0 |  0.82
Comm    | 0.033012   | 0.033012   | 0.033012   |   0.0 |  0.02
Output  | 5.1387e-05 | 5.1387e-05 | 5.1387e-05 |   0.0 |  0.00
Modify  | 14.147     | 14.147     | 14.147     |   0.0 |  9.84
Other   |            | 0.01034    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7793 ave        7793 max        7793 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461643 ave      461643 max      461643 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461643
Ave neighs/atom = 230.8215
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.850787084153, Press = 0.43260001635627
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    110000  -71758.674     -3111.7506     -73508.06      -3187.6112      293.58831      293.58831      40458.228      40458.228      250.73808      254.06036    
    111000  -71759.634     -3111.7922     -73529.419     -3188.5373      297.01156      297.01156      40522.375      40522.375      159.36338      161.47494    
Loop time of 143.402 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.603 ns/day, 39.834 hours/ns, 6.973 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    | 128.14     | 128.14     | 128.14     |   0.0 | 89.36
Neigh   | 1.1168     | 1.1168     | 1.1168     |   0.0 |  0.78
Comm    | 0.032959   | 0.032959   | 0.032959   |   0.0 |  0.02
Output  | 5.1467e-05 | 5.1467e-05 | 5.1467e-05 |   0.0 |  0.00
Modify  | 14.099     | 14.099     | 14.099     |   0.0 |  9.83
Other   |            | 0.01019    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7737 ave        7737 max        7737 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460442 ave      460442 max      460442 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460442
Ave neighs/atom = 230.221
Neighbor list builds = 19
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.847737904261, Press = -0.0741623688052939
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    111000  -71759.634     -3111.7922     -73529.419     -3188.5373      297.01156      297.01156      40522.375      40522.375      159.36338      161.47494    
    112000  -71744.853     -3111.1513     -73473.039     -3186.0925      290.03022      290.03022      40570.188      40570.188     -295.67589     -299.5936     
Loop time of 143.93 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 39.981 hours/ns, 6.948 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    | 128.58     | 128.58     | 128.58     |   0.0 | 89.33
Neigh   | 1.1788     | 1.1788     | 1.1788     |   0.0 |  0.82
Comm    | 0.033118   | 0.033118   | 0.033118   |   0.0 |  0.02
Output  | 4.3632e-05 | 4.3632e-05 | 4.3632e-05 |   0.0 |  0.00
Modify  | 14.133     | 14.133     | 14.133     |   0.0 |  9.82
Other   |            | 0.01022    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7716 ave        7716 max        7716 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461407 ave      461407 max      461407 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461407
Ave neighs/atom = 230.7035
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.848003731429, Press = 0.181975592864362
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    112000  -71744.853     -3111.1513     -73473.039     -3186.0925      290.03022      290.03022      40570.188      40570.188     -295.67589     -299.5936     
    113000  -71785.266     -3112.9037     -73547.258     -3189.3109      295.70372      295.70372      40415.51       40415.51       421.62601      427.21255    
Loop time of 144.03 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 40.008 hours/ns, 6.943 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    | 128.67     | 128.67     | 128.67     |   0.0 | 89.33
Neigh   | 1.1777     | 1.1777     | 1.1777     |   0.0 |  0.82
Comm    | 0.033098   | 0.033098   | 0.033098   |   0.0 |  0.02
Output  | 5.1577e-05 | 5.1577e-05 | 5.1577e-05 |   0.0 |  0.00
Modify  | 14.141     | 14.141     | 14.141     |   0.0 |  9.82
Other   |            | 0.01013    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7728 ave        7728 max        7728 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462251 ave      462251 max      462251 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462251
Ave neighs/atom = 231.1255
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.858304597816, Press = 0.181990819574762
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    113000  -71785.266     -3112.9037     -73547.258     -3189.3109      295.70372      295.70372      40415.51       40415.51       421.62601      427.21255    
    114000  -71739.729     -3110.9291     -73520.457     -3188.1487      298.84813      298.84813      40730.241      40730.241     -899.29582     -911.21149    
Loop time of 144.003 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 40.001 hours/ns, 6.944 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    | 128.57     | 128.57     | 128.57     |   0.0 | 89.29
Neigh   | 1.2386     | 1.2386     | 1.2386     |   0.0 |  0.86
Comm    | 0.033164   | 0.033164   | 0.033164   |   0.0 |  0.02
Output  | 4.9754e-05 | 4.9754e-05 | 4.9754e-05 |   0.0 |  0.00
Modify  | 14.147     | 14.147     | 14.147     |   0.0 |  9.82
Other   |            | 0.01021    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7685 ave        7685 max        7685 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459048 ave      459048 max      459048 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459048
Ave neighs/atom = 229.524
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.850913588024, Press = -0.0846919167077784
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    114000  -71739.729     -3110.9291     -73520.457     -3188.1487      298.84813      298.84813      40730.241      40730.241     -899.29582     -911.21149    
    115000  -71743.57      -3111.0956     -73497.183     -3187.1395      294.29756      294.29756      40396.838      40396.838      447.8203       453.75392    
Loop time of 144.105 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 40.029 hours/ns, 6.939 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    | 128.68     | 128.68     | 128.68     |   0.0 | 89.30
Neigh   | 1.2385     | 1.2385     | 1.2385     |   0.0 |  0.86
Comm    | 0.033048   | 0.033048   | 0.033048   |   0.0 |  0.02
Output  | 5.1056e-05 | 5.1056e-05 | 5.1056e-05 |   0.0 |  0.00
Modify  | 14.144     | 14.144     | 14.144     |   0.0 |  9.81
Other   |            | 0.01011    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7869 ave        7869 max        7869 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462749 ave      462749 max      462749 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462749
Ave neighs/atom = 231.3745
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.861740021795, Press = 0.424937868465548
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    115000  -71743.57      -3111.0956     -73497.183     -3187.1395      294.29756      294.29756      40396.838      40396.838      447.8203       453.75392    
    116000  -71687.642     -3108.6703     -73505.056     -3187.4809      305.00494      305.00494      40559.659      40559.659     -64.78734      -65.645772    
Loop time of 143.794 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.943 hours/ns, 6.954 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    | 128.45     | 128.45     | 128.45     |   0.0 | 89.33
Neigh   | 1.1787     | 1.1787     | 1.1787     |   0.0 |  0.82
Comm    | 0.032927   | 0.032927   | 0.032927   |   0.0 |  0.02
Output  | 6.0353e-05 | 6.0353e-05 | 6.0353e-05 |   0.0 |  0.00
Modify  | 14.12      | 14.12      | 14.12      |   0.0 |  9.82
Other   |            | 0.01015    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7756 ave        7756 max        7756 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460233 ave      460233 max      460233 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460233
Ave neighs/atom = 230.1165
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.861383783955, Press = -0.159022000890848
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    116000  -71687.642     -3108.6703     -73505.056     -3187.4809      305.00494      305.00494      40559.659      40559.659     -64.78734      -65.645772    
    117000  -71758.751     -3111.7539     -73521.171     -3188.1797      295.77561      295.77561      40555.542      40555.542     -131.54779     -133.2908     
Loop time of 144.004 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 40.001 hours/ns, 6.944 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    | 128.62     | 128.62     | 128.62     |   0.0 | 89.32
Neigh   | 1.2362     | 1.2362     | 1.2362     |   0.0 |  0.86
Comm    | 0.033234   | 0.033234   | 0.033234   |   0.0 |  0.02
Output  | 4.3582e-05 | 4.3582e-05 | 4.3582e-05 |   0.0 |  0.00
Modify  | 14.105     | 14.105     | 14.105     |   0.0 |  9.80
Other   |            | 0.01015    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7788 ave        7788 max        7788 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460528 ave      460528 max      460528 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460528
Ave neighs/atom = 230.264
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.867014814781, Press = 0.289893577891202
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    117000  -71758.751     -3111.7539     -73521.171     -3188.1797      295.77561      295.77561      40555.542      40555.542     -131.54779     -133.2908     
    118000  -71816.81      -3114.2716     -73587.314     -3191.0479      297.1324       297.1324       40490.31       40490.31       280.87467      284.59626    
Loop time of 143.689 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.914 hours/ns, 6.959 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    | 128.36     | 128.36     | 128.36     |   0.0 | 89.33
Neigh   | 1.1783     | 1.1783     | 1.1783     |   0.0 |  0.82
Comm    | 0.033018   | 0.033018   | 0.033018   |   0.0 |  0.02
Output  | 5.6306e-05 | 5.6306e-05 | 5.6306e-05 |   0.0 |  0.00
Modify  | 14.104     | 14.104     | 14.104     |   0.0 |  9.82
Other   |            | 0.01025    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7772 ave        7772 max        7772 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460272 ave      460272 max      460272 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460272
Ave neighs/atom = 230.136
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.872115935077, Press = 0.042697823020201
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    118000  -71816.81      -3114.2716     -73587.314     -3191.0479      297.1324       297.1324       40490.31       40490.31       280.87467      284.59626    
    119000  -71721.001     -3110.117      -73444.934     -3184.8737      289.31651      289.31651      40541.901      40541.901     -220.36664     -223.28649    
Loop time of 143.816 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.949 hours/ns, 6.953 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    | 128.41     | 128.41     | 128.41     |   0.0 | 89.29
Neigh   | 1.2379     | 1.2379     | 1.2379     |   0.0 |  0.86
Comm    | 0.033121   | 0.033121   | 0.033121   |   0.0 |  0.02
Output  | 6.1606e-05 | 6.1606e-05 | 6.1606e-05 |   0.0 |  0.00
Modify  | 14.121     | 14.121     | 14.121     |   0.0 |  9.82
Other   |            | 0.01006    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7742 ave        7742 max        7742 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460706 ave      460706 max      460706 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460706
Ave neighs/atom = 230.353
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.869936306058, Press = 0.117477279989899
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    119000  -71721.001     -3110.117      -73444.934     -3184.8737      289.31651      289.31651      40541.901      40541.901     -220.36664     -223.28649    
    120000  -71793.864     -3113.2766     -73523.451     -3188.2786      290.26551      290.26551      40488.265      40488.265      126.86208      128.543      
Loop time of 143.934 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.600 ns/day, 39.982 hours/ns, 6.948 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    | 128.56     | 128.56     | 128.56     |   0.0 | 89.32
Neigh   | 1.2335     | 1.2335     | 1.2335     |   0.0 |  0.86
Comm    | 0.033171   | 0.033171   | 0.033171   |   0.0 |  0.02
Output  | 6.0845e-05 | 6.0845e-05 | 6.0845e-05 |   0.0 |  0.00
Modify  | 14.099     | 14.099     | 14.099     |   0.0 |  9.80
