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

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

# create a supercell with cubic lattice (fcc, bcc, sc, or diamond)
# using 10*10*10 conventional (orthogonal) unit cells
variable latticeconst_converted equal 2.866007231175899*${_u_distance}
variable latticeconst_converted equal 2.866007231175899*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.8660072311759
Lattice spacing in x,y,z = 2.8660072 2.8660072 2.8660072
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0 0 0) to (28.660072 28.660072 28.660072)
  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 (28.660072 28.660072 28.660072)
  create_atoms CPU = 0.000 seconds

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

kim_interactions Cr

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

kim interactions Cr
#=== BEGIN kim interactions ==================================
variable kim_update equal 0
variable kim_periodic equal 1
pair_style hybrid/overlay eam/alloy eam/fs
pair_coeff * * eam/alloy /tmp/kim-shared-library-parameter-file-directory-XXXXXXtVUW1t/FeCrW_d.eam.alloy Cr
pair_coeff * * eam/fs /tmp/kim-shared-library-parameter-file-directory-XXXXXXtVUW1t/FeCrW_s.eam.fs Cr
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 51.9961

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 23541.3760861316    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23541.3760861316/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23541.3760861316/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 23541.3760861316/(1*1*${_u_distance})
variable      V0_metal equal 23541.3760861316/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 23541.3760861316*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 23541.3760861316 Angstroms^3

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

variable temp_converted equal 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*1
variable press_converted equal 0.0*${_u_pressure}
variable press_converted equal 0.0*1
variable Pdamp_converted equal 1*${_u_time}
variable Pdamp_converted equal 1*1

# create initial velocities consistent with the chosen temperature
velocity      all create ${temp_converted} 17 mom yes rot yes
velocity      all create 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 0.1               iso ${press_converted} ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 ${press_converted} ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 0 ${Pdamp_converted}
fix           ensemble all npt temp 293.15 293.15 0.1               iso 0 0 1

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

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

# set error bounds for temperature and pressure in original metal units (K and bar)
variable      T_low equal  "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_699257350704_001#item-citation

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

Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.3
  ghost atom cutoff = 7.3
  binsize = 3.65, bins = 8 8 8
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair eam/alloy, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d
      bin: standard
  (2) pair eam/fs, perpetual, copy from (1)
      attributes: half, newton on
      pair build: copy
      stencil: none
      bin: none
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
         0  -8126.7241     -8126.7241     -8202.4715     -8202.4715      293.15         293.15         23541.376      23541.376      3436.7931      3436.7931    
      1000  -8051.1538     -8051.1538     -8128.6152     -8128.6152      299.78362      299.78362      23590.104      23590.104      791.85353      791.85353    
Loop time of 12.7981 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.751 ns/day, 3.555 hours/ns, 78.136 timesteps/s
47.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.626     | 12.626     | 12.626     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.030418   | 0.030418   | 0.030418   |   0.0 |  0.24
Output  | 0.00012359 | 0.00012359 | 0.00012359 |   0.0 |  0.00
Modify  | 0.091603   | 0.091603   | 0.091603   |   0.0 |  0.72
Other   |            | 0.05043    |            |       |  0.39

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

Total # of neighbors = 136000
Ave neighs/atom = 68
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      1000  -8051.1538     -8051.1538     -8128.6152     -8128.6152      299.78362      299.78362      23590.104      23590.104      791.85353      791.85353    
      2000  -8048.3387     -8048.3387     -8128.6536     -8128.6536      310.827        310.827        23614.544      23614.544     -878.73305     -878.73305    
Loop time of 17.1512 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.038 ns/day, 4.764 hours/ns, 58.305 timesteps/s
42.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 16.962     | 16.962     | 16.962     |   0.0 | 98.89
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.049722   | 0.049722   | 0.049722   |   0.0 |  0.29
Output  | 9.2143e-05 | 9.2143e-05 | 9.2143e-05 |   0.0 |  0.00
Modify  | 0.12196    | 0.12196    | 0.12196    |   0.0 |  0.71
Other   |            | 0.01779    |            |       |  0.10

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5461 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137097 ave      137097 max      137097 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137097
Ave neighs/atom = 68.5485
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      2000  -8048.3387     -8048.3387     -8128.6536     -8128.6536      310.827        310.827        23614.544      23614.544     -878.73305     -878.73305    
      3000  -8052.7522     -8052.7522     -8120.5357     -8120.5357      262.32914      262.32914      23651.52       23651.52      -4801.8955     -4801.8955    
Loop time of 15.1737 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.694 ns/day, 4.215 hours/ns, 65.903 timesteps/s
48.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.915     | 14.915     | 14.915     |   0.0 | 98.30
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.089633   | 0.089633   | 0.089633   |   0.0 |  0.59
Output  | 8.3016e-05 | 8.3016e-05 | 8.3016e-05 |   0.0 |  0.00
Modify  | 0.16185    | 0.16185    | 0.16185    |   0.0 |  1.07
Other   |            | 0.0068     |            |       |  0.04

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5446 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136871 ave      136871 max      136871 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136871
Ave neighs/atom = 68.4355
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      3000  -8052.7522     -8052.7522     -8120.5357     -8120.5357      262.32914      262.32914      23651.52       23651.52      -4801.8955     -4801.8955    
      4000  -8048.4971     -8048.4971     -8123.7116     -8123.7116      291.08802      291.08802      23630.245      23630.245     -2481.3641     -2481.3641    
Loop time of 15.1972 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.685 ns/day, 4.221 hours/ns, 65.802 timesteps/s
48.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 15.042     | 15.042     | 15.042     |   0.0 | 98.98
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.030657   | 0.030657   | 0.030657   |   0.0 |  0.20
Output  | 7.2707e-05 | 7.2707e-05 | 7.2707e-05 |   0.0 |  0.00
Modify  | 0.11787    | 0.11787    | 0.11787    |   0.0 |  0.78
Other   |            | 0.006533   |            |       |  0.04

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5411 ave        5411 max        5411 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137172 ave      137172 max      137172 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137172
Ave neighs/atom = 68.586
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      4000  -8048.4971     -8048.4971     -8123.7116     -8123.7116      291.08802      291.08802      23630.245      23630.245     -2481.3641     -2481.3641    
      5000  -8052.034      -8052.034      -8127.1142     -8127.1142      290.5679       290.5679       23606.299      23606.299     -285.84611     -285.84611    
Loop time of 12.0546 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.167 ns/day, 3.348 hours/ns, 82.956 timesteps/s
61.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.924     | 11.924     | 11.924     |   0.0 | 98.91
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03018    | 0.03018    | 0.03018    |   0.0 |  0.25
Output  | 4.5766e-05 | 4.5766e-05 | 4.5766e-05 |   0.0 |  0.00
Modify  | 0.083965   | 0.083965   | 0.083965   |   0.0 |  0.70
Other   |            | 0.01664    |            |       |  0.14

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5439 ave        5439 max        5439 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137183 ave      137183 max      137183 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137183
Ave neighs/atom = 68.5915
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 284.765911720692, Press = 888.771434420986
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      5000  -8052.034      -8052.034      -8127.1142     -8127.1142      290.5679       290.5679       23606.299      23606.299     -285.84611     -285.84611    
      6000  -8050.5389     -8050.5389     -8124.9365     -8124.9365      287.92649      287.92649      23594.642      23594.642      897.22009      897.22009    
Loop time of 15.7855 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.473 ns/day, 4.385 hours/ns, 63.349 timesteps/s
46.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 15.627     | 15.627     | 15.627     |   0.0 | 98.99
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.030302   | 0.030302   | 0.030302   |   0.0 |  0.19
Output  | 6.2097e-05 | 6.2097e-05 | 6.2097e-05 |   0.0 |  0.00
Modify  | 0.12183    | 0.12183    | 0.12183    |   0.0 |  0.77
Other   |            | 0.006479   |            |       |  0.04

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5451 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137093 ave      137093 max      137093 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137093
Ave neighs/atom = 68.5465
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.680398573354, Press = 67.2880903271715
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      6000  -8050.5389     -8050.5389     -8124.9365     -8124.9365      287.92649      287.92649      23594.642      23594.642      897.22009      897.22009    
      7000  -8050.6805     -8050.6805     -8130.5943     -8130.5943      309.27469      309.27469      23586.003      23586.003      1739.9889      1739.9889    
Loop time of 12.6354 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.838 ns/day, 3.510 hours/ns, 79.143 timesteps/s
59.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.537     | 12.537     | 12.537     |   0.0 | 99.22
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019774   | 0.019774   | 0.019774   |   0.0 |  0.16
Output  | 2.697e-05  | 2.697e-05  | 2.697e-05  |   0.0 |  0.00
Modify  | 0.071794   | 0.071794   | 0.071794   |   0.0 |  0.57
Other   |            | 0.006589   |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5446 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137068 ave      137068 max      137068 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137068
Ave neighs/atom = 68.534
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.353451774496, Press = 37.4973494467427
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      7000  -8050.6805     -8050.6805     -8130.5943     -8130.5943      309.27469      309.27469      23586.003      23586.003      1739.9889      1739.9889    
      8000  -8051.6126     -8051.6126     -8128.5296     -8128.5296      297.67701      297.67701      23549.051      23549.051      4728.5279      4728.5279    
Loop time of 15.7182 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.497 ns/day, 4.366 hours/ns, 63.621 timesteps/s
47.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 15.522     | 15.522     | 15.522     |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.027593   | 0.027593   | 0.027593   |   0.0 |  0.18
Output  | 5.7958e-05 | 5.7958e-05 | 5.7958e-05 |   0.0 |  0.00
Modify  | 0.13568    | 0.13568    | 0.13568    |   0.0 |  0.86
Other   |            | 0.03246    |            |       |  0.21

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5463 ave        5463 max        5463 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136866 ave      136866 max      136866 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136866
Ave neighs/atom = 68.433
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.791248735982, Press = 10.8912159005263
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      8000  -8051.6126     -8051.6126     -8128.5296     -8128.5296      297.67701      297.67701      23549.051      23549.051      4728.5279      4728.5279    
      9000  -8046.5968     -8046.5968     -8125.4767     -8125.4767      305.2735       305.2735       23589.929      23589.929      1481.3252      1481.3252    
Loop time of 19.9198 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.337 ns/day, 5.533 hours/ns, 50.201 timesteps/s
37.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.774     | 19.774     | 19.774     |   0.0 | 99.27
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.049522   | 0.049522   | 0.049522   |   0.0 |  0.25
Output  | 3.3263e-05 | 3.3263e-05 | 3.3263e-05 |   0.0 |  0.00
Modify  | 0.090091   | 0.090091   | 0.090091   |   0.0 |  0.45
Other   |            | 0.006369   |            |       |  0.03

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5465 ave        5465 max        5465 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137157 ave      137157 max      137157 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137157
Ave neighs/atom = 68.5785
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.526264147033, Press = -6.59603507523963
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
      9000  -8046.5968     -8046.5968     -8125.4767     -8125.4767      305.2735       305.2735       23589.929      23589.929      1481.3252      1481.3252    
     10000  -8051.096      -8051.096      -8123.2979     -8123.2979      279.42863      279.42863      23601.393      23601.393      95.602921      95.602921    
Loop time of 14.9434 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.782 ns/day, 4.151 hours/ns, 66.919 timesteps/s
49.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.756     | 14.756     | 14.756     |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019695   | 0.019695   | 0.019695   |   0.0 |  0.13
Output  | 2.8804e-05 | 2.8804e-05 | 2.8804e-05 |   0.0 |  0.00
Modify  | 0.16085    | 0.16085    | 0.16085    |   0.0 |  1.08
Other   |            | 0.006487   |            |       |  0.04

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5444 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137066 ave      137066 max      137066 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137066
Ave neighs/atom = 68.533
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.834803958607, Press = -5.72102506782973
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     10000  -8051.096      -8051.096      -8123.2979     -8123.2979      279.42863      279.42863      23601.393      23601.393      95.602921      95.602921    
     11000  -8050.7373     -8050.7373     -8130.3477     -8130.3477      308.10044      308.10044      23630.263      23630.263     -2274.6832     -2274.6832    
Loop time of 11.0965 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.786 ns/day, 3.082 hours/ns, 90.118 timesteps/s
66.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.972     | 10.972     | 10.972     |   0.0 | 98.88
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.028584   | 0.028584   | 0.028584   |   0.0 |  0.26
Output  | 2.9595e-05 | 2.9595e-05 | 2.9595e-05 |   0.0 |  0.00
Modify  | 0.089416   | 0.089416   | 0.089416   |   0.0 |  0.81
Other   |            | 0.006544   |            |       |  0.06