Other   |            | 0.01019    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7763 ave        7763 max        7763 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460790 ave      460790 max      460790 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460790
Ave neighs/atom = 230.395
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.866059246924, Press = 0.14173626438273
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    120000  -71793.864     -3113.2766     -73523.451     -3188.2786      290.26551      290.26551      40488.265      40488.265      126.86208      128.543      
    121000  -71756.43      -3111.6533     -73492.611     -3186.9412      291.37194      291.37194      40569.47       40569.47      -233.87523     -236.97408    
Loop time of 143.822 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.950 hours/ns, 6.953 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    | 128.53     | 128.53     | 128.53     |   0.0 | 89.37
Neigh   | 1.1202     | 1.1202     | 1.1202     |   0.0 |  0.78
Comm    | 0.032984   | 0.032984   | 0.032984   |   0.0 |  0.02
Output  | 4.8852e-05 | 4.8852e-05 | 4.8852e-05 |   0.0 |  0.00
Modify  | 14.127     | 14.127     | 14.127     |   0.0 |  9.82
Other   |            | 0.01017    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7749 ave        7749 max        7749 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459998 ave      459998 max      459998 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459998
Ave neighs/atom = 229.999
Neighbor list builds = 19
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.859916408028, Press = 0.000501126971058242
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    121000  -71756.43      -3111.6533     -73492.611     -3186.9412      291.37194      291.37194      40569.47       40569.47      -233.87523     -236.97408    
    122000  -71867.147     -3116.4544     -73553.027     -3189.5611      282.9303       282.9303       40481.875      40481.875      0.84853317     0.85977624   
Loop time of 143.804 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.946 hours/ns, 6.954 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    | 128.45     | 128.45     | 128.45     |   0.0 | 89.33
Neigh   | 1.18       | 1.18       | 1.18       |   0.0 |  0.82
Comm    | 0.033071   | 0.033071   | 0.033071   |   0.0 |  0.02
Output  | 4.23e-05   | 4.23e-05   | 4.23e-05   |   0.0 |  0.00
Modify  | 14.126     | 14.126     | 14.126     |   0.0 |  9.82
Other   |            | 0.0102     |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7767 ave        7767 max        7767 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460481 ave      460481 max      460481 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460481
Ave neighs/atom = 230.2405
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.845106859282, Press = 0.185192532962989
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    122000  -71867.147     -3116.4544     -73553.027     -3189.5611      282.9303       282.9303       40481.875      40481.875      0.84853318     0.85977625   
    123000  -71727.516     -3110.3995     -73487.122     -3186.7032      295.30331      295.30331      40556.872      40556.872     -186.59902     -189.07146    
Loop time of 143.809 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.601 ns/day, 39.947 hours/ns, 6.954 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    | 128.47     | 128.47     | 128.47     |   0.0 | 89.34
Neigh   | 1.1779     | 1.1779     | 1.1779     |   0.0 |  0.82
Comm    | 0.032999   | 0.032999   | 0.032999   |   0.0 |  0.02
Output  | 5.4823e-05 | 5.4823e-05 | 5.4823e-05 |   0.0 |  0.00
Modify  | 14.115     | 14.115     | 14.115     |   0.0 |  9.82
Other   |            | 0.01008    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7718 ave        7718 max        7718 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459780 ave      459780 max      459780 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459780
Ave neighs/atom = 229.89
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.836909276729, Press = -0.231750672720034
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    123000  -71727.516     -3110.3995     -73487.122     -3186.7032      295.30331      295.30331      40556.872      40556.872     -186.59902     -189.07146    
    124000  -71734.419     -3110.6988     -73524.656     -3188.3308      300.44396      300.44396      40564.298      40564.298     -194.67676     -197.25623    
Loop time of 148.416 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.582 ns/day, 41.227 hours/ns, 6.738 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    | 132.92     | 132.92     | 132.92     |   0.0 | 89.56
Neigh   | 1.238      | 1.238      | 1.238      |   0.0 |  0.83
Comm    | 0.033568   | 0.033568   | 0.033568   |   0.0 |  0.02
Output  | 5.0595e-05 | 5.0595e-05 | 5.0595e-05 |   0.0 |  0.00
Modify  | 14.213     | 14.213     | 14.213     |   0.0 |  9.58
Other   |            | 0.01048    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7680 ave        7680 max        7680 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460430 ave      460430 max      460430 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460430
Ave neighs/atom = 230.215
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.828875257918, Press = 0.544035625574346
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    124000  -71734.419     -3110.6988     -73524.656     -3188.3308      300.44396      300.44396      40564.298      40564.298     -194.67676     -197.25623    
    125000  -71790.503     -3113.1308     -73533.048     -3188.6948      292.44012      292.44012      40405.84       40405.84       539.71041      546.86158    
Loop time of 142.93 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.703 hours/ns, 6.996 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    | 127.52     | 127.52     | 127.52     |   0.0 | 89.22
Neigh   | 1.2387     | 1.2387     | 1.2387     |   0.0 |  0.87
Comm    | 0.032605   | 0.032605   | 0.032605   |   0.0 |  0.02
Output  | 8.1143e-05 | 8.1143e-05 | 8.1143e-05 |   0.0 |  0.00
Modify  | 14.125     | 14.125     | 14.125     |   0.0 |  9.88
Other   |            | 0.01017    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7743 ave        7743 max        7743 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461850 ave      461850 max      461850 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461850
Ave neighs/atom = 230.925
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.848010140441, Press = -0.057495732941224
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    125000  -71790.503     -3113.1308     -73533.048     -3188.6948      292.44012      292.44012      40405.84       40405.84       539.71041      546.86158    
    126000  -71801.217     -3113.5954     -73510.001     -3187.6953      286.77421      286.77421      40600.575      40600.575     -411.88659     -417.34408    
Loop time of 142.89 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.692 hours/ns, 6.998 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    | 127.58     | 127.58     | 127.58     |   0.0 | 89.28
Neigh   | 1.1178     | 1.1178     | 1.1178     |   0.0 |  0.78
Comm    | 0.032309   | 0.032309   | 0.032309   |   0.0 |  0.02
Output  | 5.0385e-05 | 5.0385e-05 | 5.0385e-05 |   0.0 |  0.00
Modify  | 14.152     | 14.152     | 14.152     |   0.0 |  9.90
Other   |            | 0.0102     |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7614 ave        7614 max        7614 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459962 ave      459962 max      459962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459962
Ave neighs/atom = 229.981
Neighbor list builds = 19
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.865486478747, Press = 0.0767937847716968
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    126000  -71801.217     -3113.5954     -73510.001     -3187.6953      286.77421      286.77421      40600.575      40600.575     -411.88659     -417.34408    
    127000  -71726.717     -3110.3648     -73489.339     -3186.7993      295.80951      295.80951      40491.931      40491.931      75.963672      76.970191    
Loop time of 143.069 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.742 hours/ns, 6.990 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    | 127.71     | 127.71     | 127.71     |   0.0 | 89.26
Neigh   | 1.1788     | 1.1788     | 1.1788     |   0.0 |  0.82
Comm    | 0.032429   | 0.032429   | 0.032429   |   0.0 |  0.02
Output  | 5.0415e-05 | 5.0415e-05 | 5.0415e-05 |   0.0 |  0.00
Modify  | 14.143     | 14.143     | 14.143     |   0.0 |  9.89
Other   |            | 0.01009    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7758 ave        7758 max        7758 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461598 ave      461598 max      461598 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461598
Ave neighs/atom = 230.799
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.889817742611, Press = 0.0552058325706973
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    127000  -71726.717     -3110.3648     -73489.339     -3186.7993      295.80951      295.80951      40491.931      40491.931      75.963672      76.970191    
    128000  -71769.164     -3112.2055     -73480.186     -3186.4024      287.14986      287.14986      40507.182      40507.182     -37.570986     -38.068801    
Loop time of 142.907 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.697 hours/ns, 6.998 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    | 127.62     | 127.62     | 127.62     |   0.0 | 89.30
Neigh   | 1.1203     | 1.1203     | 1.1203     |   0.0 |  0.78
Comm    | 0.032297   | 0.032297   | 0.032297   |   0.0 |  0.02
Output  | 5.2298e-05 | 5.2298e-05 | 5.2298e-05 |   0.0 |  0.00
Modify  | 14.125     | 14.125     | 14.125     |   0.0 |  9.88
Other   |            | 0.00997    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7744 ave        7744 max        7744 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460809 ave      460809 max      460809 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460809
Ave neighs/atom = 230.4045
Neighbor list builds = 19
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.898716022724, Press = 0.0464729860230135
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    128000  -71769.164     -3112.2055     -73480.186     -3186.4024      287.14986      287.14986      40507.182      40507.182     -37.570986     -38.068801    
    129000  -71785.584     -3112.9175     -73509.189     -3187.6601      289.26143      289.26143      40541.556      40541.556     -284.66944     -288.44131    
Loop time of 143.005 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.724 hours/ns, 6.993 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    | 127.66     | 127.66     | 127.66     |   0.0 | 89.27
Neigh   | 1.1788     | 1.1788     | 1.1788     |   0.0 |  0.82
Comm    | 0.032079   | 0.032079   | 0.032079   |   0.0 |  0.02
Output  | 3.9093e-05 | 3.9093e-05 | 3.9093e-05 |   0.0 |  0.00
Modify  | 14.126     | 14.126     | 14.126     |   0.0 |  9.88
Other   |            | 0.009711   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7744 ave        7744 max        7744 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461383 ave      461383 max      461383 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461383
Ave neighs/atom = 230.6915
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.90724957271, Press = 0.0345862600110676
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    129000  -71785.584     -3112.9175     -73509.189     -3187.6601      289.26143      289.26143      40541.556      40541.556     -284.66944     -288.44131    
    130000  -71674.238     -3108.0891     -73456.678     -3185.383       299.13554      299.13554      40478.448      40478.448      22.383396      22.679976    
Loop time of 143.255 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.603 ns/day, 39.793 hours/ns, 6.981 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    | 127.84     | 127.84     | 127.84     |   0.0 | 89.24
Neigh   | 1.2427     | 1.2427     | 1.2427     |   0.0 |  0.87
Comm    | 0.032229   | 0.032229   | 0.032229   |   0.0 |  0.02
Output  | 4.7009e-05 | 4.7009e-05 | 4.7009e-05 |   0.0 |  0.00
Modify  | 14.13      | 14.13      | 14.13      |   0.0 |  9.86
Other   |            | 0.009482   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7754 ave        7754 max        7754 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461989 ave      461989 max      461989 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461989
Ave neighs/atom = 230.9945
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.920140566137, Press = 0.0611011793882646