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5445 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137183 ave      137183 max      137183 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137183
Ave neighs/atom = 68.5915
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 293.17450800538, Press = -1.10182706257465
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     11000  -8050.7373     -8050.7373     -8130.3477     -8130.3477      308.10044      308.10044      23630.263      23630.263     -2274.6832     -2274.6832    
     12000  -8048.6785     -8048.6785     -8123.052      -8123.052       287.83288      287.83288      23628.139      23628.139     -2409.9216     -2409.9216    
Loop time of 14.2462 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.065 ns/day, 3.957 hours/ns, 70.194 timesteps/s
51.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.968     | 13.968     | 13.968     |   0.0 | 98.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.088892   | 0.088892   | 0.088892   |   0.0 |  0.62
Output  | 5.5154e-05 | 5.5154e-05 | 5.5154e-05 |   0.0 |  0.00
Modify  | 0.1828     | 0.1828     | 0.1828     |   0.0 |  1.28
Other   |            | 0.006574   |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5448 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136876 ave      136876 max      136876 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136876
Ave neighs/atom = 68.438
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.938867306437, Press = 4.93583936192511
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     12000  -8048.6785     -8048.6785     -8123.052      -8123.052       287.83288      287.83288      23628.139      23628.139     -2409.9216     -2409.9216    
     13000  -8053.4132     -8053.4132     -8127.484      -8127.484       286.66169      286.66169      23627.362      23627.362     -2243.4648     -2243.4648    
Loop time of 7.72619 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.183 ns/day, 2.146 hours/ns, 129.430 timesteps/s
97.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.6329     | 7.6329     | 7.6329     |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019719   | 0.019719   | 0.019719   |   0.0 |  0.26
Output  | 3.3583e-05 | 3.3583e-05 | 3.3583e-05 |   0.0 |  0.00
Modify  | 0.066954   | 0.066954   | 0.066954   |   0.0 |  0.87
Other   |            | 0.006587   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5431 ave        5431 max        5431 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137112 ave      137112 max      137112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137112
Ave neighs/atom = 68.556
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.865845627023, Press = 7.49827170504927
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     13000  -8053.4132     -8053.4132     -8127.484      -8127.484       286.66169      286.66169      23627.362      23627.362     -2243.4648     -2243.4648    
     14000  -8048.7494     -8048.7494     -8122.6864     -8122.6864      286.14385      286.14385      23610.175      23610.175     -617.68505     -617.68505    
Loop time of 11.5671 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.469 ns/day, 3.213 hours/ns, 86.452 timesteps/s
64.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.453     | 11.453     | 11.453     |   0.0 | 99.01
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019796   | 0.019796   | 0.019796   |   0.0 |  0.17
Output  | 3.4234e-05 | 3.4234e-05 | 3.4234e-05 |   0.0 |  0.00
Modify  | 0.087658   | 0.087658   | 0.087658   |   0.0 |  0.76
Other   |            | 0.006635   |            |       |  0.06

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5464 ave        5464 max        5464 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136916 ave      136916 max      136916 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136916
Ave neighs/atom = 68.458
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.665447140343, Press = 16.1567282155408
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     14000  -8048.7494     -8048.7494     -8122.6864     -8122.6864      286.14385      286.14385      23610.175      23610.175     -617.68505     -617.68505    
     15000  -8050.9726     -8050.9726     -8126.1094     -8126.1094      290.78734      290.78734      23576.287      23576.287      2553.4301      2553.4301    
Loop time of 12.6932 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.807 ns/day, 3.526 hours/ns, 78.783 timesteps/s
58.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.521     | 12.521     | 12.521     |   0.0 | 98.64
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019558   | 0.019558   | 0.019558   |   0.0 |  0.15
Output  | 3.172e-05  | 3.172e-05  | 3.172e-05  |   0.0 |  0.00
Modify  | 0.14643    | 0.14643    | 0.14643    |   0.0 |  1.15
Other   |            | 0.006497   |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5450 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137068 ave      137068 max      137068 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137068
Ave neighs/atom = 68.534
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.643831412647, Press = 10.8511247682128
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     15000  -8050.9726     -8050.9726     -8126.1094     -8126.1094      290.78734      290.78734      23576.287      23576.287      2553.4301      2553.4301    
     16000  -8050.9968     -8050.9968     -8126.259      -8126.259       291.27231      291.27231      23580.519      23580.519      2298.8426      2298.8426    
Loop time of 13.6259 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.341 ns/day, 3.785 hours/ns, 73.389 timesteps/s
54.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.444     | 13.444     | 13.444     |   0.0 | 98.66
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019326   | 0.019326   | 0.019326   |   0.0 |  0.14
Output  | 3.6559e-05 | 3.6559e-05 | 3.6559e-05 |   0.0 |  0.00
Modify  | 0.14348    | 0.14348    | 0.14348    |   0.0 |  1.05
Other   |            | 0.01954    |            |       |  0.14

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5431 ave        5431 max        5431 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137132 ave      137132 max      137132 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137132
Ave neighs/atom = 68.566
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.738505154563, Press = 4.99083512603617
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     16000  -8050.9968     -8050.9968     -8126.259      -8126.259       291.27231      291.27231      23580.519      23580.519      2298.8426      2298.8426    
     17000  -8048.6774     -8048.6774     -8124.4169     -8124.4169      293.11991      293.11991      23588.296      23588.296      1373.8782      1373.8782    
Loop time of 10.1901 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.479 ns/day, 2.831 hours/ns, 98.134 timesteps/s
72.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.079     | 10.079     | 10.079     |   0.0 | 98.91
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.028004   | 0.028004   | 0.028004   |   0.0 |  0.27
Output  | 3.3813e-05 | 3.3813e-05 | 3.3813e-05 |   0.0 |  0.00
Modify  | 0.076745   | 0.076745   | 0.076745   |   0.0 |  0.75
Other   |            | 0.006569   |            |       |  0.06

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5458 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137019 ave      137019 max      137019 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137019
Ave neighs/atom = 68.5095
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.725917447322, Press = 1.18144126887624
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     17000  -8048.6774     -8048.6774     -8124.4169     -8124.4169      293.11991      293.11991      23588.296      23588.296      1373.8782      1373.8782    
     18000  -8048.9013     -8048.9013     -8129.1717     -8129.1717      310.65468      310.65468      23605.478      23605.478     -164.06508     -164.06508    
Loop time of 9.7676 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.846 ns/day, 2.713 hours/ns, 102.379 timesteps/s
75.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.6575     | 9.6575     | 9.6575     |   0.0 | 98.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019484   | 0.019484   | 0.019484   |   0.0 |  0.20
Output  | 0.00011659 | 0.00011659 | 0.00011659 |   0.0 |  0.00
Modify  | 0.065003   | 0.065003   | 0.065003   |   0.0 |  0.67
Other   |            | 0.02551    |            |       |  0.26

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5451 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137189 ave      137189 max      137189 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137189
Ave neighs/atom = 68.5945
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.9196393145, Press = 0.193948518006469
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     18000  -8048.9013     -8048.9013     -8129.1717     -8129.1717      310.65468      310.65468      23605.478      23605.478     -164.06508     -164.06508    
     19000  -8048.695      -8048.695      -8129.45       -8129.45        312.53006      312.53006      23620.795      23620.795     -1579.7392     -1579.7392    
Loop time of 9.69907 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.908 ns/day, 2.694 hours/ns, 103.103 timesteps/s
76.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.5769     | 9.5769     | 9.5769     |   0.0 | 98.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01948    | 0.01948    | 0.01948    |   0.0 |  0.20
Output  | 3.0868e-05 | 3.0868e-05 | 3.0868e-05 |   0.0 |  0.00
Modify  | 0.096163   | 0.096163   | 0.096163   |   0.0 |  0.99
Other   |            | 0.006465   |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5452 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136893 ave      136893 max      136893 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136893
Ave neighs/atom = 68.4465
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.96122782526, Press = -3.32456830882202
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     19000  -8048.695      -8048.695      -8129.45       -8129.45        312.53006      312.53006      23620.795      23620.795     -1579.7392     -1579.7392    
     20000  -8054.5919     -8054.5919     -8127.4085     -8127.4085      281.80766      281.80766      23660.494      23660.494     -5321.1582     -5321.1582    
Loop time of 9.11746 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.476 ns/day, 2.533 hours/ns, 109.680 timesteps/s
80.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.0157     | 9.0157     | 9.0157     |   0.0 | 98.88
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019484   | 0.019484   | 0.019484   |   0.0 |  0.21
Output  | 4.6036e-05 | 4.6036e-05 | 4.6036e-05 |   0.0 |  0.00
Modify  | 0.06503    | 0.06503    | 0.06503    |   0.0 |  0.71
Other   |            | 0.0172     |            |       |  0.19

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5447 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136994 ave      136994 max      136994 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136994
Ave neighs/atom = 68.497
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.876112281064, Press = -0.698639048085803
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     20000  -8054.5919     -8054.5919     -8127.4085     -8127.4085      281.80766      281.80766      23660.494      23660.494     -5321.1582     -5321.1582    
     21000  -8050.0342     -8050.0342     -8123.6832     -8123.6832      285.0291       285.0291       23630.232      23630.232     -2644.8395     -2644.8395    
Loop time of 13.0033 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.644 ns/day, 3.612 hours/ns, 76.904 timesteps/s
56.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.888     | 12.888     | 12.888     |   0.0 | 99.11
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019425   | 0.019425   | 0.019425   |   0.0 |  0.15
Output  | 3.2631e-05 | 3.2631e-05 | 3.2631e-05 |   0.0 |  0.00
Modify  | 0.089191   | 0.089191   | 0.089191   |   0.0 |  0.69
Other   |            | 0.006452   |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5456 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136792 ave      136792 max      136792 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136792
Ave neighs/atom = 68.396
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.726129202805, Press = 3.87280201997991
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     21000  -8050.0342     -8050.0342     -8123.6832     -8123.6832      285.0291       285.0291       23630.232      23630.232     -2644.8395     -2644.8395    
     22000  -8052.7458     -8052.7458     -8125.6569     -8125.6569      282.17345      282.17345      23616.446      23616.446     -1398.4104     -1398.4104    
Loop time of 12.121 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.128 ns/day, 3.367 hours/ns, 82.502 timesteps/s
60.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.009     | 12.009     | 12.009     |   0.0 | 99.08
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019446   | 0.019446   | 0.019446   |   0.0 |  0.16
Output  | 2.8774e-05 | 2.8774e-05 | 2.8774e-05 |   0.0 |  0.00
Modify  | 0.0861     | 0.0861     | 0.0861     |   0.0 |  0.71
Other   |            | 0.006502   |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5448 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137116 ave      137116 max      137116 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137116
Ave neighs/atom = 68.558
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.736785315868, Press = 5.29441050323006
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     22000  -8052.7458     -8052.7458     -8125.6569     -8125.6569      282.17345      282.17345      23616.446      23616.446     -1398.4104     -1398.4104    
     23000  -8050.0746     -8050.0746     -8124.2071     -8124.2071      286.90052      286.90052      23595.367      23595.367      866.29891      866.29891    
Loop time of 15.4122 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.606 ns/day, 4.281 hours/ns, 64.884 timesteps/s
47.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 15.232     | 15.232     | 15.232     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.039887   | 0.039887   | 0.039887   |   0.0 |  0.26
Output  | 3.0117e-05 | 3.0117e-05 | 3.0117e-05 |   0.0 |  0.00
Modify  | 0.13344    | 0.13344    | 0.13344    |   0.0 |  0.87
Other   |            | 0.006467   |            |       |  0.04

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5444 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137003 ave      137003 max      137003 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137003
Ave neighs/atom = 68.5015
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.568194088331, Press = 5.86268849570263
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     23000  -8050.0746     -8050.0746     -8124.2071     -8124.2071      286.90052      286.90052      23595.367      23595.367      866.29891      866.29891    
     24000  -8053.6492     -8053.6492     -8130.9404     -8130.9404      299.12489      299.12489      23586.08       23586.08       1589.9071      1589.9071    
Loop time of 10.1375 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.523 ns/day, 2.816 hours/ns, 98.644 timesteps/s
73.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.006     | 10.006     | 10.006     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019524   | 0.019524   | 0.019524   |   0.0 |  0.19
Output  | 4.0426e-05 | 4.0426e-05 | 4.0426e-05 |   0.0 |  0.00
Modify  | 0.10534    | 0.10534    | 0.10534    |   0.0 |  1.04
Other   |            | 0.006446   |            |       |  0.06