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    130000  -71674.238     -3108.0891     -73456.678     -3185.383       299.13554      299.13554      40478.448      40478.448      22.383396      22.679976    
    131000  -71800.018     -3113.5434     -73540.056     -3188.9986      292.01935      292.01935      40571.209      40571.209     -256.37309     -259.77003    
Loop time of 143.038 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.733 hours/ns, 6.991 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    | 127.64     | 127.64     | 127.64     |   0.0 | 89.23
Neigh   | 1.2382     | 1.2382     | 1.2382     |   0.0 |  0.87
Comm    | 0.032171   | 0.032171   | 0.032171   |   0.0 |  0.02
Output  | 4.6497e-05 | 4.6497e-05 | 4.6497e-05 |   0.0 |  0.00
Modify  | 14.12      | 14.12      | 14.12      |   0.0 |  9.87
Other   |            | 0.00947    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7690 ave        7690 max        7690 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460782 ave      460782 max      460782 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460782
Ave neighs/atom = 230.391
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.928289202599, Press = -0.0230031002918964
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    131000  -71800.018     -3113.5434     -73540.056     -3188.9986      292.01935      292.01935      40571.209      40571.209     -256.37309     -259.77003    
    132000  -71823.22      -3114.5496     -73562.142     -3189.9564      291.83205      291.83205      40503.834      40503.834      15.481585      15.686716    
Loop time of 142.92 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.700 hours/ns, 6.997 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    | 127.6      | 127.6      | 127.6      |   0.0 | 89.28
Neigh   | 1.1796     | 1.1796     | 1.1796     |   0.0 |  0.83
Comm    | 0.031979   | 0.031979   | 0.031979   |   0.0 |  0.02
Output  | 4.9012e-05 | 4.9012e-05 | 4.9012e-05 |   0.0 |  0.00
Modify  | 14.103     | 14.103     | 14.103     |   0.0 |  9.87
Other   |            | 0.009365   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7784 ave        7784 max        7784 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461791 ave      461791 max      461791 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461791
Ave neighs/atom = 230.8955
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.925369671923, Press = 0.236206800016975
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    132000  -71823.22      -3114.5496     -73562.142     -3189.9564      291.83205      291.83205      40503.834      40503.834      15.481585      15.686716    
    133000  -71764.779     -3112.0153     -73467.967     -3185.8725      285.83506      285.83506      40467.975      40467.975      186.98938      189.46699    
Loop time of 142.734 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.648 hours/ns, 7.006 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    | 127.41     | 127.41     | 127.41     |   0.0 | 89.26
Neigh   | 1.1783     | 1.1783     | 1.1783     |   0.0 |  0.83
Comm    | 0.03196    | 0.03196    | 0.03196    |   0.0 |  0.02
Output  | 4.6948e-05 | 4.6948e-05 | 4.6948e-05 |   0.0 |  0.00
Modify  | 14.109     | 14.109     | 14.109     |   0.0 |  9.88
Other   |            | 0.009417   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7756 ave        7756 max        7756 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461251 ave      461251 max      461251 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461251
Ave neighs/atom = 230.6255
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.907697589379, Press = -0.262965306920152
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    133000  -71764.779     -3112.0153     -73467.967     -3185.8725      285.83506      285.83506      40467.975      40467.975      186.98938      189.46699    
    134000  -71820.989     -3114.4528     -73546.338     -3189.2711      289.55432      289.55432      40655.045      40655.045     -602.35974     -610.34101    
Loop time of 142.972 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.715 hours/ns, 6.994 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    | 127.63     | 127.63     | 127.63     |   0.0 | 89.27
Neigh   | 1.1786     | 1.1786     | 1.1786     |   0.0 |  0.82
Comm    | 0.032021   | 0.032021   | 0.032021   |   0.0 |  0.02
Output  | 4.6908e-05 | 4.6908e-05 | 4.6908e-05 |   0.0 |  0.00
Modify  | 14.124     | 14.124     | 14.124     |   0.0 |  9.88
Other   |            | 0.009415   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7671 ave        7671 max        7671 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460474 ave      460474 max      460474 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460474
Ave neighs/atom = 230.237
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.904138103126, Press = 0.281951680629587
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    134000  -71820.989     -3114.4528     -73546.338     -3189.2711      289.55432      289.55432      40655.045      40655.045     -602.35974     -610.34101    
    135000  -71803.642     -3113.7006     -73538.254     -3188.9205      291.10865      291.10865      40375.32       40375.32       669.12673      677.99266    
Loop time of 142.451 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.607 ns/day, 39.570 hours/ns, 7.020 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    | 127.19     | 127.19     | 127.19     |   0.0 | 89.29
Neigh   | 1.1192     | 1.1192     | 1.1192     |   0.0 |  0.79
Comm    | 0.031837   | 0.031837   | 0.031837   |   0.0 |  0.02
Output  | 5.2989e-05 | 5.2989e-05 | 5.2989e-05 |   0.0 |  0.00
Modify  | 14.096     | 14.096     | 14.096     |   0.0 |  9.90
Other   |            | 0.009451   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7772 ave        7772 max        7772 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462097 ave      462097 max      462097 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462097
Ave neighs/atom = 231.0485
Neighbor list builds = 19
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.883842166332, Press = -0.000825688340097717
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    135000  -71803.642     -3113.7006     -73538.254     -3188.9205      291.10865      291.10865      40375.32       40375.32       669.12673      677.99266    
    136000  -71737.192     -3110.8191     -73484.929     -3186.6081      293.31132      293.31132      40598.511      40598.511     -541.12855     -548.29851    
Loop time of 142.604 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.612 hours/ns, 7.012 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    | 127.3      | 127.3      | 127.3      |   0.0 | 89.27
Neigh   | 1.1767     | 1.1767     | 1.1767     |   0.0 |  0.83
Comm    | 0.032071   | 0.032071   | 0.032071   |   0.0 |  0.02
Output  | 4.8672e-05 | 4.8672e-05 | 4.8672e-05 |   0.0 |  0.00
Modify  | 14.087     | 14.087     | 14.087     |   0.0 |  9.88
Other   |            | 0.009419   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7689 ave        7689 max        7689 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460395 ave      460395 max      460395 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460395
Ave neighs/atom = 230.1975
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.873899863206, Press = -0.0825134635179986
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    136000  -71737.192     -3110.8191     -73484.929     -3186.6081      293.31132      293.31132      40598.511      40598.511     -541.12855     -548.29851    
    137000  -71723.846     -3110.2403     -73465.603     -3185.7701      292.30786      292.30786      40464.446      40464.446      69.837074      70.762415    
Loop time of 143.144 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.762 hours/ns, 6.986 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    | 127.75     | 127.75     | 127.75     |   0.0 | 89.24
Neigh   | 1.2367     | 1.2367     | 1.2367     |   0.0 |  0.86
Comm    | 0.032201   | 0.032201   | 0.032201   |   0.0 |  0.02
Output  | 4.746e-05  | 4.746e-05  | 4.746e-05  |   0.0 |  0.00
Modify  | 14.12      | 14.12      | 14.12      |   0.0 |  9.86
Other   |            | 0.009506   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7716 ave        7716 max        7716 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461798 ave      461798 max      461798 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461798
Ave neighs/atom = 230.899
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.869043399365, Press = 0.225607065821955
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    137000  -71723.846     -3110.2403     -73465.603     -3185.7701      292.30786      292.30786      40464.446      40464.446      69.837074      70.762415    
    138000  -71746.918     -3111.2408     -73519.371     -3188.1016      297.4593       297.4593       40450.131      40450.131      160.48712      162.61358    
Loop time of 142.997 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.721 hours/ns, 6.993 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    | 127.66     | 127.66     | 127.66     |   0.0 | 89.27
Neigh   | 1.1784     | 1.1784     | 1.1784     |   0.0 |  0.82
Comm    | 0.032129   | 0.032129   | 0.032129   |   0.0 |  0.02
Output  | 4.8622e-05 | 4.8622e-05 | 4.8622e-05 |   0.0 |  0.00
Modify  | 14.117     | 14.117     | 14.117     |   0.0 |  9.87
Other   |            | 0.009389   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7819 ave        7819 max        7819 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461901 ave      461901 max      461901 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461901
Ave neighs/atom = 230.9505
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.893700477731, Press = -0.0169217470163643
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    138000  -71746.918     -3111.2408     -73519.371     -3188.1016      297.4593       297.4593       40450.131      40450.131      160.48712      162.61358    
    139000  -71775.177     -3112.4662     -73508.297     -3187.6214      290.85846      290.85846      40535.421      40535.421     -291.99191     -295.8608     
Loop time of 142.939 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.705 hours/ns, 6.996 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    | 127.63     | 127.63     | 127.63     |   0.0 | 89.29
Neigh   | 1.1791     | 1.1791     | 1.1791     |   0.0 |  0.82
Comm    | 0.032239   | 0.032239   | 0.032239   |   0.0 |  0.02
Output  | 4.782e-05  | 4.782e-05  | 4.782e-05  |   0.0 |  0.00
Modify  | 14.09      | 14.09      | 14.09      |   0.0 |  9.86
Other   |            | 0.009582   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7749 ave        7749 max        7749 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461108 ave      461108 max      461108 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461108
Ave neighs/atom = 230.554
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.893427647311, Press = -0.0309679317265733
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    139000  -71775.177     -3112.4662     -73508.297     -3187.6214      290.85846      290.85846      40535.421      40535.421     -291.99191     -295.8608     
    140000  -71820.746     -3114.4423     -73548.001     -3189.3432      289.87402      289.87402      40560.395      40560.395     -343.34904     -347.89842    
Loop time of 143.041 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.734 hours/ns, 6.991 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    | 127.71     | 127.71     | 127.71     |   0.0 | 89.28
Neigh   | 1.18       | 1.18       | 1.18       |   0.0 |  0.82
Comm    | 0.032087   | 0.032087   | 0.032087   |   0.0 |  0.02
Output  | 4.7018e-05 | 4.7018e-05 | 4.7018e-05 |   0.0 |  0.00
Modify  | 14.11      | 14.11      | 14.11      |   0.0 |  9.86
Other   |            | 0.00947    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7759 ave        7759 max        7759 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460578 ave      460578 max      460578 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460578
Ave neighs/atom = 230.289
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.890230994323, Press = 0.0684993199020613
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    140000  -71820.746     -3114.4423     -73548.001     -3189.3432      289.87402      289.87402      40560.395      40560.395     -343.34904     -347.89842    
    141000  -71792.811     -3113.2309     -73514.53      -3187.8917      288.94494      288.94494      40419.089      40419.089      281.46658      285.19602    