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5457 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137128 ave      137128 max      137128 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137128
Ave neighs/atom = 68.564
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.529066214026, Press = 3.21142671894181
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     24000  -8053.6492     -8053.6492     -8130.9404     -8130.9404      299.12489      299.12489      23586.08       23586.08       1589.9071      1589.9071    
     25000  -8048.6814     -8048.6814     -8124.3719     -8124.3719      292.92999      292.92999      23594.764      23594.764      955.80906      955.80906    
Loop time of 7.87332 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.974 ns/day, 2.187 hours/ns, 127.011 timesteps/s
93.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.7827     | 7.7827     | 7.7827     |   0.0 | 98.85
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019428   | 0.019428   | 0.019428   |   0.0 |  0.25
Output  | 3.4174e-05 | 3.4174e-05 | 3.4174e-05 |   0.0 |  0.00
Modify  | 0.064775   | 0.064775   | 0.064775   |   0.0 |  0.82
Other   |            | 0.006344   |            |       |  0.08

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5459 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136976 ave      136976 max      136976 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136976
Ave neighs/atom = 68.488
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.48879569508, Press = 2.47294343321864
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     25000  -8048.6814     -8048.6814     -8124.3719     -8124.3719      292.92999      292.92999      23594.764      23594.764      955.80906      955.80906    
     26000  -8050.3496     -8050.3496     -8127.7293     -8127.7293      299.46752      299.46752      23600.464      23600.464      283.24739      283.24739    
Loop time of 9.31757 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.273 ns/day, 2.588 hours/ns, 107.324 timesteps/s
79.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.2057     | 9.2057     | 9.2057     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.029895   | 0.029895   | 0.029895   |   0.0 |  0.32
Output  | 3.4164e-05 | 3.4164e-05 | 3.4164e-05 |   0.0 |  0.00
Modify  | 0.075476   | 0.075476   | 0.075476   |   0.0 |  0.81
Other   |            | 0.00644    |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5448 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137027 ave      137027 max      137027 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137027
Ave neighs/atom = 68.5135
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.50016894231, Press = 1.16897602159527
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     26000  -8050.3496     -8050.3496     -8127.7293     -8127.7293      299.46752      299.46752      23600.464      23600.464      283.24739      283.24739    
     27000  -8051.4021     -8051.4021     -8125.7505     -8125.7505      287.73597      287.73597      23608.522      23608.522     -320.07597     -320.07597    
Loop time of 11.3176 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.634 ns/day, 3.144 hours/ns, 88.358 timesteps/s
65.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.179     | 11.179     | 11.179     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037245   | 0.037245   | 0.037245   |   0.0 |  0.33
Output  | 2.7842e-05 | 2.7842e-05 | 2.7842e-05 |   0.0 |  0.00
Modify  | 0.083628   | 0.083628   | 0.083628   |   0.0 |  0.74
Other   |            | 0.01736    |            |       |  0.15

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5455 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136986 ave      136986 max      136986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136986
Ave neighs/atom = 68.493
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.50522143871, Press = 1.97215225616955
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     27000  -8051.4021     -8051.4021     -8125.7505     -8125.7505      287.73597      287.73597      23608.522      23608.522     -320.07597     -320.07597    
     28000  -8046.4138     -8046.4138     -8120.1677     -8120.1677      285.43508      285.43508      23615.041      23615.041     -1091.3016     -1091.3016    
Loop time of 7.45967 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.582 ns/day, 2.072 hours/ns, 134.054 timesteps/s
98.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.3684     | 7.3684     | 7.3684     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019536   | 0.019536   | 0.019536   |   0.0 |  0.26
Output  | 4.2981e-05 | 4.2981e-05 | 4.2981e-05 |   0.0 |  0.00
Modify  | 0.065103   | 0.065103   | 0.065103   |   0.0 |  0.87
Other   |            | 0.006543   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5454 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136967 ave      136967 max      136967 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136967
Ave neighs/atom = 68.4835
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.622560272242, Press = 1.13936600074
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     28000  -8046.4138     -8046.4138     -8120.1677     -8120.1677      285.43508      285.43508      23615.041      23615.041     -1091.3016     -1091.3016    
     29000  -8050.6402     -8050.6402     -8126.4494     -8126.4494      293.38944      293.38944      23624.898      23624.898     -2095.3161     -2095.3161    
Loop time of 13.1532 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.569 ns/day, 3.654 hours/ns, 76.027 timesteps/s
56.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.965     | 12.965     | 12.965     |   0.0 | 98.57
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.030854   | 0.030854   | 0.030854   |   0.0 |  0.23
Output  | 3.6298e-05 | 3.6298e-05 | 3.6298e-05 |   0.0 |  0.00
Modify  | 0.13326    | 0.13326    | 0.13326    |   0.0 |  1.01
Other   |            | 0.02413    |            |       |  0.18

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5457 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137223 ave      137223 max      137223 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137223
Ave neighs/atom = 68.6115
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.71503044289, Press = 2.5478312190155
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     29000  -8050.6402     -8050.6402     -8126.4494     -8126.4494      293.38944      293.38944      23624.898      23624.898     -2095.3161     -2095.3161    
     30000  -8049.8416     -8049.8416     -8123.0212     -8123.0212      283.21248      283.21248      23609.271      23609.271     -492.30574     -492.30574    
Loop time of 13.7824 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.269 ns/day, 3.828 hours/ns, 72.556 timesteps/s
53.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.632     | 13.632     | 13.632     |   0.0 | 98.91
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.038681   | 0.038681   | 0.038681   |   0.0 |  0.28
Output  | 3.2491e-05 | 3.2491e-05 | 3.2491e-05 |   0.0 |  0.00
Modify  | 0.10549    | 0.10549    | 0.10549    |   0.0 |  0.77
Other   |            | 0.006522   |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5454 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136970 ave      136970 max      136970 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136970
Ave neighs/atom = 68.485
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.835733154824, Press = 3.88212244911655
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     30000  -8049.8416     -8049.8416     -8123.0212     -8123.0212      283.21248      283.21248      23609.271      23609.271     -492.30574     -492.30574    
     31000  -8048.8058     -8048.8058     -8125.4312     -8125.4312      296.54825      296.54825      23583.651      23583.651      1753.5936      1753.5936    
Loop time of 9.47271 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.121 ns/day, 2.631 hours/ns, 105.566 timesteps/s
78.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.3383     | 9.3383     | 9.3383     |   0.0 | 98.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.029977   | 0.029977   | 0.029977   |   0.0 |  0.32
Output  | 3.217e-05  | 3.217e-05  | 3.217e-05  |   0.0 |  0.00
Modify  | 0.087082   | 0.087082   | 0.087082   |   0.0 |  0.92
Other   |            | 0.01731    |            |       |  0.18

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5443 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137230 ave      137230 max      137230 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137230
Ave neighs/atom = 68.615
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.82448253643, Press = 4.7642679339642
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     31000  -8048.8058     -8048.8058     -8125.4312     -8125.4312      296.54825      296.54825      23583.651      23583.651      1753.5936      1753.5936    
     32000  -8053.1774     -8053.1774     -8125.7309     -8125.7309      280.78943      280.78943      23561.983      23561.983      3807.8463      3807.8463    
Loop time of 10.0692 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.581 ns/day, 2.797 hours/ns, 99.313 timesteps/s
73.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.9243     | 9.9243     | 9.9243     |   0.0 | 98.56
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.01968    | 0.01968    | 0.01968    |   0.0 |  0.20
Output  | 3.3392e-05 | 3.3392e-05 | 3.3392e-05 |   0.0 |  0.00
Modify  | 0.11877    | 0.11877    | 0.11877    |   0.0 |  1.18
Other   |            | 0.006447   |            |       |  0.06

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5456 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137140 ave      137140 max      137140 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137140
Ave neighs/atom = 68.57
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.75386539819, Press = 2.78502233783379
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     32000  -8053.1774     -8053.1774     -8125.7309     -8125.7309      280.78943      280.78943      23561.983      23561.983      3807.8463      3807.8463    
     33000  -8049.673      -8049.673      -8125.3986     -8125.3986      293.06556      293.06556      23592.792      23592.792      968.95835      968.95835    
Loop time of 11.4486 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.547 ns/day, 3.180 hours/ns, 87.347 timesteps/s
64.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.299     | 11.299     | 11.299     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019641   | 0.019641   | 0.019641   |   0.0 |  0.17
Output  | 3.1759e-05 | 3.1759e-05 | 3.1759e-05 |   0.0 |  0.00
Modify  | 0.12335    | 0.12335    | 0.12335    |   0.0 |  1.08
Other   |            | 0.006456   |            |       |  0.06

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5454 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137110 ave      137110 max      137110 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137110
Ave neighs/atom = 68.555
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.694482618604, Press = 1.08095000757127
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     33000  -8049.673      -8049.673      -8125.3986     -8125.3986      293.06556      293.06556      23592.792      23592.792      968.95835      968.95835    
     34000  -8052.4469     -8052.4469     -8124.8764     -8124.8764      280.30987      280.30987      23597.798      23597.798      494.99183      494.99183    
Loop time of 12.9953 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.649 ns/day, 3.610 hours/ns, 76.951 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    | 12.784     | 12.784     | 12.784     |   0.0 | 98.37
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.029943   | 0.029943   | 0.029943   |   0.0 |  0.23
Output  | 3.2542e-05 | 3.2542e-05 | 3.2542e-05 |   0.0 |  0.00
Modify  | 0.16436    | 0.16436    | 0.16436    |   0.0 |  1.26
Other   |            | 0.0171     |            |       |  0.13

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5448 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137112 ave      137112 max      137112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137112
Ave neighs/atom = 68.556
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.686499633481, Press = 0.804690147482236
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     34000  -8052.4469     -8052.4469     -8124.8764     -8124.8764      280.30987      280.30987      23597.798      23597.798      494.99183      494.99183    
     35000  -8049.7199     -8049.7199     -8123.0044     -8123.0044      283.61859      283.61859      23610.187      23610.187     -528.35377     -528.35377    
Loop time of 13.4871 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.406 ns/day, 3.746 hours/ns, 74.145 timesteps/s
54.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.345     | 13.345     | 13.345     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040519   | 0.040519   | 0.040519   |   0.0 |  0.30
Output  | 2.9366e-05 | 2.9366e-05 | 2.9366e-05 |   0.0 |  0.00
Modify  | 0.094741   | 0.094741   | 0.094741   |   0.0 |  0.70
Other   |            | 0.006595   |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5460 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137085 ave      137085 max      137085 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137085
Ave neighs/atom = 68.5425
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.675532222793, Press = 0.378562411204174
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     35000  -8049.7199     -8049.7199     -8123.0044     -8123.0044      283.61859      283.61859      23610.187      23610.187     -528.35377     -528.35377    
     36000  -8052.7755     -8052.7755     -8126.2596     -8126.2596      284.39098      284.39098      23625.607      23625.607     -1851.3478     -1851.3478    
Loop time of 10.1907 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.478 ns/day, 2.831 hours/ns, 98.129 timesteps/s
73.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.046     | 10.046     | 10.046     |   0.0 | 98.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.029663   | 0.029663   | 0.029663   |   0.0 |  0.29
Output  | 3.0758e-05 | 3.0758e-05 | 3.0758e-05 |   0.0 |  0.00
Modify  | 0.10827    | 0.10827    | 0.10827    |   0.0 |  1.06
Other   |            | 0.006561   |            |       |  0.06

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5454 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137092 ave      137092 max      137092 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137092
Ave neighs/atom = 68.546
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.627644993281, Press = 0.674719823667742
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     36000  -8052.7755     -8052.7755     -8126.2596     -8126.2596      284.39098      284.39098      23625.607      23625.607     -1851.3478     -1851.3478    
     37000  -8049.6814     -8049.6814     -8126.5725     -8126.5725      297.57657      297.57657      23634.641      23634.641     -2773.424      -2773.424     
Loop time of 10.1803 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.487 ns/day, 2.828 hours/ns, 98.229 timesteps/s
72.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.025     | 10.025     | 10.025     |   0.0 | 98.47
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019495   | 0.019495   | 0.019495   |   0.0 |  0.19
Output  | 4.9323e-05 | 4.9323e-05 | 4.9323e-05 |   0.0 |  0.00
Modify  | 0.11917    | 0.11917    | 0.11917    |   0.0 |  1.17
Other   |            | 0.01678    |            |       |  0.16

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5457 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136981 ave      136981 max      136981 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136981
Ave neighs/atom = 68.4905
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.602128264974, Press = 2.41761584817997
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     37000  -8049.6814     -8049.6814     -8126.5725     -8126.5725      297.57657      297.57657      23634.641      23634.641     -2773.424      -2773.424     
     38000  -8050.6667     -8050.6667     -8125.2355     -8125.2355      288.58876      288.58876      23608.959      23608.959     -293.87587     -293.87587    
Loop time of 12.1567 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.107 ns/day, 3.377 hours/ns, 82.259 timesteps/s
60.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.018     | 12.018     | 12.018     |   0.0 | 98.86
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032512   | 0.032512   | 0.032512   |   0.0 |  0.27
Output  | 3.3072e-05 | 3.3072e-05 | 3.3072e-05 |   0.0 |  0.00
Modify  | 0.089005   | 0.089005   | 0.089005   |   0.0 |  0.73
Other   |            | 0.01713    |            |       |  0.14

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5460 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137012 ave      137012 max      137012 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137012
Ave neighs/atom = 68.506
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.53263447661, Press = 3.36338838982708
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     38000  -8050.6667     -8050.6667     -8125.2355     -8125.2355      288.58876      288.58876      23608.959      23608.959     -293.87587     -293.87587    
     39000  -8053.0345     -8053.0345     -8126.9943     -8126.9943      286.23214      286.23214      23586.187      23586.187      1538.3352      1538.3352    
Loop time of 11.9846 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.209 ns/day, 3.329 hours/ns, 83.440 timesteps/s
61.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.78      | 11.78      | 11.78      |   0.0 | 98.29
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.066988   | 0.066988   | 0.066988   |   0.0 |  0.56
Output  | 3.3774e-05 | 3.3774e-05 | 3.3774e-05 |   0.0 |  0.00
Modify  | 0.12068    | 0.12068    | 0.12068    |   0.0 |  1.01
Other   |            | 0.0169     |            |       |  0.14

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5438 ave        5438 max        5438 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136980 ave      136980 max      136980 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136980
Ave neighs/atom = 68.49
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.528208309384, Press = 2.46107558436732
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     39000  -8053.0345     -8053.0345     -8126.9943     -8126.9943      286.23214      286.23214      23586.187      23586.187      1538.3352      1538.3352    
     40000  -8051.9208     -8051.9208     -8125.6783     -8125.6783      285.44913      285.44913      23586.691      23586.691      1511.7757      1511.7757    
Loop time of 12.6837 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.812 ns/day, 3.523 hours/ns, 78.842 timesteps/s
57.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.556     | 12.556     | 12.556     |   0.0 | 98.99
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.030195   | 0.030195   | 0.030195   |   0.0 |  0.24
Output  | 3.203e-05  | 3.203e-05  | 3.203e-05  |   0.0 |  0.00
Modify  | 0.091332   | 0.091332   | 0.091332   |   0.0 |  0.72
Other   |            | 0.00644    |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5446 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137014 ave      137014 max      137014 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137014
Ave neighs/atom = 68.507
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.534128590794, Press = 1.14200375807278
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     40000  -8051.9208     -8051.9208     -8125.6783     -8125.6783      285.44913      285.44913      23586.691      23586.691      1511.7757      1511.7757    
     41000  -8049.5388     -8049.5388     -8124.1767     -8124.1767      288.85652      288.85652      23597.278      23597.278      675.77181      675.77181    
Loop time of 12.8085 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.746 ns/day, 3.558 hours/ns, 78.073 timesteps/s
57.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.673     | 12.673     | 12.673     |   0.0 | 98.94
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032645   | 0.032645   | 0.032645   |   0.0 |  0.25
Output  | 3.5417e-05 | 3.5417e-05 | 3.5417e-05 |   0.0 |  0.00
Modify  | 0.096672   | 0.096672   | 0.096672   |   0.0 |  0.75
Other   |            | 0.006676   |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5465 ave        5465 max        5465 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137094 ave      137094 max      137094 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137094
Ave neighs/atom = 68.547
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.596195041526, Press = 0.622630197609128
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     41000  -8049.5388     -8049.5388     -8124.1767     -8124.1767      288.85652      288.85652      23597.278      23597.278      675.77181      675.77181    
     42000  -8050.4792     -8050.4792     -8126.1819     -8126.1819      292.97709      292.97709      23604.854      23604.854     -83.165407     -83.165407    
Loop time of 11.8929 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.265 ns/day, 3.304 hours/ns, 84.084 timesteps/s
62.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.755     | 11.755     | 11.755     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019712   | 0.019712   | 0.019712   |   0.0 |  0.17
Output  | 3.4915e-05 | 3.4915e-05 | 3.4915e-05 |   0.0 |  0.00
Modify  | 0.11132    | 0.11132    | 0.11132    |   0.0 |  0.94
Other   |            | 0.006688   |            |       |  0.06

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5455 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137092 ave      137092 max      137092 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137092
Ave neighs/atom = 68.546
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.542406229286, Press = 0.642329436358719
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     42000  -8050.4792     -8050.4792     -8126.1819     -8126.1819      292.97709      292.97709      23604.854      23604.854     -83.165407     -83.165407    
     43000  -8052.3354     -8052.3354     -8127.6659     -8127.6659      291.537        291.537        23604.557      23604.557     -44.169871     -44.169871    
Loop time of 13.3718 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.461 ns/day, 3.714 hours/ns, 74.784 timesteps/s
55.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.246     | 13.246     | 13.246     |   0.0 | 99.06
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019632   | 0.019632   | 0.019632   |   0.0 |  0.15
Output  | 3.6158e-05 | 3.6158e-05 | 3.6158e-05 |   0.0 |  0.00
Modify  | 0.099084   | 0.099084   | 0.099084   |   0.0 |  0.74
Other   |            | 0.006609   |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5453 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137058 ave      137058 max      137058 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137058
Ave neighs/atom = 68.529
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.53163570402, Press = 0.819873003519641
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     43000  -8052.3354     -8052.3354     -8127.6659     -8127.6659      291.537        291.537        23604.557      23604.557     -44.169871     -44.169871    
     44000  -8049.3515     -8049.3515     -8123.7977     -8123.7977      288.11447      288.11447      23611.676      23611.676     -781.5332      -781.5332     
Loop time of 13.5471 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.378 ns/day, 3.763 hours/ns, 73.816 timesteps/s
54.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.352     | 13.352     | 13.352     |   0.0 | 98.56
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040849   | 0.040849   | 0.040849   |   0.0 |  0.30
Output  | 3.4484e-05 | 3.4484e-05 | 3.4484e-05 |   0.0 |  0.00
Modify  | 0.13764    | 0.13764    | 0.13764    |   0.0 |  1.02
Other   |            | 0.01702    |            |       |  0.13

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5441 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137015 ave      137015 max      137015 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137015
Ave neighs/atom = 68.5075
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.507902226544, Press = 0.63114471205351
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     44000  -8049.3515     -8049.3515     -8123.7977     -8123.7977      288.11447      288.11447      23611.676      23611.676     -781.5332      -781.5332     
     45000  -8050.5661     -8050.5661     -8127.6901     -8127.6901      298.47787      298.47787      23605.037      23605.037     -39.240046     -39.240046    
Loop time of 14.8742 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.809 ns/day, 4.132 hours/ns, 67.231 timesteps/s
49.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.673     | 14.673     | 14.673     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037668   | 0.037668   | 0.037668   |   0.0 |  0.25
Output  | 0.00015447 | 0.00015447 | 0.00015447 |   0.0 |  0.00
Modify  | 0.14038    | 0.14038    | 0.14038    |   0.0 |  0.94
Other   |            | 0.02315    |            |       |  0.16

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5455 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137003 ave      137003 max      137003 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137003
Ave neighs/atom = 68.5015
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.564876510124, Press = 0.860439438378399
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     45000  -8050.5661     -8050.5661     -8127.6901     -8127.6901      298.47787      298.47787      23605.037      23605.037     -39.240046     -39.240046    
     46000  -8050.0038     -8050.0038     -8125.8575     -8125.8575      293.56189      293.56189      23603.823      23603.823      18.902869      18.902869    
Loop time of 13.7955 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.263 ns/day, 3.832 hours/ns, 72.487 timesteps/s
53.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.629     | 13.629     | 13.629     |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.030581   | 0.030581   | 0.030581   |   0.0 |  0.22
Output  | 3.5447e-05 | 3.5447e-05 | 3.5447e-05 |   0.0 |  0.00
Modify  | 0.11916    | 0.11916    | 0.11916    |   0.0 |  0.86
Other   |            | 0.01705    |            |       |  0.12

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5447 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136973 ave      136973 max      136973 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136973
Ave neighs/atom = 68.4865
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.569928857652, Press = 0.686946785491306
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     46000  -8050.0038     -8050.0038     -8125.8575     -8125.8575      293.56189      293.56189      23603.823      23603.823      18.902869      18.902869    
     47000  -8052.912      -8052.912      -8125.6445     -8125.6445      281.4824       281.4824       23602.773      23602.773     -71.484376     -71.484376    
Loop time of 13.5416 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.380 ns/day, 3.762 hours/ns, 73.847 timesteps/s
54.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.363     | 13.363     | 13.363     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041222   | 0.041222   | 0.041222   |   0.0 |  0.30
Output  | 2.8484e-05 | 2.8484e-05 | 2.8484e-05 |   0.0 |  0.00
Modify  | 0.13055    | 0.13055    | 0.13055    |   0.0 |  0.96
Other   |            | 0.006566   |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5449 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137032 ave      137032 max      137032 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137032
Ave neighs/atom = 68.516
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.561984511178, Press = 0.642401542928863
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     47000  -8052.912      -8052.912      -8125.6445     -8125.6445      281.4824       281.4824       23602.773      23602.773     -71.484376     -71.484376    
     48000  -8050.0399     -8050.0399     -8123.8544     -8123.8544      285.66954      285.66954      23601.609      23601.609      207.98298      207.98298    
Loop time of 13.38 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.457 ns/day, 3.717 hours/ns, 74.738 timesteps/s
55.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.244     | 13.244     | 13.244     |   0.0 | 98.99
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.0195     | 0.0195     | 0.0195     |   0.0 |  0.15
Output  | 3.0047e-05 | 3.0047e-05 | 3.0047e-05 |   0.0 |  0.00
Modify  | 0.10955    | 0.10955    | 0.10955    |   0.0 |  0.82
Other   |            | 0.006596   |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5455 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137066 ave      137066 max      137066 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137066
Ave neighs/atom = 68.533
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.547056514615, Press = 0.552870624486343
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     48000  -8050.0399     -8050.0399     -8123.8544     -8123.8544      285.66954      285.66954      23601.609      23601.609      207.98298      207.98298    
     49000  -8051.816      -8051.816      -8125.4436     -8125.4436      284.94631      284.94631      23599.934      23599.934      278.62608      278.62608    
Loop time of 14.3508 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.021 ns/day, 3.986 hours/ns, 69.683 timesteps/s
51.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.183     | 14.183     | 14.183     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041523   | 0.041523   | 0.041523   |   0.0 |  0.29
Output  | 7.3468e-05 | 7.3468e-05 | 7.3468e-05 |   0.0 |  0.00
Modify  | 0.098488   | 0.098488   | 0.098488   |   0.0 |  0.69
Other   |            | 0.02738    |            |       |  0.19

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5453 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137122 ave      137122 max      137122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137122
Ave neighs/atom = 68.561
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.49455155842, Press = 0.538313046711254
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     49000  -8051.816      -8051.816      -8125.4436     -8125.4436      284.94631      284.94631      23599.934      23599.934      278.62608      278.62608    
     50000  -8052.4574     -8052.4574     -8128.9494     -8128.9494      296.03194      296.03194      23600.441      23600.441      232.6746       232.6746     
Loop time of 10.2405 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.437 ns/day, 2.845 hours/ns, 97.651 timesteps/s
72.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.113     | 10.113     | 10.113     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019594   | 0.019594   | 0.019594   |   0.0 |  0.19
Output  | 6.3339e-05 | 6.3339e-05 | 6.3339e-05 |   0.0 |  0.00
Modify  | 0.10105    | 0.10105    | 0.10105    |   0.0 |  0.99
Other   |            | 0.006538   |            |       |  0.06

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5453 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137090 ave      137090 max      137090 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137090
Ave neighs/atom = 68.545
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.502786632565, Press = 0.13560917081306
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     50000  -8052.4574     -8052.4574     -8128.9494     -8128.9494      296.03194      296.03194      23600.441      23600.441      232.6746       232.6746     
     51000  -8050.5571     -8050.5571     -8127.6594     -8127.6594      298.39359      298.39359      23610.918      23610.918     -623.34242     -623.34242    
Loop time of 15.0178 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.753 ns/day, 4.172 hours/ns, 66.588 timesteps/s
49.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.887     | 14.887     | 14.887     |   0.0 | 99.13
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019605   | 0.019605   | 0.019605   |   0.0 |  0.13
Output  | 6.5463e-05 | 6.5463e-05 | 6.5463e-05 |   0.0 |  0.00
Modify  | 0.10483    | 0.10483    | 0.10483    |   0.0 |  0.70
Other   |            | 0.006518   |            |       |  0.04