Loop time of 142.858 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.683 hours/ns, 7.000 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    | 127.54     | 127.54     | 127.54     |   0.0 | 89.28
Neigh   | 1.1782     | 1.1782     | 1.1782     |   0.0 |  0.82
Comm    | 0.032148   | 0.032148   | 0.032148   |   0.0 |  0.02
Output  | 5.5124e-05 | 5.5124e-05 | 5.5124e-05 |   0.0 |  0.00
Modify  | 14.096     | 14.096     | 14.096     |   0.0 |  9.87
Other   |            | 0.009474   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7773 ave        7773 max        7773 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461516 ave      461516 max      461516 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461516
Ave neighs/atom = 230.758
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.866183522054, Press = -0.0153462731595433
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    141000  -71792.811     -3113.2309     -73514.53      -3187.8917      288.94494      288.94494      40419.089      40419.089      281.46658      285.19602    
    142000  -71732.335     -3110.6084     -73487.459     -3186.7178      294.55112      294.55112      40602.812      40602.812     -339.26569     -343.76096    
Loop time of 142.945 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.707 hours/ns, 6.996 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    | 127.62     | 127.62     | 127.62     |   0.0 | 89.28
Neigh   | 1.1784     | 1.1784     | 1.1784     |   0.0 |  0.82
Comm    | 0.032195   | 0.032195   | 0.032195   |   0.0 |  0.02
Output  | 4.6989e-05 | 4.6989e-05 | 4.6989e-05 |   0.0 |  0.00
Modify  | 14.11      | 14.11      | 14.11      |   0.0 |  9.87
Other   |            | 0.009468   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7724 ave        7724 max        7724 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460293 ave      460293 max      460293 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460293
Ave neighs/atom = 230.1465
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.854418096391, Press = 0.0239029058079278
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    142000  -71732.335     -3110.6084     -73487.459     -3186.7178      294.55112      294.55112      40602.812      40602.812     -339.26569     -343.76096    
    143000  -71811.992     -3114.0627     -73560.37      -3189.8795      293.41894      293.41894      40337.356      40337.356      826.00216      836.94668    
Loop time of 142.721 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.645 hours/ns, 7.007 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    | 127.34     | 127.34     | 127.34     |   0.0 | 89.22
Neigh   | 1.2362     | 1.2362     | 1.2362     |   0.0 |  0.87
Comm    | 0.032212   | 0.032212   | 0.032212   |   0.0 |  0.02
Output  | 4.8732e-05 | 4.8732e-05 | 4.8732e-05 |   0.0 |  0.00
Modify  | 14.102     | 14.102     | 14.102     |   0.0 |  9.88
Other   |            | 0.00947    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7816 ave        7816 max        7816 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462514 ave      462514 max      462514 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462514
Ave neighs/atom = 231.257
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.855712880716, Press = 0.027442961155558
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    143000  -71811.992     -3114.0627     -73560.37      -3189.8795      293.41894      293.41894      40337.356      40337.356      826.00216      836.94668    
    144000  -71751.836     -3111.4541     -73517.439     -3188.0178      296.30969      296.30969      40649.066      40649.066     -602.97157     -610.96094    
Loop time of 142.842 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.678 hours/ns, 7.001 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    | 127.47     | 127.47     | 127.47     |   0.0 | 89.24
Neigh   | 1.2334     | 1.2334     | 1.2334     |   0.0 |  0.86
Comm    | 0.032169   | 0.032169   | 0.032169   |   0.0 |  0.02
Output  | 4.6568e-05 | 4.6568e-05 | 4.6568e-05 |   0.0 |  0.00
Modify  | 14.099     | 14.099     | 14.099     |   0.0 |  9.87
Other   |            | 0.009551   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7683 ave        7683 max        7683 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459500 ave      459500 max      459500 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459500
Ave neighs/atom = 229.75
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.859791859052, Press = -0.173408719387002
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    144000  -71751.836     -3111.4541     -73517.439     -3188.0178      296.30969      296.30969      40649.066      40649.066     -602.97157     -610.96094    
    145000  -71848.928     -3115.6644     -73511.049     -3187.7408      278.94316      278.94316      40491.344      40491.344      89.776259      90.965794    
Loop time of 142.727 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.646 hours/ns, 7.006 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    | 127.4      | 127.4      | 127.4      |   0.0 | 89.26
Neigh   | 1.179      | 1.179      | 1.179      |   0.0 |  0.83
Comm    | 0.032163   | 0.032163   | 0.032163   |   0.0 |  0.02
Output  | 4.7219e-05 | 4.7219e-05 | 4.7219e-05 |   0.0 |  0.00
Modify  | 14.106     | 14.106     | 14.106     |   0.0 |  9.88
Other   |            | 0.009577   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7759 ave        7759 max        7759 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460955 ave      460955 max      460955 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460955
Ave neighs/atom = 230.4775
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.84658028692, Press = 0.212388897454038
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    145000  -71848.928     -3115.6644     -73511.049     -3187.7408      278.94316      278.94316      40491.344      40491.344      89.776259      90.965794    
    146000  -71722.947     -3110.2013     -73464.944     -3185.7415      292.3482       292.3482       40490.708      40490.708      145.35927      147.28528    
Loop time of 142.527 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.591 hours/ns, 7.016 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    | 127.27     | 127.27     | 127.27     |   0.0 | 89.30
Neigh   | 1.1159     | 1.1159     | 1.1159     |   0.0 |  0.78
Comm    | 0.032027   | 0.032027   | 0.032027   |   0.0 |  0.02
Output  | 4.9864e-05 | 4.9864e-05 | 4.9864e-05 |   0.0 |  0.00
Modify  | 14.095     | 14.095     | 14.095     |   0.0 |  9.89
Other   |            | 0.009516   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7807 ave        7807 max        7807 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461322 ave      461322 max      461322 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461322
Ave neighs/atom = 230.661
Neighbor list builds = 19
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.841418024627, Press = -0.0049022265629318
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    146000  -71722.947     -3110.2013     -73464.944     -3185.7415      292.3482       292.3482       40490.708      40490.708      145.35927      147.28528    
    147000  -71788.545     -3113.0459     -73536.858     -3188.8599      293.40814      293.40814      40516.606      40516.606      61.749442      62.567623    
Loop time of 142.797 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.666 hours/ns, 7.003 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    | 127.42     | 127.42     | 127.42     |   0.0 | 89.23
Neigh   | 1.2355     | 1.2355     | 1.2355     |   0.0 |  0.87
Comm    | 0.032278   | 0.032278   | 0.032278   |   0.0 |  0.02
Output  | 5.0244e-05 | 5.0244e-05 | 5.0244e-05 |   0.0 |  0.00
Modify  | 14.101     | 14.101     | 14.101     |   0.0 |  9.87
Other   |            | 0.009463   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7752 ave        7752 max        7752 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460956 ave      460956 max      460956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460956
Ave neighs/atom = 230.478
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.838779846752, Press = -0.0134722496176923
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    147000  -71788.545     -3113.0459     -73536.858     -3188.8599      293.40814      293.40814      40516.606      40516.606      61.749442      62.567623    
    148000  -71662.293     -3107.5711     -73422.006     -3183.8795      295.32122      295.32122      40551.765      40551.765     -371.72882     -376.65422    
Loop time of 142.875 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.687 hours/ns, 6.999 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    | 127.49     | 127.49     | 127.49     |   0.0 | 89.23
Neigh   | 1.2364     | 1.2364     | 1.2364     |   0.0 |  0.87
Comm    | 0.032248   | 0.032248   | 0.032248   |   0.0 |  0.02
Output  | 4.6919e-05 | 4.6919e-05 | 4.6919e-05 |   0.0 |  0.00
Modify  | 14.108     | 14.108     | 14.108     |   0.0 |  9.87
Other   |            | 0.00949    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7770 ave        7770 max        7770 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461801 ave      461801 max      461801 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461801
Ave neighs/atom = 230.9005
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.849055447999, Press = -0.0119682052028574
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    148000  -71662.293     -3107.5711     -73422.006     -3183.8795      295.32122      295.32122      40551.765      40551.765     -371.72882     -376.65422    
    149000  -71805         -3113.7595     -73530.188     -3188.5707      289.52715      289.52715      40539.499      40539.499     -210.62532     -213.41611    
Loop time of 143.193 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.603 ns/day, 39.776 hours/ns, 6.984 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    | 127.81     | 127.81     | 127.81     |   0.0 | 89.25
Neigh   | 1.2346     | 1.2346     | 1.2346     |   0.0 |  0.86
Comm    | 0.032144   | 0.032144   | 0.032144   |   0.0 |  0.02
Output  | 4.6477e-05 | 4.6477e-05 | 4.6477e-05 |   0.0 |  0.00
Modify  | 14.112     | 14.112     | 14.112     |   0.0 |  9.85
Other   |            | 0.009481   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7813 ave        7813 max        7813 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461021 ave      461021 max      461021 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461021
Ave neighs/atom = 230.5105
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.867767080569, Press = 0.156633090483208
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    149000  -71805         -3113.7595     -73530.188     -3188.5707      289.52715      289.52715      40539.499      40539.499     -210.62532     -213.41611    
    150000  -71734.681     -3110.7102     -73467.34      -3185.8454      290.78092      290.78092      40390.623      40390.623      430.28029      435.98151    
Loop time of 142.759 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.655 hours/ns, 7.005 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    | 127.39     | 127.39     | 127.39     |   0.0 | 89.23
Neigh   | 1.2314     | 1.2314     | 1.2314     |   0.0 |  0.86
Comm    | 0.032249   | 0.032249   | 0.032249   |   0.0 |  0.02
Output  | 4.9553e-05 | 4.9553e-05 | 4.9553e-05 |   0.0 |  0.00
Modify  | 14.1       | 14.1       | 14.1       |   0.0 |  9.88
Other   |            | 0.009533   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7838 ave        7838 max        7838 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462565 ave      462565 max      462565 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462565
Ave neighs/atom = 231.2825
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.876787027205, Press = -0.0764999249794342
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    150000  -71734.681     -3110.7102     -73467.34      -3185.8454      290.78092      290.78092      40390.623      40390.623      430.28029      435.98151    
    151000  -71783.697     -3112.8357     -73483.111     -3186.5293      285.20174      285.20174      40704.006      40704.006     -848.34321     -859.58375    
Loop time of 142.732 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.648 hours/ns, 7.006 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    | 127.35     | 127.35     | 127.35     |   0.0 | 89.22
Neigh   | 1.2349     | 1.2349     | 1.2349     |   0.0 |  0.87
Comm    | 0.032307   | 0.032307   | 0.032307   |   0.0 |  0.02