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5451 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136942 ave      136942 max      136942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136942
Ave neighs/atom = 68.471
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.504625219921, Press = 0.0343343169198041
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     51000  -8050.5571     -8050.5571     -8127.6594     -8127.6594      298.39359      298.39359      23610.918      23610.918     -623.34242     -623.34242    
     52000  -8051.1708     -8051.1708     -8126.5704     -8126.5704      291.80459      291.80459      23620.834      23620.834     -1517.9662     -1517.9662    
Loop time of 13.7142 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.300 ns/day, 3.810 hours/ns, 72.917 timesteps/s
53.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.548     | 13.548     | 13.548     |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.030144   | 0.030144   | 0.030144   |   0.0 |  0.22
Output  | 3.3223e-05 | 3.3223e-05 | 3.3223e-05 |   0.0 |  0.00
Modify  | 0.12983    | 0.12983    | 0.12983    |   0.0 |  0.95
Other   |            | 0.006548   |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5462 ave        5462 max        5462 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137011 ave      137011 max      137011 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137011
Ave neighs/atom = 68.5055
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.562555035616, Press = -0.0145412269045749
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     52000  -8051.1708     -8051.1708     -8126.5704     -8126.5704      291.80459      291.80459      23620.834      23620.834     -1517.9662     -1517.9662    
     53000  -8047.4472     -8047.4472     -8124.2874     -8124.2874      297.37926      297.37926      23629.796      23629.796     -2210.6445     -2210.6445    
Loop time of 15.2003 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.684 ns/day, 4.222 hours/ns, 65.788 timesteps/s
48.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.992     | 14.992     | 14.992     |   0.0 | 98.63
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.060529   | 0.060529   | 0.060529   |   0.0 |  0.40
Output  | 4.7048e-05 | 4.7048e-05 | 4.7048e-05 |   0.0 |  0.00
Modify  | 0.14006    | 0.14006    | 0.14006    |   0.0 |  0.92
Other   |            | 0.007395   |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5456 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136950 ave      136950 max      136950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136950
Ave neighs/atom = 68.475
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.613208554259, Press = 0.759430013771692
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     53000  -8047.4472     -8047.4472     -8124.2874     -8124.2874      297.37926      297.37926      23629.796      23629.796     -2210.6445     -2210.6445    
     54000  -8050.3349     -8050.3349     -8123.7028     -8123.7028      283.9416       283.9416       23616.404      23616.404     -1123.1333     -1123.1333    
Loop time of 16.2496 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.317 ns/day, 4.514 hours/ns, 61.540 timesteps/s
46.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 16.048     | 16.048     | 16.048     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.058558   | 0.058558   | 0.058558   |   0.0 |  0.36
Output  | 5.6747e-05 | 5.6747e-05 | 5.6747e-05 |   0.0 |  0.00
Modify  | 0.13655    | 0.13655    | 0.13655    |   0.0 |  0.84
Other   |            | 0.006759   |            |       |  0.04

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5448 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136992 ave      136992 max      136992 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136992
Ave neighs/atom = 68.496
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.600505597986, Press = 1.6696710651872
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     54000  -8050.3349     -8050.3349     -8123.7028     -8123.7028      283.9416       283.9416       23616.404      23616.404     -1123.1333     -1123.1333    
     55000  -8050.2468     -8050.2468     -8124.1492     -8124.1492      286.00985      286.00985      23588.911      23588.911      1273.7155      1273.7155    
Loop time of 12.629 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.841 ns/day, 3.508 hours/ns, 79.183 timesteps/s
60.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.481     | 12.481     | 12.481     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041627   | 0.041627   | 0.041627   |   0.0 |  0.33
Output  | 4.2489e-05 | 4.2489e-05 | 4.2489e-05 |   0.0 |  0.00
Modify  | 0.10002    | 0.10002    | 0.10002    |   0.0 |  0.79
Other   |            | 0.006644   |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5438 ave        5438 max        5438 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137083 ave      137083 max      137083 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137083
Ave neighs/atom = 68.5415
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.59972151695, Press = 1.70888558204751
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     55000  -8050.2468     -8050.2468     -8124.1492     -8124.1492      286.00985      286.00985      23588.911      23588.911      1273.7155      1273.7155    
     56000  -8050.4925     -8050.4925     -8123.5378     -8123.5378      282.69278      282.69278      23584.982      23584.982      1767.6508      1767.6508    
Loop time of 12.3725 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.983 ns/day, 3.437 hours/ns, 80.824 timesteps/s
63.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.244     | 12.244     | 12.244     |   0.0 | 98.96
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020516   | 0.020516   | 0.020516   |   0.0 |  0.17
Output  | 3.2752e-05 | 3.2752e-05 | 3.2752e-05 |   0.0 |  0.00
Modify  | 0.10107    | 0.10107    | 0.10107    |   0.0 |  0.82
Other   |            | 0.006679   |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5441 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137090 ave      137090 max      137090 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137090
Ave neighs/atom = 68.545
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.605164018996, Press = 0.657532600227672
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     56000  -8050.4925     -8050.4925     -8123.5378     -8123.5378      282.69278      282.69278      23584.982      23584.982      1767.6508      1767.6508    
     57000  -8052.0861     -8052.0861     -8125.5377     -8125.5377      284.26514      284.26514      23594.778      23594.778      800.83107      800.83107    
Loop time of 9.47049 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.123 ns/day, 2.631 hours/ns, 105.591 timesteps/s
82.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.364      | 9.364      | 9.364      |   0.0 | 98.88
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031584   | 0.031584   | 0.031584   |   0.0 |  0.33
Output  | 4.5476e-05 | 4.5476e-05 | 4.5476e-05 |   0.0 |  0.00
Modify  | 0.06816    | 0.06816    | 0.06816    |   0.0 |  0.72
Other   |            | 0.006717   |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5456 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137184 ave      137184 max      137184 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137184
Ave neighs/atom = 68.592
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.627050273464, Press = 0.185141528310541
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     57000  -8052.0861     -8052.0861     -8125.5377     -8125.5377      284.26514      284.26514      23594.778      23594.778      800.83107      800.83107    
     58000  -8049.0347     -8049.0347     -8126.8752     -8126.8752      301.25089      301.25089      23603.592      23603.592      118.44276      118.44276    
Loop time of 9.71337 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.895 ns/day, 2.698 hours/ns, 102.951 timesteps/s
79.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.6168     | 9.6168     | 9.6168     |   0.0 | 99.01
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020563   | 0.020563   | 0.020563   |   0.0 |  0.21
Output  | 3.76e-05   | 3.76e-05   | 3.76e-05   |   0.0 |  0.00
Modify  | 0.068457   | 0.068457   | 0.068457   |   0.0 |  0.70
Other   |            | 0.007477   |            |       |  0.08

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5450 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137070 ave      137070 max      137070 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137070
Ave neighs/atom = 68.535
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.63201089593, Press = 0.0271549322288516
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     58000  -8049.0347     -8049.0347     -8126.8752     -8126.8752      301.25089      301.25089      23603.592      23603.592      118.44276      118.44276    
     59000  -8050.3742     -8050.3742     -8126.4558     -8126.4558      294.44355      294.44355      23610.861      23610.861     -662.89744     -662.89744    
Loop time of 9.83103 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.788 ns/day, 2.731 hours/ns, 101.719 timesteps/s
79.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.7091     | 9.7091     | 9.7091     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020752   | 0.020752   | 0.020752   |   0.0 |  0.21
Output  | 3.5607e-05 | 3.5607e-05 | 3.5607e-05 |   0.0 |  0.00
Modify  | 0.093877   | 0.093877   | 0.093877   |   0.0 |  0.95
Other   |            | 0.007306   |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5435 ave        5435 max        5435 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137035 ave      137035 max      137035 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137035
Ave neighs/atom = 68.5175
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.641166427239, Press = -0.131575308774183
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     59000  -8050.3742     -8050.3742     -8126.4558     -8126.4558      294.44355      294.44355      23610.861      23610.861     -662.89744     -662.89744    
     60000  -8051.3934     -8051.3934     -8127.1993     -8127.1993      293.37655      293.37655      23621.707      23621.707     -1698.0507     -1698.0507    
Loop time of 9.45448 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.139 ns/day, 2.626 hours/ns, 105.770 timesteps/s
82.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.3214     | 9.3214     | 9.3214     |   0.0 | 98.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04362    | 0.04362    | 0.04362    |   0.0 |  0.46
Output  | 4.0236e-05 | 4.0236e-05 | 4.0236e-05 |   0.0 |  0.00
Modify  | 0.079492   | 0.079492   | 0.079492   |   0.0 |  0.84
Other   |            | 0.009882   |            |       |  0.10

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5444 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136950 ave      136950 max      136950 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136950
Ave neighs/atom = 68.475
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.608161706952, Press = 0.110434304825871
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     60000  -8051.3934     -8051.3934     -8127.1993     -8127.1993      293.37655      293.37655      23621.707      23621.707     -1698.0507     -1698.0507    
     61000  -8051.9738     -8051.9738     -8127.3918     -8127.3918      291.87563      291.87563      23620.651      23620.651     -1602.8361     -1602.8361    
Loop time of 11.1136 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.774 ns/day, 3.087 hours/ns, 89.980 timesteps/s
69.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.982     | 10.982     | 10.982     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020818   | 0.020818   | 0.020818   |   0.0 |  0.19
Output  | 6.2237e-05 | 6.2237e-05 | 6.2237e-05 |   0.0 |  0.00
Modify  | 0.10371    | 0.10371    | 0.10371    |   0.0 |  0.93
Other   |            | 0.006901   |            |       |  0.06

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5461 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136941 ave      136941 max      136941 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136941
Ave neighs/atom = 68.4705
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.601363357728, Press = 0.846704484249367
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     61000  -8051.9738     -8051.9738     -8127.3918     -8127.3918      291.87563      291.87563      23620.651      23620.651     -1602.8361     -1602.8361    
     62000  -8048.4827     -8048.4827     -8124.1418     -8124.1418      292.80857      292.80857      23604.685      23604.685      111.39179      111.39179    
Loop time of 9.5354 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.061 ns/day, 2.649 hours/ns, 104.872 timesteps/s
79.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.4307     | 9.4307     | 9.4307     |   0.0 | 98.90
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.030488   | 0.030488   | 0.030488   |   0.0 |  0.32
Output  | 3.6498e-05 | 3.6498e-05 | 3.6498e-05 |   0.0 |  0.00
Modify  | 0.067401   | 0.067401   | 0.067401   |   0.0 |  0.71
Other   |            | 0.006757   |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5458 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136922 ave      136922 max      136922 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136922
Ave neighs/atom = 68.461
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.569142418689, Press = 1.41819741919431
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     62000  -8048.4827     -8048.4827     -8124.1418     -8124.1418      292.80857      292.80857      23604.685      23604.685      111.39179      111.39179    
     63000  -8049.2246     -8049.2246     -8126.2758     -8126.2758      298.19615      298.19615      23574.283      23574.283      2670.4738      2670.4738    
Loop time of 11.0835 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.795 ns/day, 3.079 hours/ns, 90.224 timesteps/s
69.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.989     | 10.989     | 10.989     |   0.0 | 99.15
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020269   | 0.020269   | 0.020269   |   0.0 |  0.18
Output  | 2.8413e-05 | 2.8413e-05 | 2.8413e-05 |   0.0 |  0.00
Modify  | 0.067697   | 0.067697   | 0.067697   |   0.0 |  0.61
Other   |            | 0.006643   |            |       |  0.06

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5451 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137122 ave      137122 max      137122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137122
Ave neighs/atom = 68.561
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.577036550031, Press = 1.42171439634257
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     63000  -8049.2246     -8049.2246     -8126.2758     -8126.2758      298.19615      298.19615      23574.283      23574.283      2670.4738      2670.4738    
     64000  -8050.5849     -8050.5849     -8124.6882     -8124.6882      286.78727      286.78727      23574.625      23574.625      2748.6232      2748.6232    
Loop time of 13.23 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.531 ns/day, 3.675 hours/ns, 75.586 timesteps/s
58.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 13.061     | 13.061     | 13.061     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.051506   | 0.051506   | 0.051506   |   0.0 |  0.39
Output  | 4.3562e-05 | 4.3562e-05 | 4.3562e-05 |   0.0 |  0.00
Modify  | 0.11023    | 0.11023    | 0.11023    |   0.0 |  0.83
Other   |            | 0.00682    |            |       |  0.05

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5453 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137112 ave      137112 max      137112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137112
Ave neighs/atom = 68.556
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.635922491706, Press = 0.346137484456787
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     64000  -8050.5849     -8050.5849     -8124.6882     -8124.6882      286.78727      286.78727      23574.625      23574.625      2748.6232      2748.6232    
     65000  -8047.1608     -8047.1608     -8124.1857     -8124.1857      298.09422      298.09422      23593.842      23593.842      936.3123       936.3123     
Loop time of 11.1495 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.749 ns/day, 3.097 hours/ns, 89.690 timesteps/s
69.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.032     | 11.032     | 11.032     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020267   | 0.020267   | 0.020267   |   0.0 |  0.18
Output  | 4.7239e-05 | 4.7239e-05 | 4.7239e-05 |   0.0 |  0.00
Modify  | 0.089944   | 0.089944   | 0.089944   |   0.0 |  0.81
Other   |            | 0.006837   |            |       |  0.06