Output  | 4.6587e-05 | 4.6587e-05 | 4.6587e-05 |   0.0 |  0.00
Modify  | 14.108     | 14.108     | 14.108     |   0.0 |  9.88
Other   |            | 0.009465   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7713 ave        7713 max        7713 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459226 ave      459226 max      459226 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459226
Ave neighs/atom = 229.613
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.869505822378, Press = 0.0286301282108783
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    151000  -71783.697     -3112.8357     -73483.111     -3186.5293      285.20174      285.20174      40704.006      40704.006     -848.34321     -859.58375    
    152000  -71768.542     -3112.1785     -73537.235     -3188.8763      296.82833      296.82833      40340.668      40340.668      803.8699       814.52118    
Loop time of 142.44 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.607 ns/day, 39.567 hours/ns, 7.020 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    | 127.13     | 127.13     | 127.13     |   0.0 | 89.25
Neigh   | 1.1756     | 1.1756     | 1.1756     |   0.0 |  0.83
Comm    | 0.031988   | 0.031988   | 0.031988   |   0.0 |  0.02
Output  | 4.7991e-05 | 4.7991e-05 | 4.7991e-05 |   0.0 |  0.00
Modify  | 14.095     | 14.095     | 14.095     |   0.0 |  9.90
Other   |            | 0.009499   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7859 ave        7859 max        7859 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462752 ave      462752 max      462752 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462752
Ave neighs/atom = 231.376
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.851633449616, Press = 0.0786917140160719
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    152000  -71768.542     -3112.1785     -73537.235     -3188.8763      296.82833      296.82833      40340.668      40340.668      803.8699       814.52118    
    153000  -71834.656     -3115.0455     -73556.437     -3189.709       288.9554       288.9554       40635.888      40635.888     -535.36851     -542.46214    
Loop time of 142.387 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.607 ns/day, 39.552 hours/ns, 7.023 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    | 127.07     | 127.07     | 127.07     |   0.0 | 89.25
Neigh   | 1.1731     | 1.1731     | 1.1731     |   0.0 |  0.82
Comm    | 0.032119   | 0.032119   | 0.032119   |   0.0 |  0.02
Output  | 4.6147e-05 | 4.6147e-05 | 4.6147e-05 |   0.0 |  0.00
Modify  | 14.099     | 14.099     | 14.099     |   0.0 |  9.90
Other   |            | 0.009556   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7688 ave        7688 max        7688 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459689 ave      459689 max      459689 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459689
Ave neighs/atom = 229.8445
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.847514838317, Press = -0.117647783429061
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    153000  -71834.656     -3115.0455     -73556.437     -3189.709       288.9554       288.9554       40635.888      40635.888     -535.36851     -542.46214    
    154000  -71759.14      -3111.7708     -73500.903     -3187.3008      292.30889      292.30889      40512.228      40512.228      45.518005      46.121118    
Loop time of 142.579 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.605 hours/ns, 7.014 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    | 127.28     | 127.28     | 127.28     |   0.0 | 89.27
Neigh   | 1.1742     | 1.1742     | 1.1742     |   0.0 |  0.82
Comm    | 0.032005   | 0.032005   | 0.032005   |   0.0 |  0.02
Output  | 4.791e-05  | 4.791e-05  | 4.791e-05  |   0.0 |  0.00
Modify  | 14.083     | 14.083     | 14.083     |   0.0 |  9.88
Other   |            | 0.009522   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7838 ave        7838 max        7838 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461763 ave      461763 max      461763 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461763
Ave neighs/atom = 230.8815
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.850774342957, Press = 0.0409524771297042
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    154000  -71759.14      -3111.7708     -73500.903     -3187.3008      292.30889      292.30889      40512.228      40512.228      45.518005      46.121118    
    155000  -71801.227     -3113.5959     -73532.346     -3188.6643      290.5226       290.5226       40488.355      40488.355      53.849401      54.562906    
Loop time of 142.827 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.674 hours/ns, 7.001 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    | 127.49     | 127.49     | 127.49     |   0.0 | 89.26
Neigh   | 1.2305     | 1.2305     | 1.2305     |   0.0 |  0.86
Comm    | 0.032295   | 0.032295   | 0.032295   |   0.0 |  0.02
Output  | 4.6167e-05 | 4.6167e-05 | 4.6167e-05 |   0.0 |  0.00
Modify  | 14.066     | 14.066     | 14.066     |   0.0 |  9.85
Other   |            | 0.009575   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7774 ave        7774 max        7774 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460842 ave      460842 max      460842 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460842
Ave neighs/atom = 230.421
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.859221252656, Press = 0.0785367091596365
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    155000  -71801.227     -3113.5959     -73532.346     -3188.6643      290.5226       290.5226       40488.355      40488.355      53.849401      54.562906    
    156000  -71760.457     -3111.8279     -73498.376     -3187.1912      291.66367      291.66367      40487.635      40487.635      5.010284       5.0766702    
Loop time of 142.499 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.583 hours/ns, 7.018 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    | 127.19     | 127.19     | 127.19     |   0.0 | 89.25
Neigh   | 1.1749     | 1.1749     | 1.1749     |   0.0 |  0.82
Comm    | 0.032054   | 0.032054   | 0.032054   |   0.0 |  0.02
Output  | 5.838e-05  | 5.838e-05  | 5.838e-05  |   0.0 |  0.00
Modify  | 14.097     | 14.097     | 14.097     |   0.0 |  9.89
Other   |            | 0.009565   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7780 ave        7780 max        7780 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460903 ave      460903 max      460903 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460903
Ave neighs/atom = 230.4515
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.867382466422, Press = -0.141832703456557
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.6 | 248.6 | 248.6 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    156000  -71760.457     -3111.8279     -73498.376     -3187.1912      291.66367      291.66367      40487.635      40487.635      5.010284       5.0766703    
    157000  -71833.926     -3115.0138     -73556.142     -3189.6962      289.02825      289.02825      40748.258      40748.258     -985.04146     -998.09325    
Loop time of 143.065 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.740 hours/ns, 6.990 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    | 127.67     | 127.67     | 127.67     |   0.0 | 89.24
Neigh   | 1.2371     | 1.2371     | 1.2371     |   0.0 |  0.86
Comm    | 0.032221   | 0.032221   | 0.032221   |   0.0 |  0.02
Output  | 4.8892e-05 | 4.8892e-05 | 4.8892e-05 |   0.0 |  0.00
Modify  | 14.12      | 14.12      | 14.12      |   0.0 |  9.87
Other   |            | 0.009503   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7731 ave        7731 max        7731 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459771 ave      459771 max      459771 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459771
Ave neighs/atom = 229.8855
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.868161646401, Press = 0.390865680063978
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 248.5 | 248.5 | 248.5 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    157000  -71833.926     -3115.0138     -73556.142     -3189.6962      289.02825      289.02825      40748.258      40748.258     -985.04146     -998.09325    
    158000  -71754.422     -3111.5662     -73466.118     -3185.7924      287.26287      287.26287      40321.702      40321.702      784.32411      794.7164     
Loop time of 142.616 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.616 hours/ns, 7.012 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    | 127.22     | 127.22     | 127.22     |   0.0 | 89.21
Neigh   | 1.2351     | 1.2351     | 1.2351     |   0.0 |  0.87
Comm    | 0.032128   | 0.032128   | 0.032128   |   0.0 |  0.02
Output  | 4.9043e-05 | 4.9043e-05 | 4.9043e-05 |   0.0 |  0.00
Modify  | 14.117     | 14.117     | 14.117     |   0.0 |  9.90
Other   |            | 0.009579   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7840 ave        7840 max        7840 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462838 ave      462838 max      462838 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462838
Ave neighs/atom = 231.419
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.860189502584, Press = -0.033758653061029
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.4 | 249.4 | 249.4 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    158000  -71754.422     -3111.5662     -73466.118     -3185.7924      287.26287      287.26287      40321.702      40321.702      784.32411      794.7164     
    159000  -71844.71      -3115.4815     -73584.477     -3190.9249      291.97389      291.97389      40628.439      40628.439     -439.43552     -445.25804    
Loop time of 142.643 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.623 hours/ns, 7.011 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    | 127.2      | 127.2      | 127.2      |   0.0 | 89.18
Neigh   | 1.2897     | 1.2897     | 1.2897     |   0.0 |  0.90
Comm    | 0.032448   | 0.032448   | 0.032448   |   0.0 |  0.02
Output  | 0.00014224 | 0.00014224 | 0.00014224 |   0.0 |  0.00
Modify  | 14.106     | 14.106     | 14.106     |   0.0 |  9.89
Other   |            | 0.009547   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7698 ave        7698 max        7698 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459347 ave      459347 max      459347 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459347
Ave neighs/atom = 229.6735
Neighbor list builds = 22
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.846316740885, Press = -0.0885307795552785
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    159000  -71844.71      -3115.4815     -73584.477     -3190.9249      291.97389      291.97389      40628.439      40628.439     -439.43552     -445.25804    
    160000  -71752.358     -3111.4767     -73490.215     -3186.8373      291.65325      291.65325      40415.805      40415.805      321.0859       325.34029    
Loop time of 142.507 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.585 hours/ns, 7.017 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    | 127.19     | 127.19     | 127.19     |   0.0 | 89.25
Neigh   | 1.1761     | 1.1761     | 1.1761     |   0.0 |  0.83
Comm    | 0.0321     | 0.0321     | 0.0321     |   0.0 |  0.02
Output  | 5.0675e-05 | 5.0675e-05 | 5.0675e-05 |   0.0 |  0.00
Modify  | 14.104     | 14.104     | 14.104     |   0.0 |  9.90
Other   |            | 0.009522   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7775 ave        7775 max        7775 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462060 ave      462060 max      462060 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462060
Ave neighs/atom = 231.03
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.827102274845, Press = 0.224177620908944
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    160000  -71752.358     -3111.4767     -73490.215     -3186.8373      291.65325      291.65325      40415.805      40415.805      321.0859       325.34029    
    161000  -71807.529     -3113.8691     -73564.039     -3190.0386      294.78374      294.78374      40542.645      40542.645     -43.978397     -44.561111    
Loop time of 142.684 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.634 hours/ns, 7.009 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    | 127.37     | 127.37     | 127.37     |   0.0 | 89.27
Neigh   | 1.1757     | 1.1757     | 1.1757     |   0.0 |  0.82
Comm    | 0.032146   | 0.032146   | 0.032146   |   0.0 |  0.02
Output  | 4.8762e-05 | 4.8762e-05 | 4.8762e-05 |   0.0 |  0.00
Modify  | 14.092     | 14.092     | 14.092     |   0.0 |  9.88
Other   |            | 0.009525   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7663 ave        7663 max        7663 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460200 ave      460200 max      460200 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460200
Ave neighs/atom = 230.1
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.832935728814, Press = -0.0936871477608709
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    161000  -71807.529     -3113.8691     -73564.039     -3190.0386      294.78374      294.78374      40542.645      40542.645     -43.978397     -44.561111    
    162000  -71680.229     -3108.3489     -73440.037     -3184.6614      295.33719      295.33719      40524.68       40524.68      -158.38282     -160.4814     
Loop time of 142.945 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.707 hours/ns, 6.996 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    | 127.55     | 127.55     | 127.55     |   0.0 | 89.23
Neigh   | 1.2361     | 1.2361     | 1.2361     |   0.0 |  0.86
Comm    | 0.03222    | 0.03222    | 0.03222    |   0.0 |  0.02
Output  | 4.6618e-05 | 4.6618e-05 | 4.6618e-05 |   0.0 |  0.00
Modify  | 14.12      | 14.12      | 14.12      |   0.0 |  9.88
Other   |            | 0.009549   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7677 ave        7677 max        7677 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461032 ave      461032 max      461032 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461032
Ave neighs/atom = 230.516
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.846419963634, Press = 0.201099143133462
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    162000  -71680.229     -3108.3489     -73440.037     -3184.6614      295.33719      295.33719      40524.68       40524.68      -158.38282     -160.4814     
    163000  -71802.254     -3113.6404     -73549.151     -3189.393       293.17041      293.17041      40481.36       40481.36       215.82417      218.68384    
Loop time of 142.71 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.642 hours/ns, 7.007 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    | 127.39     | 127.39     | 127.39     |   0.0 | 89.26
Neigh   | 1.1767     | 1.1767     | 1.1767     |   0.0 |  0.82
Comm    | 0.032104   | 0.032104   | 0.032104   |   0.0 |  0.02
Output  | 5.0114e-05 | 5.0114e-05 | 5.0114e-05 |   0.0 |  0.00
Modify  | 14.105     | 14.105     | 14.105     |   0.0 |  9.88
Other   |            | 0.009523   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7629 ave        7629 max        7629 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460773 ave      460773 max      460773 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460773
Ave neighs/atom = 230.3865
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.862379258857, Press = -0.0560938368210968
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    163000  -71802.254     -3113.6404     -73549.151     -3189.393       293.17041      293.17041      40481.36       40481.36       215.82417      218.68384    
    164000  -71679.229     -3108.3055     -73505.997     -3187.5217      306.57469      306.57469      40554.044      40554.044     -136.76339     -138.57551    
Loop time of 142.808 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.669 hours/ns, 7.002 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    | 127.47     | 127.47     | 127.47     |   0.0 | 89.26
Neigh   | 1.1763     | 1.1763     | 1.1763     |   0.0 |  0.82
Comm    | 0.032048   | 0.032048   | 0.032048   |   0.0 |  0.02
Output  | 4.791e-05  | 4.791e-05  | 4.791e-05  |   0.0 |  0.00
Modify  | 14.119     | 14.119     | 14.119     |   0.0 |  9.89
Other   |            | 0.009533   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7696 ave        7696 max        7696 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460600 ave      460600 max      460600 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460600
Ave neighs/atom = 230.3
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.870945030161, Press = 0.102835057758168
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    164000  -71679.229     -3108.3055     -73505.997     -3187.5217      306.57469      306.57469      40554.044      40554.044     -136.76339     -138.5755     
    165000  -71786.271     -3112.9473     -73514.483     -3187.8897      290.03465      290.03465      40471.381      40471.381      71.491921      72.439189    
Loop time of 142.52 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.589 hours/ns, 7.017 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    | 127.22     | 127.22     | 127.22     |   0.0 | 89.27
Neigh   | 1.1758     | 1.1758     | 1.1758     |   0.0 |  0.82
Comm    | 0.032052   | 0.032052   | 0.032052   |   0.0 |  0.02
Output  | 4.5345e-05 | 4.5345e-05 | 4.5345e-05 |   0.0 |  0.00
Modify  | 14.081     | 14.081     | 14.081     |   0.0 |  9.88
Other   |            | 0.009462   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7706 ave        7706 max        7706 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460968 ave      460968 max      460968 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460968
Ave neighs/atom = 230.484
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.879984495716, Press = -0.0808276152851235
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    165000  -71786.271     -3112.9473     -73514.483     -3187.8897      290.03465      290.03465      40471.381      40471.381      71.491921      72.439189    
    166000  -71779.195     -3112.6405     -73517.809     -3188.0339      291.78025      291.78025      40741.222      40741.222     -904.37772     -916.36073    
Loop time of 142.691 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.636 hours/ns, 7.008 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    | 127.36     | 127.36     | 127.36     |   0.0 | 89.26
Neigh   | 1.1771     | 1.1771     | 1.1771     |   0.0 |  0.82
Comm    | 0.032132   | 0.032132   | 0.032132   |   0.0 |  0.02
Output  | 4.6247e-05 | 4.6247e-05 | 4.6247e-05 |   0.0 |  0.00
Modify  | 14.111     | 14.111     | 14.111     |   0.0 |  9.89
Other   |            | 0.00953    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7662 ave        7662 max        7662 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459060 ave      459060 max      459060 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459060
Ave neighs/atom = 229.53
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.882687189221, Press = 0.14676784861077
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    166000  -71779.195     -3112.6405     -73517.809     -3188.0339      291.78025      291.78025      40741.222      40741.222     -904.37772     -916.36073    
    167000  -71796.797     -3113.4038     -73529.605     -3188.5454      290.80594      290.80594      40380.979      40380.979      699.64772      708.91806    
Loop time of 142.287 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.607 ns/day, 39.524 hours/ns, 7.028 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    | 126.98     | 126.98     | 126.98     |   0.0 | 89.25
Neigh   | 1.1734     | 1.1734     | 1.1734     |   0.0 |  0.82
Comm    | 0.031983   | 0.031983   | 0.031983   |   0.0 |  0.02
Output  | 4.7799e-05 | 4.7799e-05 | 4.7799e-05 |   0.0 |  0.00
Modify  | 14.087     | 14.087     | 14.087     |   0.0 |  9.90
Other   |            | 0.009614   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7769 ave        7769 max        7769 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461529 ave      461529 max      461529 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461529
Ave neighs/atom = 230.7645
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.866047458179, Press = 0.150119448759139
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    167000  -71796.797     -3113.4038     -73529.605     -3188.5454      290.80594      290.80594      40380.979      40380.979      699.64772      708.91806    
    168000  -71802.289     -3113.6419     -73545.204     -3189.2219      292.50206      292.50206      40533.137      40533.137     -72.801485     -73.766104    
Loop time of 142.588 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.608 hours/ns, 7.013 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    | 127.25     | 127.25     | 127.25     |   0.0 | 89.24
Neigh   | 1.2325     | 1.2325     | 1.2325     |   0.0 |  0.86
Comm    | 0.03231    | 0.03231    | 0.03231    |   0.0 |  0.02
Output  | 5.0275e-05 | 5.0275e-05 | 5.0275e-05 |   0.0 |  0.00
Modify  | 14.061     | 14.061     | 14.061     |   0.0 |  9.86
Other   |            | 0.009557   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7702 ave        7702 max        7702 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460777 ave      460777 max      460777 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460777
Ave neighs/atom = 230.3885
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.871875924853, Press = -0.099361187354422
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    168000  -71802.289     -3113.6419     -73545.204     -3189.2219      292.50206      292.50206      40533.137      40533.137     -72.801485     -73.766104    
    169000  -71700.157     -3109.2131     -73495.929     -3187.0851      301.37285      301.37285      40474.593      40474.593      200.8381       203.4992     
Loop time of 142.95 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.708 hours/ns, 6.995 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    | 127.62     | 127.62     | 127.62     |   0.0 | 89.28
Neigh   | 1.1769     | 1.1769     | 1.1769     |   0.0 |  0.82
Comm    | 0.032093   | 0.032093   | 0.032093   |   0.0 |  0.02
Output  | 4.6337e-05 | 4.6337e-05 | 4.6337e-05 |   0.0 |  0.00
Modify  | 14.108     | 14.108     | 14.108     |   0.0 |  9.87
Other   |            | 0.00957    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7753 ave        7753 max        7753 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461455 ave      461455 max      461455 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461455
Ave neighs/atom = 230.7275
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.887423227164, Press = 0.117280903478177
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    169000  -71700.157     -3109.2131     -73495.929     -3187.0851      301.37285      301.37285      40474.593      40474.593      200.8381       203.4992     
    170000  -71764.939     -3112.0223     -73503.158     -3187.3986      291.71407      291.71407      40498.371      40498.371      35.119702      35.585038    
Loop time of 142.821 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.672 hours/ns, 7.002 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    | 127.5      | 127.5      | 127.5      |   0.0 | 89.28
Neigh   | 1.1769     | 1.1769     | 1.1769     |   0.0 |  0.82
Comm    | 0.032187   | 0.032187   | 0.032187   |   0.0 |  0.02
Output  | 4.5075e-05 | 4.5075e-05 | 4.5075e-05 |   0.0 |  0.00
Modify  | 14.098     | 14.098     | 14.098     |   0.0 |  9.87
Other   |            | 0.009523   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7741 ave        7741 max        7741 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460341 ave      460341 max      460341 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460341
Ave neighs/atom = 230.1705
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.896727857922, Press = -0.117654890134198
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    170000  -71764.939     -3112.0223     -73503.158     -3187.3986      291.71407      291.71407      40498.371      40498.371      35.119702      35.585038    
    171000  -71781.265     -3112.7302     -73536.75      -3188.8553      294.61181      294.61181      40525.975      40525.975     -43.681785     -44.260569    
Loop time of 142.957 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.710 hours/ns, 6.995 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    | 127.62     | 127.62     | 127.62     |   0.0 | 89.27
Neigh   | 1.176      | 1.176      | 1.176      |   0.0 |  0.82
Comm    | 0.032168   | 0.032168   | 0.032168   |   0.0 |  0.02
Output  | 4.5295e-05 | 4.5295e-05 | 4.5295e-05 |   0.0 |  0.00
Modify  | 14.123     | 14.123     | 14.123     |   0.0 |  9.88
Other   |            | 0.009533   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7702 ave        7702 max        7702 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460796 ave      460796 max      460796 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460796
Ave neighs/atom = 230.398