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5447 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137192 ave      137192 max      137192 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137192
Ave neighs/atom = 68.596
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.668772540039, Press = 0.0466646107552051
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     65000  -8047.1608     -8047.1608     -8124.1857     -8124.1857      298.09422      298.09422      23593.842      23593.842      936.3123       936.3123     
     66000  -8050.6096     -8050.6096     -8125.5686     -8125.5686      290.0993       290.0993       23605.59       23605.59      -314.55372     -314.55372    
Loop time of 10.2347 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.442 ns/day, 2.843 hours/ns, 97.707 timesteps/s
76.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.081     | 10.081     | 10.081     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021565   | 0.021565   | 0.021565   |   0.0 |  0.21
Output  | 7.3769e-05 | 7.3769e-05 | 7.3769e-05 |   0.0 |  0.00
Modify  | 0.12478    | 0.12478    | 0.12478    |   0.0 |  1.22
Other   |            | 0.006767   |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5452 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137095 ave      137095 max      137095 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137095
Ave neighs/atom = 68.5475
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.685127629058, Press = -0.261034939864727
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     66000  -8050.6096     -8050.6096     -8125.5686     -8125.5686      290.0993       290.0993       23605.59       23605.59      -314.55372     -314.55372    
     67000  -8052.0834     -8052.0834     -8126.6169     -8126.6169      288.45252      288.45252      23613.915      23613.915     -902.23731     -902.23731    
Loop time of 9.96406 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.671 ns/day, 2.768 hours/ns, 100.361 timesteps/s
78.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.8446     | 9.8446     | 9.8446     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.030963   | 0.030963   | 0.030963   |   0.0 |  0.31
Output  | 6.2768e-05 | 6.2768e-05 | 6.2768e-05 |   0.0 |  0.00
Modify  | 0.081391   | 0.081391   | 0.081391   |   0.0 |  0.82
Other   |            | 0.007056   |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5443 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137089 ave      137089 max      137089 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137089
Ave neighs/atom = 68.5445
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.680765900393, Press = -0.246519391464037
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     67000  -8052.0834     -8052.0834     -8126.6169     -8126.6169      288.45252      288.45252      23613.915      23613.915     -902.23731     -902.23731    
     68000  -8049.3932     -8049.3932     -8124.5361     -8124.5361      290.81082      290.81082      23642.182      23642.182     -3486.2438     -3486.2438    
Loop time of 13.0336 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.629 ns/day, 3.620 hours/ns, 76.725 timesteps/s
59.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.872     | 12.872     | 12.872     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031529   | 0.031529   | 0.031529   |   0.0 |  0.24
Output  | 0.00046928 | 0.00046928 | 0.00046928 |   0.0 |  0.00
Modify  | 0.12075    | 0.12075    | 0.12075    |   0.0 |  0.93
Other   |            | 0.009092   |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5459 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136987 ave      136987 max      136987 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136987
Ave neighs/atom = 68.4935
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.64754090137, Press = 0.130461962919558
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     68000  -8049.3932     -8049.3932     -8124.5361     -8124.5361      290.81082      290.81082      23642.182      23642.182     -3486.2438     -3486.2438    
     69000  -8053.3422     -8053.3422     -8128.3529     -8128.3529      290.29911      290.29911      23630.715      23630.715     -2609.8892     -2609.8892    
Loop time of 12.5805 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.868 ns/day, 3.495 hours/ns, 79.488 timesteps/s
61.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.396     | 12.396     | 12.396     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.053899   | 0.053899   | 0.053899   |   0.0 |  0.43
Output  | 3.4444e-05 | 3.4444e-05 | 3.4444e-05 |   0.0 |  0.00
Modify  | 0.11103    | 0.11103    | 0.11103    |   0.0 |  0.88
Other   |            | 0.01953    |            |       |  0.16

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5451 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136946 ave      136946 max      136946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136946
Ave neighs/atom = 68.473
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.626041260349, Press = 1.19411061359529
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     69000  -8053.3422     -8053.3422     -8128.3529     -8128.3529      290.29911      290.29911      23630.715      23630.715     -2609.8892     -2609.8892    
     70000  -8051.025      -8051.025      -8125.1018     -8125.1018      286.68487      286.68487      23600.358      23600.358      284.3342       284.3342     
Loop time of 9.35877 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.232 ns/day, 2.600 hours/ns, 106.852 timesteps/s
83.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.2418     | 9.2418     | 9.2418     |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.030853   | 0.030853   | 0.030853   |   0.0 |  0.33
Output  | 6.6325e-05 | 6.6325e-05 | 6.6325e-05 |   0.0 |  0.00
Modify  | 0.0785     | 0.0785     | 0.0785     |   0.0 |  0.84
Other   |            | 0.007596   |            |       |  0.08

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5439 ave        5439 max        5439 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136912 ave      136912 max      136912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136912
Ave neighs/atom = 68.456
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.641500277599, Press = 1.17897641607671
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     70000  -8051.025      -8051.025      -8125.1018     -8125.1018      286.68487      286.68487      23600.358      23600.358      284.3342       284.3342     
     71000  -8049.7176     -8049.7176     -8124.8708     -8124.8708      290.85032      290.85032      23589.647      23589.647      1337.1394      1337.1394    
Loop time of 8.93297 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.672 ns/day, 2.481 hours/ns, 111.945 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    | 8.8188     | 8.8188     | 8.8188     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025275   | 0.025275   | 0.025275   |   0.0 |  0.28
Output  | 0.00015249 | 0.00015249 | 0.00015249 |   0.0 |  0.00
Modify  | 0.075487   | 0.075487   | 0.075487   |   0.0 |  0.85
Other   |            | 0.01322    |            |       |  0.15

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5430 ave        5430 max        5430 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137074 ave      137074 max      137074 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137074
Ave neighs/atom = 68.537
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.666351479931, Press = 0.599442436517943
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     71000  -8049.7176     -8049.7176     -8124.8708     -8124.8708      290.85032      290.85032      23589.647      23589.647      1337.1394      1337.1394    
     72000  -8052.8036     -8052.8036     -8127.4258     -8127.4258      288.79557      288.79557      23590.138      23590.138      1047.2228      1047.2228    
Loop time of 9.74998 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.862 ns/day, 2.708 hours/ns, 102.564 timesteps/s
79.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.652      | 9.652      | 9.652      |   0.0 | 98.99
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020829   | 0.020829   | 0.020829   |   0.0 |  0.21
Output  | 9.8034e-05 | 9.8034e-05 | 9.8034e-05 |   0.0 |  0.00
Modify  | 0.06976    | 0.06976    | 0.06976    |   0.0 |  0.72
Other   |            | 0.007313   |            |       |  0.08

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5458 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137087 ave      137087 max      137087 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137087
Ave neighs/atom = 68.5435
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.696603191381, Press = 0.0941807642680113
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     72000  -8052.8036     -8052.8036     -8127.4258     -8127.4258      288.79557      288.79557      23590.138      23590.138      1047.2228      1047.2228    
     73000  -8050.3072     -8050.3072     -8127.4944     -8127.4944      298.72231      298.72231      23602.458      23602.458     -0.2149863     -0.2149863    
Loop time of 10.1621 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.502 ns/day, 2.823 hours/ns, 98.405 timesteps/s
76.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.044     | 10.044     | 10.044     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020705   | 0.020705   | 0.020705   |   0.0 |  0.20
Output  | 4.4694e-05 | 4.4694e-05 | 4.4694e-05 |   0.0 |  0.00
Modify  | 0.079929   | 0.079929   | 0.079929   |   0.0 |  0.79
Other   |            | 0.01735    |            |       |  0.17

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5444 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137088 ave      137088 max      137088 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137088
Ave neighs/atom = 68.544
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.677231845312, Press = 0.029586022256905
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     73000  -8050.3072     -8050.3072     -8127.4944     -8127.4944      298.72231      298.72231      23602.458      23602.458     -0.2149863     -0.2149863    
     74000  -8052.6357     -8052.6357     -8127.6534     -8127.6534      290.32638      290.32638      23598.219      23598.219      474.94491      474.94491    
Loop time of 8.13439 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.622 ns/day, 2.260 hours/ns, 122.935 timesteps/s
95.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.0274     | 8.0274     | 8.0274     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.030552   | 0.030552   | 0.030552   |   0.0 |  0.38
Output  | 7.5101e-05 | 7.5101e-05 | 7.5101e-05 |   0.0 |  0.00
Modify  | 0.069405   | 0.069405   | 0.069405   |   0.0 |  0.85
Other   |            | 0.006929   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5438 ave        5438 max        5438 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137094 ave      137094 max      137094 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137094
Ave neighs/atom = 68.547
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.671370039422, Press = -0.0669386213949291
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     74000  -8052.6357     -8052.6357     -8127.6534     -8127.6534      290.32638      290.32638      23598.219      23598.219      474.94491      474.94491    
     75000  -8048.8739     -8048.8739     -8123.8105     -8123.8105      290.01221      290.01221      23607.075      23607.075     -319.93189     -319.93189    
Loop time of 8.32211 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.382 ns/day, 2.312 hours/ns, 120.162 timesteps/s
94.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.225      | 8.225      | 8.225      |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02082    | 0.02082    | 0.02082    |   0.0 |  0.25
Output  | 7.1334e-05 | 7.1334e-05 | 7.1334e-05 |   0.0 |  0.00
Modify  | 0.069206   | 0.069206   | 0.069206   |   0.0 |  0.83
Other   |            | 0.007003   |            |       |  0.08

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5440 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137062 ave      137062 max      137062 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137062
Ave neighs/atom = 68.531
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.676363642009, Press = -0.0346154512018466
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     75000  -8048.8739     -8048.8739     -8123.8105     -8123.8105      290.01221      290.01221      23607.075      23607.075     -319.93189     -319.93189    
     76000  -8050.4829     -8050.4829     -8123.7955     -8123.7955      283.7275       283.7275       23613.149      23613.149     -758.32599     -758.32599    
Loop time of 9.28552 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.305 ns/day, 2.579 hours/ns, 107.695 timesteps/s
85.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.1323     | 9.1323     | 9.1323     |   0.0 | 98.35
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.035906   | 0.035906   | 0.035906   |   0.0 |  0.39
Output  | 3.7941e-05 | 3.7941e-05 | 3.7941e-05 |   0.0 |  0.00
Modify  | 0.093504   | 0.093504   | 0.093504   |   0.0 |  1.01
Other   |            | 0.02377    |            |       |  0.26

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5445 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137156 ave      137156 max      137156 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137156
Ave neighs/atom = 68.578
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.680449684422, Press = -0.0812376690915876
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     76000  -8050.4829     -8050.4829     -8123.7955     -8123.7955      283.7275       283.7275       23613.149      23613.149     -758.32599     -758.32599    
     77000  -8049.5255     -8049.5255     -8126.6671     -8126.6671      298.54594      298.54594      23616.038      23616.038     -946.53505     -946.53505    
Loop time of 8.78088 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.840 ns/day, 2.439 hours/ns, 113.884 timesteps/s
90.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.6644     | 8.6644     | 8.6644     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.023334   | 0.023334   | 0.023334   |   0.0 |  0.27
Output  | 7.461e-05  | 7.461e-05  | 7.461e-05  |   0.0 |  0.00
Modify  | 0.081659   | 0.081659   | 0.081659   |   0.0 |  0.93
Other   |            | 0.01143    |            |       |  0.13

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5442 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137050 ave      137050 max      137050 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137050
Ave neighs/atom = 68.525
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.707305192463, Press = 0.25211271902598
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     77000  -8049.5255     -8049.5255     -8126.6671     -8126.6671      298.54594      298.54594      23616.038      23616.038     -946.53505     -946.53505    
     78000  -8046.1453     -8046.1453     -8125.0091     -8125.0091      305.21085      305.21085      23613.347      23613.347     -680.84825     -680.84825    
Loop time of 12.1416 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.116 ns/day, 3.373 hours/ns, 82.361 timesteps/s
65.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.02      | 12.02      | 12.02      |   0.0 | 99.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021677   | 0.021677   | 0.021677   |   0.0 |  0.18
Output  | 3.5336e-05 | 3.5336e-05 | 3.5336e-05 |   0.0 |  0.00
Modify  | 0.092015   | 0.092015   | 0.092015   |   0.0 |  0.76
Other   |            | 0.008075   |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5455 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136942 ave      136942 max      136942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136942
Ave neighs/atom = 68.471
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.73074536604, Press = 0.619972566478183
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     78000  -8046.1453     -8046.1453     -8125.0091     -8125.0091      305.21085      305.21085      23613.347      23613.347     -680.84825     -680.84825    
     79000  -8052.2455     -8052.2455     -8127.7908     -8127.7908      292.3683       292.3683       23582.609      23582.609      1842.3978      1842.3978    
Loop time of 12.4042 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.965 ns/day, 3.446 hours/ns, 80.618 timesteps/s
63.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.213     | 12.213     | 12.213     |   0.0 | 98.46
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.03147    | 0.03147    | 0.03147    |   0.0 |  0.25
Output  | 3.734e-05  | 3.734e-05  | 3.734e-05  |   0.0 |  0.00
Modify  | 0.13135    | 0.13135    | 0.13135    |   0.0 |  1.06
Other   |            | 0.02787    |            |       |  0.22

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5442 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137075 ave      137075 max      137075 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137075
Ave neighs/atom = 68.5375
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.764475723806, Press = 0.965137788537989
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     79000  -8052.2455     -8052.2455     -8127.7908     -8127.7908      292.3683       292.3683       23582.609      23582.609      1842.3978      1842.3978    
     80000  -8049.884      -8049.884      -8126.9428     -8126.9428      298.22552      298.22552      23560.292      23560.292      3971.4686      3971.4686    
Loop time of 10.8434 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.968 ns/day, 3.012 hours/ns, 92.222 timesteps/s
72.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.716     | 10.716     | 10.716     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.030707   | 0.030707   | 0.030707   |   0.0 |  0.28
Output  | 5.3932e-05 | 5.3932e-05 | 5.3932e-05 |   0.0 |  0.00
Modify  | 0.089561   | 0.089561   | 0.089561   |   0.0 |  0.83
Other   |            | 0.006983   |            |       |  0.06

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5460 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136982 ave      136982 max      136982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136982
Ave neighs/atom = 68.491
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.763321435756, Press = 0.532132010695025
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     80000  -8049.884      -8049.884      -8126.9428     -8126.9428      298.22552      298.22552      23560.292      23560.292      3971.4686      3971.4686    
     81000  -8051.0182     -8051.0182     -8126.2269     -8126.2269      291.06539      291.06539      23586.288      23586.288      1639.9815      1639.9815    
Loop time of 11.0998 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.784 ns/day, 3.083 hours/ns, 90.092 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    | 10.922     | 10.922     | 10.922     |   0.0 | 98.40
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.037545   | 0.037545   | 0.037545   |   0.0 |  0.34
Output  | 6.9771e-05 | 6.9771e-05 | 6.9771e-05 |   0.0 |  0.00
Modify  | 0.1275     | 0.1275     | 0.1275     |   0.0 |  1.15
Other   |            | 0.0128     |            |       |  0.12

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5428 ave        5428 max        5428 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137168 ave      137168 max      137168 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137168
Ave neighs/atom = 68.584
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.725624903483, Press = -0.156883621264839
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     81000  -8051.0182     -8051.0182     -8126.2269     -8126.2269      291.06539      291.06539      23586.288      23586.288      1639.9815      1639.9815    
     82000  -8051.2737     -8051.2737     -8126.1734     -8126.1734      289.86973      289.86973      23600.405      23600.405      328.27444      328.27444    
Loop time of 9.53214 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.064 ns/day, 2.648 hours/ns, 104.908 timesteps/s
83.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.4135     | 9.4135     | 9.4135     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031481   | 0.031481   | 0.031481   |   0.0 |  0.33
Output  | 3.5637e-05 | 3.5637e-05 | 3.5637e-05 |   0.0 |  0.00
Modify  | 0.079526   | 0.079526   | 0.079526   |   0.0 |  0.83
Other   |            | 0.007572   |            |       |  0.08

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5456 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137073 ave      137073 max      137073 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137073
Ave neighs/atom = 68.5365
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.722066990718, Press = -0.27348517682352
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     82000  -8051.2737     -8051.2737     -8126.1734     -8126.1734      289.86973      289.86973      23600.405      23600.405      328.27444      328.27444    
     83000  -8052.6705     -8052.6705     -8124.9439     -8124.9439      279.70528      279.70528      23612.836      23612.836     -844.96929     -844.96929    
Loop time of 8.86014 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.752 ns/day, 2.461 hours/ns, 112.865 timesteps/s
89.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.7434     | 8.7434     | 8.7434     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021158   | 0.021158   | 0.021158   |   0.0 |  0.24
Output  | 4.0385e-05 | 4.0385e-05 | 4.0385e-05 |   0.0 |  0.00
Modify  | 0.088859   | 0.088859   | 0.088859   |   0.0 |  1.00
Other   |            | 0.006644   |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5442 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137002 ave      137002 max      137002 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137002
Ave neighs/atom = 68.501
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.686185007617, Press = -0.332099835869733
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     83000  -8052.6705     -8052.6705     -8124.9439     -8124.9439      279.70528      279.70528      23612.836      23612.836     -844.96929     -844.96929    
     84000  -8049.5221     -8049.5221     -8126.3627     -8126.3627      297.38106      297.38106      23624.084      23624.084     -1794.5427     -1794.5427    
Loop time of 9.90101 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.726 ns/day, 2.750 hours/ns, 101.000 timesteps/s
81.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.7808     | 9.7808     | 9.7808     |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021222   | 0.021222   | 0.021222   |   0.0 |  0.21
Output  | 5.0926e-05 | 5.0926e-05 | 5.0926e-05 |   0.0 |  0.00
Modify  | 0.091818   | 0.091818   | 0.091818   |   0.0 |  0.93
Other   |            | 0.007077   |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5449 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137005 ave      137005 max      137005 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137005
Ave neighs/atom = 68.5025
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.67718673559, Press = -0.0829932876374886
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     84000  -8049.5221     -8049.5221     -8126.3627     -8126.3627      297.38106      297.38106      23624.084      23624.084     -1794.5427     -1794.5427    
     85000  -8047.3396     -8047.3396     -8123.4874     -8123.4874      294.70018      294.70018      23633.579      23633.579     -2424.1187     -2424.1187    
Loop time of 10.4007 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.307 ns/day, 2.889 hours/ns, 96.148 timesteps/s
76.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.289     | 10.289     | 10.289     |   0.0 | 98.92
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032507   | 0.032507   | 0.032507   |   0.0 |  0.31
Output  | 3.8803e-05 | 3.8803e-05 | 3.8803e-05 |   0.0 |  0.00
Modify  | 0.069867   | 0.069867   | 0.069867   |   0.0 |  0.67
Other   |            | 0.009726   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5441 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136936 ave      136936 max      136936 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136936
Ave neighs/atom = 68.468
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.668924613157, Press = 0.390275207373423
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     85000  -8047.3396     -8047.3396     -8123.4874     -8123.4874      294.70018      294.70018      23633.579      23633.579     -2424.1187     -2424.1187    
     86000  -8051.1161     -8051.1161     -8125.353      -8125.353       287.30447      287.30447      23613.858      23613.858     -891.94332     -891.94332    
Loop time of 8.93614 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.669 ns/day, 2.482 hours/ns, 111.905 timesteps/s
88.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.8264     | 8.8264     | 8.8264     |   0.0 | 98.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020427   | 0.020427   | 0.020427   |   0.0 |  0.23
Output  | 4.278e-05  | 4.278e-05  | 4.278e-05  |   0.0 |  0.00
Modify  | 0.082168   | 0.082168   | 0.082168   |   0.0 |  0.92
Other   |            | 0.007072   |            |       |  0.08

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5435 ave        5435 max        5435 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137034 ave      137034 max      137034 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137034
Ave neighs/atom = 68.517
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.693687854804, Press = 0.978760337944386
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     86000  -8051.1161     -8051.1161     -8125.353      -8125.353       287.30447      287.30447      23613.858      23613.858     -891.94332     -891.94332    
     87000  -8049.4546     -8049.4546     -8125.9037     -8125.9037      295.86608      295.86608      23583.935      23583.935      1771.4979      1771.4979    
Loop time of 10.3055 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.384 ns/day, 2.863 hours/ns, 97.036 timesteps/s
76.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.208     | 10.208     | 10.208     |   0.0 | 99.05
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020659   | 0.020659   | 0.020659   |   0.0 |  0.20
Output  | 6.2518e-05 | 6.2518e-05 | 6.2518e-05 |   0.0 |  0.00
Modify  | 0.069907   | 0.069907   | 0.069907   |   0.0 |  0.68
Other   |            | 0.007177   |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5454 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136979 ave      136979 max      136979 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136979
Ave neighs/atom = 68.4895
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.73474778417, Press = 0.832682988589289
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     87000  -8049.4546     -8049.4546     -8125.9037     -8125.9037      295.86608      295.86608      23583.935      23583.935      1771.4979      1771.4979    
     88000  -8049.3239     -8049.3239     -8125.3437     -8125.3437      294.20441      294.20441      23582.008      23582.008      1957.7925      1957.7925    
Loop time of 7.92856 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.897 ns/day, 2.202 hours/ns, 126.126 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    | 7.8308     | 7.8308     | 7.8308     |   0.0 | 98.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020957   | 0.020957   | 0.020957   |   0.0 |  0.26
Output  | 6.4031e-05 | 6.4031e-05 | 6.4031e-05 |   0.0 |  0.00
Modify  | 0.069531   | 0.069531   | 0.069531   |   0.0 |  0.88
Other   |            | 0.007192   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5457 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137040 ave      137040 max      137040 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137040
Ave neighs/atom = 68.52
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.743839798818, Press = 0.188156058271916
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     88000  -8049.3239     -8049.3239     -8125.3437     -8125.3437      294.20441      294.20441      23582.008      23582.008      1957.7925      1957.7925    
     89000  -8052.3905     -8052.3905     -8127.9625     -8127.9625      292.47169      292.47169      23579.333      23579.333      2096.0427      2096.0427    
Loop time of 9.20187 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.389 ns/day, 2.556 hours/ns, 108.674 timesteps/s
85.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.0886     | 9.0886     | 9.0886     |   0.0 | 98.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020698   | 0.020698   | 0.020698   |   0.0 |  0.22
Output  | 7.6173e-05 | 7.6173e-05 | 7.6173e-05 |   0.0 |  0.00
Modify  | 0.085314   | 0.085314   | 0.085314   |   0.0 |  0.93
Other   |            | 0.007159   |            |       |  0.08

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5441 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137211 ave      137211 max      137211 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137211
Ave neighs/atom = 68.6055
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.742453011524, Press = -0.166727945225495
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     89000  -8052.3905     -8052.3905     -8127.9625     -8127.9625      292.47169      292.47169      23579.333      23579.333      2096.0427      2096.0427    
     90000  -8047.6134     -8047.6134     -8126.1137     -8126.1137      303.80434      303.80434      23603.896      23603.896      52.306482      52.306482    
Loop time of 11.4328 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.557 ns/day, 3.176 hours/ns, 87.467 timesteps/s
68.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.251     | 11.251     | 11.251     |   0.0 | 98.41
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.030709   | 0.030709   | 0.030709   |   0.0 |  0.27
Output  | 5.3421e-05 | 5.3421e-05 | 5.3421e-05 |   0.0 |  0.00
Modify  | 0.13307    | 0.13307    | 0.13307    |   0.0 |  1.16
Other   |            | 0.01759    |            |       |  0.15

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5448 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137067 ave      137067 max      137067 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137067
Ave neighs/atom = 68.5335
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.740933447426, Press = -0.504120125209529
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     90000  -8047.6134     -8047.6134     -8126.1137     -8126.1137      303.80434      303.80434      23603.896      23603.896      52.306482      52.306482    
     91000  -8052.3761     -8052.3761     -8127.6397     -8127.6397      291.27798      291.27798      23610.048      23610.048     -633.83366     -633.83366    
Loop time of 14.5338 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.945 ns/day, 4.037 hours/ns, 68.805 timesteps/s
53.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.389     | 14.389     | 14.389     |   0.0 | 99.00
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031887   | 0.031887   | 0.031887   |   0.0 |  0.22
Output  | 0.0001227  | 0.0001227  | 0.0001227  |   0.0 |  0.00
Modify  | 0.094014   | 0.094014   | 0.094014   |   0.0 |  0.65
Other   |            | 0.01873    |            |       |  0.13