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.913814768655, Press = 0.113798932297284
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    171000  -71781.265     -3112.7302     -73536.75      -3188.8553      294.61181      294.61181      40525.975      40525.975     -43.681785     -44.260569    
    172000  -71752.777     -3111.4949     -73498.608     -3187.2013      292.99151      292.99151      40473.257      40473.257      194.97366      197.55706    
Loop time of 142.677 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.632 hours/ns, 7.009 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    | 127.32     | 127.32     | 127.32     |   0.0 | 89.23
Neigh   | 1.2326     | 1.2326     | 1.2326     |   0.0 |  0.86
Comm    | 0.032204   | 0.032204   | 0.032204   |   0.0 |  0.02
Output  | 4.5676e-05 | 4.5676e-05 | 4.5676e-05 |   0.0 |  0.00
Modify  | 14.087     | 14.087     | 14.087     |   0.0 |  9.87
Other   |            | 0.009495   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7766 ave        7766 max        7766 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460694 ave      460694 max      460694 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460694
Ave neighs/atom = 230.347
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.917503777755, Press = -0.178676921306463
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    172000  -71752.777     -3111.4949     -73498.608     -3187.2013      292.99151      292.99151      40473.257      40473.257      194.97366      197.55706    
    173000  -71806.319     -3113.8167     -73530.329     -3188.5768      289.3294       289.3294       40687.187      40687.187     -713.28446     -722.73548    
Loop time of 142.863 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.684 hours/ns, 7.000 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    | 127.55     | 127.55     | 127.55     |   0.0 | 89.28
Neigh   | 1.1768     | 1.1768     | 1.1768     |   0.0 |  0.82
Comm    | 0.032043   | 0.032043   | 0.032043   |   0.0 |  0.02
Output  | 4.6708e-05 | 4.6708e-05 | 4.6708e-05 |   0.0 |  0.00
Modify  | 14.093     | 14.093     | 14.093     |   0.0 |  9.86
Other   |            | 0.009482   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7697 ave        7697 max        7697 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459294 ave      459294 max      459294 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459294
Ave neighs/atom = 229.647
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.919136607652, Press = 0.144826774177121
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    173000  -71806.319     -3113.8167     -73530.329     -3188.5768      289.3294       289.3294       40687.187      40687.187     -713.28446     -722.73548    
    174000  -71782.486     -3112.7832     -73547.442     -3189.3189      296.20107      296.20107      40292.653      40292.653      894.75711      906.61264    
Loop time of 142.676 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.632 hours/ns, 7.009 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    | 127.29     | 127.29     | 127.29     |   0.0 | 89.22
Neigh   | 1.236      | 1.236      | 1.236      |   0.0 |  0.87
Comm    | 0.03223    | 0.03223    | 0.03223    |   0.0 |  0.02
Output  | 4.4383e-05 | 4.4383e-05 | 4.4383e-05 |   0.0 |  0.00
Modify  | 14.108     | 14.108     | 14.108     |   0.0 |  9.89
Other   |            | 0.009533   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7845 ave        7845 max        7845 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462655 ave      462655 max      462655 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462655
Ave neighs/atom = 231.3275
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.926721849271, Press = -0.00471799054278349
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.4 | 249.4 | 249.4 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    174000  -71782.486     -3112.7832     -73547.442     -3189.3189      296.20107      296.20107      40292.653      40292.653      894.75711      906.61264    
    175000  -71780.736     -3112.7073     -73531.92      -3188.6458      293.88982      293.88982      40627.389      40627.389     -510.04769     -516.80582    
Loop time of 142.999 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.722 hours/ns, 6.993 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    | 127.61     | 127.61     | 127.61     |   0.0 | 89.24
Neigh   | 1.2318     | 1.2318     | 1.2318     |   0.0 |  0.86
Comm    | 0.032318   | 0.032318   | 0.032318   |   0.0 |  0.02
Output  | 4.6367e-05 | 4.6367e-05 | 4.6367e-05 |   0.0 |  0.00
Modify  | 14.115     | 14.115     | 14.115     |   0.0 |  9.87
Other   |            | 0.009523   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7697 ave        7697 max        7697 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460080 ave      460080 max      460080 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460080
Ave neighs/atom = 230.04
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.936741416705, Press = -0.0348824633130525
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    175000  -71780.736     -3112.7073     -73531.92      -3188.6458      293.88982      293.88982      40627.389      40627.389     -510.04769     -516.80582    
    176000  -71727.668     -3110.406      -73502.629     -3187.3756      297.88031      297.88031      40456.048      40456.048      261.52015      264.98529    
Loop time of 142.788 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.663 hours/ns, 7.003 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    | 127.49     | 127.49     | 127.49     |   0.0 | 89.29
Neigh   | 1.176      | 1.176      | 1.176      |   0.0 |  0.82
Comm    | 0.032139   | 0.032139   | 0.032139   |   0.0 |  0.02
Output  | 4.5696e-05 | 4.5696e-05 | 4.5696e-05 |   0.0 |  0.00
Modify  | 14.077     | 14.077     | 14.077     |   0.0 |  9.86
Other   |            | 0.009471   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7783 ave        7783 max        7783 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462031 ave      462031 max      462031 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462031
Ave neighs/atom = 231.0155
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.937516872348, Press = 0.0994516633159056
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    176000  -71727.668     -3110.406      -73502.629     -3187.3756      297.88031      297.88031      40456.048      40456.048      261.52015      264.98529    
    177000  -71865.148     -3116.3677     -73576.702     -3190.5878      287.23918      287.23918      40513.451      40513.451     -85.126919     -86.254851    
Loop time of 142.729 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.647 hours/ns, 7.006 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    | 127.41     | 127.41     | 127.41     |   0.0 | 89.27
Neigh   | 1.1781     | 1.1781     | 1.1781     |   0.0 |  0.83
Comm    | 0.032254   | 0.032254   | 0.032254   |   0.0 |  0.02
Output  | 4.5766e-05 | 4.5766e-05 | 4.5766e-05 |   0.0 |  0.00
Modify  | 14.099     | 14.099     | 14.099     |   0.0 |  9.88
Other   |            | 0.009511   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7698 ave        7698 max        7698 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460340 ave      460340 max      460340 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460340
Ave neighs/atom = 230.17
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.927539549663, Press = -0.0698955856184634
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    177000  -71865.148     -3116.3677     -73576.702     -3190.5878      287.23918      287.23918      40513.451      40513.451     -85.126919     -86.254851    
    178000  -71748.234     -3111.2979     -73513.309     -3187.8388      296.22115      296.22115      40647.223      40647.223     -458.91138     -464.99196    
Loop time of 142.564 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.601 hours/ns, 7.014 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    | 127.19     | 127.19     | 127.19     |   0.0 | 89.22
Neigh   | 1.2337     | 1.2337     | 1.2337     |   0.0 |  0.87
Comm    | 0.032284   | 0.032284   | 0.032284   |   0.0 |  0.02
Output  | 4.5987e-05 | 4.5987e-05 | 4.5987e-05 |   0.0 |  0.00
Modify  | 14.097     | 14.097     | 14.097     |   0.0 |  9.89
Other   |            | 0.009489   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7733 ave        7733 max        7733 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460231 ave      460231 max      460231 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460231
Ave neighs/atom = 230.1155
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.923523570937, Press = 0.136256217303586
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    178000  -71748.234     -3111.2979     -73513.309     -3187.8388      296.22115      296.22115      40647.223      40647.223     -458.91138     -464.99196    
    179000  -71827.154     -3114.7202     -73555.254     -3189.6577      290.01587      290.01587      40214.347      40214.347      1249.8144      1266.3745    
Loop time of 142.648 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.625 hours/ns, 7.010 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    | 127.22     | 127.22     | 127.22     |   0.0 | 89.18
Neigh   | 1.2927     | 1.2927     | 1.2927     |   0.0 |  0.91
Comm    | 0.032258   | 0.032258   | 0.032258   |   0.0 |  0.02
Output  | 4.4754e-05 | 4.4754e-05 | 4.4754e-05 |   0.0 |  0.00
Modify  | 14.099     | 14.099     | 14.099     |   0.0 |  9.88
Other   |            | 0.009472   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7872 ave        7872 max        7872 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         464398 ave      464398 max      464398 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 464398
Ave neighs/atom = 232.199
Neighbor list builds = 22
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.913976617257, Press = 0.114691571360683
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.4 | 249.4 | 249.4 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    179000  -71827.154     -3114.7202     -73555.254     -3189.6577      290.01587      290.01587      40214.347      40214.347      1249.8144      1266.3745    
    180000  -71731.733     -3110.5823     -73503.755     -3187.4245      297.38696      297.38696      40619.674      40619.674     -444.04916     -449.93281    
Loop time of 142.801 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.667 hours/ns, 7.003 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    | 127.36     | 127.36     | 127.36     |   0.0 | 89.19
Neigh   | 1.2916     | 1.2916     | 1.2916     |   0.0 |  0.90
Comm    | 0.032365   | 0.032365   | 0.032365   |   0.0 |  0.02
Output  | 4.6567e-05 | 4.6567e-05 | 4.6567e-05 |   0.0 |  0.00
Modify  | 14.105     | 14.105     | 14.105     |   0.0 |  9.88
Other   |            | 0.009471   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7723 ave        7723 max        7723 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460296 ave      460296 max      460296 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460296
Ave neighs/atom = 230.148
Neighbor list builds = 22
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.903013957319, Press = -0.0439768662572335
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    180000  -71731.733     -3110.5823     -73503.755     -3187.4245      297.38696      297.38696      40619.674      40619.674     -444.04916     -449.93281    
    181000  -71707.771     -3109.5432     -73502.89      -3187.387       301.26331      301.26331      40464.385      40464.385      240.00001      243.18001    
Loop time of 142.968 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.713 hours/ns, 6.995 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    | 127.58     | 127.58     | 127.58     |   0.0 | 89.23
Neigh   | 1.2366     | 1.2366     | 1.2366     |   0.0 |  0.86
Comm    | 0.032209   | 0.032209   | 0.032209   |   0.0 |  0.02
Output  | 4.6788e-05 | 4.6788e-05 | 4.6788e-05 |   0.0 |  0.00
Modify  | 14.114     | 14.114     | 14.114     |   0.0 |  9.87
Other   |            | 0.009528   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7774 ave        7774 max        7774 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461946 ave      461946 max      461946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461946
Ave neighs/atom = 230.973
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.903228898482, Press = 0.192026096471457
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    181000  -71707.771     -3109.5432     -73502.89      -3187.387       301.26331      301.26331      40464.385      40464.385      240.00001      243.18001    
    182000  -71815.695     -3114.2232     -73530.243     -3188.5731      287.7416       287.7416       40502.94       40502.94       21.530975      21.816261    
Loop time of 142.501 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.583 hours/ns, 7.018 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    | 127.2      | 127.2      | 127.2      |   0.0 | 89.27
Neigh   | 1.1727     | 1.1727     | 1.1727     |   0.0 |  0.82
Comm    | 0.032111   | 0.032111   | 0.032111   |   0.0 |  0.02
Output  | 4.6357e-05 | 4.6357e-05 | 4.6357e-05 |   0.0 |  0.00
Modify  | 14.082     | 14.082     | 14.082     |   0.0 |  9.88
Other   |            | 0.009476   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7725 ave        7725 max        7725 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461130 ave      461130 max      461130 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461130
Ave neighs/atom = 230.565
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.906786150912, Press = -0.143723228516473
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    182000  -71815.695     -3114.2232     -73530.243     -3188.5731      287.7416       287.7416       40502.94       40502.94       21.530975      21.816261    
    183000  -71658.869     -3107.4227     -73469.293     -3185.9301      303.83178      303.83178      40567.44       40567.44      -207.8165      -210.57007    
Loop time of 142.909 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.697 hours/ns, 6.997 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    | 127.58     | 127.58     | 127.58     |   0.0 | 89.27
Neigh   | 1.1763     | 1.1763     | 1.1763     |   0.0 |  0.82
Comm    | 0.032126   | 0.032126   | 0.032126   |   0.0 |  0.02
Output  | 4.8711e-05 | 4.8711e-05 | 4.8711e-05 |   0.0 |  0.00
Modify  | 14.114     | 14.114     | 14.114     |   0.0 |  9.88
Other   |            | 0.009546   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7728 ave        7728 max        7728 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461532 ave      461532 max      461532 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461532
Ave neighs/atom = 230.766
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.916763433209, Press = 0.209332756929613
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    183000  -71658.869     -3107.4227     -73469.293     -3185.9301      303.83178      303.83178      40567.44       40567.44      -207.8165      -210.57007    
    184000  -71776.841     -3112.5384     -73474.075     -3186.1374      284.83589      284.83589      40367.7        40367.7        558.17191      565.56768    
Loop time of 142.466 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.574 hours/ns, 7.019 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    | 127.12     | 127.12     | 127.12     |   0.0 | 89.23
Neigh   | 1.2322     | 1.2322     | 1.2322     |   0.0 |  0.86
Comm    | 0.032172   | 0.032172   | 0.032172   |   0.0 |  0.02
Output  | 4.8491e-05 | 4.8491e-05 | 4.8491e-05 |   0.0 |  0.00
Modify  | 14.068     | 14.068     | 14.068     |   0.0 |  9.87
Other   |            | 0.009478   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7862 ave        7862 max        7862 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         462320 ave      462320 max      462320 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 462320
Ave neighs/atom = 231.16
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.925612887562, Press = -0.0255507355444692
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.4 | 249.4 | 249.4 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    184000  -71776.841     -3112.5384     -73474.075     -3186.1374      284.83589      284.83589      40367.7        40367.7        558.17191      565.56768    
    185000  -71734.263     -3110.692      -73489.768     -3186.8179      294.61503      294.61503      40702.181      40702.181     -889.39321     -901.17767    
Loop time of 142.941 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.604 ns/day, 39.706 hours/ns, 6.996 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    | 127.57     | 127.57     | 127.57     |   0.0 | 89.25
Neigh   | 1.2339     | 1.2339     | 1.2339     |   0.0 |  0.86
Comm    | 0.03236    | 0.03236    | 0.03236    |   0.0 |  0.02
Output  | 4.6076e-05 | 4.6076e-05 | 4.6076e-05 |   0.0 |  0.00
Modify  | 14.09      | 14.09      | 14.09      |   0.0 |  9.86
Other   |            | 0.009524   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7730 ave        7730 max        7730 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460034 ave      460034 max      460034 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460034
Ave neighs/atom = 230.017
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.941174024295, Press = -0.032939097826
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    185000  -71734.263     -3110.692      -73489.768     -3186.8179      294.61503      294.61503      40702.181      40702.181     -889.39321     -901.17767    
    186000  -71861.173     -3116.1954     -73565.91      -3190.1198      286.09504      286.09504      40458.956      40458.956      257.41944      260.83025    
Loop time of 142.701 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.639 hours/ns, 7.008 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    | 127.39     | 127.39     | 127.39     |   0.0 | 89.27
Neigh   | 1.1767     | 1.1767     | 1.1767     |   0.0 |  0.82
Comm    | 0.032135   | 0.032135   | 0.032135   |   0.0 |  0.02
Output  | 4.5615e-05 | 4.5615e-05 | 4.5615e-05 |   0.0 |  0.00
Modify  | 14.097     | 14.097     | 14.097     |   0.0 |  9.88
Other   |            | 0.009585   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7808 ave        7808 max        7808 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461782 ave      461782 max      461782 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461782
Ave neighs/atom = 230.891
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.928141205475, Press = 0.172322504428876
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    186000  -71861.173     -3116.1954     -73565.91      -3190.1198      286.09504      286.09504      40458.956      40458.956      257.41944      260.83025    
    187000  -71769.338     -3112.213      -73538.307     -3188.9228      296.87466      296.87466      40536.862      40536.862      16.241891      16.457096    
Loop time of 142.482 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.578 hours/ns, 7.018 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    | 127.2      | 127.2      | 127.2      |   0.0 | 89.28
Neigh   | 1.1744     | 1.1744     | 1.1744     |   0.0 |  0.82
Comm    | 0.03214    | 0.03214    | 0.03214    |   0.0 |  0.02
Output  | 5.1938e-05 | 5.1938e-05 | 5.1938e-05 |   0.0 |  0.00
Modify  | 14.064     | 14.064     | 14.064     |   0.0 |  9.87
Other   |            | 0.009564   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7757 ave        7757 max        7757 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         460844 ave      460844 max      460844 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 460844
Ave neighs/atom = 230.422
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.927441741022, Press = -0.0995436644176997
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    187000  -71769.338     -3112.213      -73538.307     -3188.9228      296.87466      296.87466      40536.862      40536.862      16.241891      16.457096    
    188000  -71739.322     -3110.9114     -73579.682     -3190.717       308.85576      308.85576      40527.95       40527.95       109.29248      110.7406     
Loop time of 142.812 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.605 ns/day, 39.670 hours/ns, 7.002 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    | 127.43     | 127.43     | 127.43     |   0.0 | 89.23
Neigh   | 1.232      | 1.232      | 1.232      |   0.0 |  0.86
Comm    | 0.032218   | 0.032218   | 0.032218   |   0.0 |  0.02
Output  | 5.0335e-05 | 5.0335e-05 | 5.0335e-05 |   0.0 |  0.00
Modify  | 14.111     | 14.111     | 14.111     |   0.0 |  9.88
Other   |            | 0.009521   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7759 ave        7759 max        7759 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461236 ave      461236 max      461236 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461236
Ave neighs/atom = 230.618
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.929470656548, Press = 0.139664883709725
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    188000  -71739.322     -3110.9114     -73579.682     -3190.717       308.85576      308.85576      40527.95       40527.95       109.29248      110.7406     
    189000  -71794.906     -3113.3218     -73561.302     -3189.9199      296.44285      296.44285      40462.191      40462.191      287.35346      291.16089    
Loop time of 142.618 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.616 hours/ns, 7.012 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    | 127.3      | 127.3      | 127.3      |   0.0 | 89.26
Neigh   | 1.175      | 1.175      | 1.175      |   0.0 |  0.82
Comm    | 0.032095   | 0.032095   | 0.032095   |   0.0 |  0.02
Output  | 5.1808e-05 | 5.1808e-05 | 5.1808e-05 |   0.0 |  0.00
Modify  | 14.098     | 14.098     | 14.098     |   0.0 |  9.89
Other   |            | 0.0095     |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7742 ave        7742 max        7742 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         461391 ave      461391 max      461391 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 461391
Ave neighs/atom = 230.6955
Neighbor list builds = 20
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.946661384517, Press = -0.0530465880213121
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    189000  -71794.906     -3113.3218     -73561.302     -3189.9199      296.44285      296.44285      40462.191      40462.191      287.35346      291.16089    
    190000  -71737.545     -3110.8344     -73470.505     -3185.9826      290.83143      290.83143      40685.413      40685.413     -797.68473     -808.25405    
Loop time of 142.667 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.630 hours/ns, 7.009 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    | 127.3      | 127.3      | 127.3      |   0.0 | 89.23
Neigh   | 1.2336     | 1.2336     | 1.2336     |   0.0 |  0.86
Comm    | 0.032312   | 0.032312   | 0.032312   |   0.0 |  0.02
Output  | 4.5385e-05 | 4.5385e-05 | 4.5385e-05 |   0.0 |  0.00
Modify  | 14.087     | 14.087     | 14.087     |   0.0 |  9.87
Other   |            | 0.009478   |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7638 ave        7638 max        7638 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         459905 ave      459905 max      459905 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 459905
Ave neighs/atom = 229.9525
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.947620642702, Press = 0.114844606560599
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 249.3 | 249.3 | 249.3 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    190000  -71737.545     -3110.8344     -73470.505     -3185.9826      290.83143      290.83143      40685.413      40685.413     -797.68473     -808.25405    
    191000  -71739.319     -3110.9113     -73511.98      -3187.7812      297.49435      297.49435      40322.379      40322.379      916.57246      928.71704    
Loop time of 142.598 on 1 procs for 1000 steps with 2000 atoms

Performance: 0.606 ns/day, 39.611 hours/ns, 7.013 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    | 127.24     | 127.24     | 127.24     |   0.0 | 89.23
Neigh   | 1.231      | 1.231      | 1.231      |   0.0 |  0.86
Comm    | 0.03225    | 0.03225    | 0.03225    |   0.0 |  0.02
Output  | 5.357e-05  | 5.357e-05  | 5.357e-05  |   0.0 |  0.00
Modify  | 14.087     | 14.087     | 14.087     |   0.0 |  9.88
Other   |            | 0.00945    |            |       |  0.01

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           7849 ave        7849 max        7849 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         463304 ave      463304 max      463304 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 463304
Ave neighs/atom = 231.652
Neighbor list builds = 21
Dangerous builds = 0
if "${V_metal}>${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_T293.15.out"  else  "print 'not_converged'  file output/vol_T293.15.out"
print '${V}'  file output/vol_T293.15.out
40515.8599886338

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0