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5453 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137046 ave      137046 max      137046 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137046
Ave neighs/atom = 68.523
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.757398280225, Press = -0.263552102091045
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     91000  -8052.3761     -8052.3761     -8127.6397     -8127.6397      291.27798      291.27798      23610.048      23610.048     -633.83366     -633.83366    
     92000  -8048.0003     -8048.0003     -8123.4762     -8123.4762      292.0994       292.0994       23618.694      23618.694     -1326.6259     -1326.6259    
Loop time of 14.5987 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.918 ns/day, 4.055 hours/ns, 68.499 timesteps/s
53.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.421     | 14.421     | 14.421     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.064545   | 0.064545   | 0.064545   |   0.0 |  0.44
Output  | 5.0304e-05 | 5.0304e-05 | 5.0304e-05 |   0.0 |  0.00
Modify  | 0.10257    | 0.10257    | 0.10257    |   0.0 |  0.70
Other   |            | 0.01075    |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5447 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136986 ave      136986 max      136986 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136986
Ave neighs/atom = 68.493
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.768093649772, Press = -0.214858327976827
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     92000  -8048.0003     -8048.0003     -8123.4762     -8123.4762      292.0994       292.0994       23618.694      23618.694     -1326.6259     -1326.6259    
     93000  -8052.2638     -8052.2638     -8126.2068     -8126.2068      286.16736      286.16736      23628.225      23628.225     -2280.2131     -2280.2131    
Loop time of 10.9217 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.911 ns/day, 3.034 hours/ns, 91.561 timesteps/s
71.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.783     | 10.783     | 10.783     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031317   | 0.031317   | 0.031317   |   0.0 |  0.29
Output  | 3.8673e-05 | 3.8673e-05 | 3.8673e-05 |   0.0 |  0.00
Modify  | 0.089918   | 0.089918   | 0.089918   |   0.0 |  0.82
Other   |            | 0.0171     |            |       |  0.16

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5427 ave        5427 max        5427 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137038 ave      137038 max      137038 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137038
Ave neighs/atom = 68.519
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.762861662797, Press = 0.0541408857817323
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     93000  -8052.2638     -8052.2638     -8126.2068     -8126.2068      286.16736      286.16736      23628.225      23628.225     -2280.2131     -2280.2131    
     94000  -8049.1495     -8049.1495     -8125.6366     -8125.6366      296.01275      296.01275      23620.503      23620.503     -1288.9689     -1288.9689    
Loop time of 10.6217 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.134 ns/day, 2.950 hours/ns, 94.147 timesteps/s
74.1% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.48      | 10.48      | 10.48      |   0.0 | 98.66
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033621   | 0.033621   | 0.033621   |   0.0 |  0.32
Output  | 3.8512e-05 | 3.8512e-05 | 3.8512e-05 |   0.0 |  0.00
Modify  | 0.10145    | 0.10145    | 0.10145    |   0.0 |  0.96
Other   |            | 0.007002   |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5441 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136961 ave      136961 max      136961 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136961
Ave neighs/atom = 68.4805
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.764608692459, Press = 1.0433190006147
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     94000  -8049.1495     -8049.1495     -8125.6366     -8125.6366      296.01275      296.01275      23620.503      23620.503     -1288.9689     -1288.9689    
     95000  -8051.4928     -8051.4928     -8125.0487     -8125.0487      284.66894      284.66894      23589.176      23589.176      1112.7761      1112.7761    
Loop time of 13.1087 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.591 ns/day, 3.641 hours/ns, 76.285 timesteps/s
59.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.955     | 12.955     | 12.955     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021019   | 0.021019   | 0.021019   |   0.0 |  0.16
Output  | 8.3918e-05 | 8.3918e-05 | 8.3918e-05 |   0.0 |  0.00
Modify  | 0.11233    | 0.11233    | 0.11233    |   0.0 |  0.86
Other   |            | 0.02054    |            |       |  0.16

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5452 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136963 ave      136963 max      136963 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136963
Ave neighs/atom = 68.4815
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.732772607298, Press = 0.933182749908284
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     95000  -8051.4928     -8051.4928     -8125.0487     -8125.0487      284.66894      284.66894      23589.176      23589.176      1112.7761      1112.7761    
     96000  -8050.7646     -8050.7646     -8127.4759     -8127.4759      296.88046      296.88046      23579.578      23579.578      2066.4479      2066.4479    
Loop time of 14.8062 on 1 procs for 1000 steps with 2000 atoms

Performance: 5.835 ns/day, 4.113 hours/ns, 67.539 timesteps/s
53.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 14.656     | 14.656     | 14.656     |   0.0 | 98.99
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031218   | 0.031218   | 0.031218   |   0.0 |  0.21
Output  | 3.9264e-05 | 3.9264e-05 | 3.9264e-05 |   0.0 |  0.00
Modify  | 0.10133    | 0.10133    | 0.10133    |   0.0 |  0.68
Other   |            | 0.01724    |            |       |  0.12

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5446 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137123 ave      137123 max      137123 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137123
Ave neighs/atom = 68.5615
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.73791125307, Press = 0.29265411947648
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     96000  -8050.7646     -8050.7646     -8127.4759     -8127.4759      296.88046      296.88046      23579.578      23579.578      2066.4479      2066.4479    
     97000  -8049.7595     -8049.7595     -8127.3666     -8127.3666      300.34778      300.34778      23579.146      23579.146      2146.5975      2146.5975    
Loop time of 11.4858 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.522 ns/day, 3.191 hours/ns, 87.064 timesteps/s
68.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.362     | 11.362     | 11.362     |   0.0 | 98.92
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033087   | 0.033087   | 0.033087   |   0.0 |  0.29
Output  | 0.0001026  | 0.0001026  | 0.0001026  |   0.0 |  0.00
Modify  | 0.081349   | 0.081349   | 0.081349   |   0.0 |  0.71
Other   |            | 0.009687   |            |       |  0.08

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5448 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137185 ave      137185 max      137185 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137185
Ave neighs/atom = 68.5925
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.740252075317, Press = -0.050545239394179
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     97000  -8049.7595     -8049.7595     -8127.3666     -8127.3666      300.34778      300.34778      23579.146      23579.146      2146.5975      2146.5975    
     98000  -8053.0538     -8053.0538     -8128.148      -8128.148       290.6222       290.6222       23593.247      23593.247      672.41387      672.41387    
Loop time of 9.52763 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.068 ns/day, 2.647 hours/ns, 104.958 timesteps/s
82.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.4209     | 9.4209     | 9.4209     |   0.0 | 98.88
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02084    | 0.02084    | 0.02084    |   0.0 |  0.22
Output  | 3.7851e-05 | 3.7851e-05 | 3.7851e-05 |   0.0 |  0.00
Modify  | 0.079066   | 0.079066   | 0.079066   |   0.0 |  0.83
Other   |            | 0.006797   |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5439 ave        5439 max        5439 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137080 ave      137080 max      137080 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137080
Ave neighs/atom = 68.54
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.743171574466, Press = -0.506243604828673
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     98000  -8053.0538     -8053.0538     -8128.148      -8128.148       290.6222       290.6222       23593.247      23593.247      672.41387      672.41387    
     99000  -8049.4215     -8049.4215     -8126.9973     -8126.9973      300.22628      300.22628      23614.966      23614.966     -1094.2207     -1094.2207    
Loop time of 8.58381 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.065 ns/day, 2.384 hours/ns, 116.498 timesteps/s
92.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.4679     | 8.4679     | 8.4679     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026624   | 0.026624   | 0.026624   |   0.0 |  0.31
Output  | 6.0022e-05 | 6.0022e-05 | 6.0022e-05 |   0.0 |  0.00
Modify  | 0.073523   | 0.073523   | 0.073523   |   0.0 |  0.86
Other   |            | 0.01573    |            |       |  0.18

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5443 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137035 ave      137035 max      137035 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137035
Ave neighs/atom = 68.5175
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.732234691125, Press = -0.485364089518767
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
     99000  -8049.4215     -8049.4215     -8126.9973     -8126.9973      300.22628      300.22628      23614.966      23614.966     -1094.2207     -1094.2207    
    100000  -8052.7301     -8052.7301     -8126.9189     -8126.9189      287.11835      287.11835      23639.241      23639.241     -3397.8661     -3397.8661    
Loop time of 8.47901 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.190 ns/day, 2.355 hours/ns, 117.938 timesteps/s
92.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3788     | 8.3788     | 8.3788     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021741   | 0.021741   | 0.021741   |   0.0 |  0.26
Output  | 5.2408e-05 | 5.2408e-05 | 5.2408e-05 |   0.0 |  0.00
Modify  | 0.068773   | 0.068773   | 0.068773   |   0.0 |  0.81
Other   |            | 0.009599   |            |       |  0.11

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5418 ave        5418 max        5418 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136993 ave      136993 max      136993 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136993
Ave neighs/atom = 68.4965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.714223028715, Press = -0.428904181463163
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    100000  -8052.7301     -8052.7301     -8126.9189     -8126.9189      287.11835      287.11835      23639.241      23639.241     -3397.8661     -3397.8661    
    101000  -8046.4394     -8046.4394     -8123.8759     -8123.8759      299.68708      299.68708      23662.677      23662.677     -5126.2761     -5126.2761    
Loop time of 10.7182 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.061 ns/day, 2.977 hours/ns, 93.299 timesteps/s
73.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.597     | 10.597     | 10.597     |   0.0 | 98.86
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031998   | 0.031998   | 0.031998   |   0.0 |  0.30
Output  | 9.2775e-05 | 9.2775e-05 | 9.2775e-05 |   0.0 |  0.00
Modify  | 0.080427   | 0.080427   | 0.080427   |   0.0 |  0.75
Other   |            | 0.009135   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5428 ave        5428 max        5428 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136885 ave      136885 max      136885 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136885
Ave neighs/atom = 68.4425
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.730159484144, Press = 0.476754785144337
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    101000  -8046.4394     -8046.4394     -8123.8759     -8123.8759      299.68708      299.68708      23662.677      23662.677     -5126.2761     -5126.2761    
    102000  -8050.3974     -8050.3974     -8127.6855     -8127.6855      299.11282      299.11282      23610.122      23610.122     -627.34309     -627.34309    
Loop time of 9.46644 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.127 ns/day, 2.630 hours/ns, 105.636 timesteps/s
83.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.3382     | 9.3382     | 9.3382     |   0.0 | 98.65
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.022654   | 0.022654   | 0.022654   |   0.0 |  0.24
Output  | 3.9975e-05 | 3.9975e-05 | 3.9975e-05 |   0.0 |  0.00
Modify  | 0.094863   | 0.094863   | 0.094863   |   0.0 |  1.00
Other   |            | 0.0107     |            |       |  0.11

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5456 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136928 ave      136928 max      136928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136928
Ave neighs/atom = 68.464
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.758362612899, Press = 0.53090745247095
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    102000  -8050.3974     -8050.3974     -8127.6855     -8127.6855      299.11282      299.11282      23610.122      23610.122     -627.34309     -627.34309    
    103000  -8049.4577     -8049.4577     -8124.6801     -8124.6801      291.11852      291.11852      23595.612      23595.612      810.47229      810.47229    
Loop time of 9.39379 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.198 ns/day, 2.609 hours/ns, 106.453 timesteps/s
84.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.2629     | 9.2629     | 9.2629     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020902   | 0.020902   | 0.020902   |   0.0 |  0.22
Output  | 7.0903e-05 | 7.0903e-05 | 7.0903e-05 |   0.0 |  0.00
Modify  | 0.091871   | 0.091871   | 0.091871   |   0.0 |  0.98
Other   |            | 0.01801    |            |       |  0.19

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5445 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136982 ave      136982 max      136982 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136982
Ave neighs/atom = 68.491
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.760960082139, Press = 0.410927090960216
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    103000  -8049.4577     -8049.4577     -8124.6801     -8124.6801      291.11852      291.11852      23595.612      23595.612      810.47229      810.47229    
    104000  -8053.1065     -8053.1065     -8127.8527     -8127.8527      289.27529      289.27529      23583.508      23583.508      1684.0274      1684.0274    
Loop time of 9.2287 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.362 ns/day, 2.564 hours/ns, 108.358 timesteps/s
85.6% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.1078     | 9.1078     | 9.1078     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031938   | 0.031938   | 0.031938   |   0.0 |  0.35
Output  | 8.9027e-05 | 8.9027e-05 | 8.9027e-05 |   0.0 |  0.00
Modify  | 0.080783   | 0.080783   | 0.080783   |   0.0 |  0.88
Other   |            | 0.008047   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5443 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137076 ave      137076 max      137076 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137076
Ave neighs/atom = 68.538
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.764461308802, Press = 0.341871986273878
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    104000  -8053.1065     -8053.1065     -8127.8527     -8127.8527      289.27529      289.27529      23583.508      23583.508      1684.0274      1684.0274    
    105000  -8048.9926     -8048.9926     -8125.7704     -8125.7704      297.13769      297.13769      23568.395      23568.395      3242.3039      3242.3039    
Loop time of 10.8389 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.971 ns/day, 3.011 hours/ns, 92.260 timesteps/s
73.2% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.676     | 10.676     | 10.676     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021494   | 0.021494   | 0.021494   |   0.0 |  0.20
Output  | 3.6258e-05 | 3.6258e-05 | 3.6258e-05 |   0.0 |  0.00
Modify  | 0.11196    | 0.11196    | 0.11196    |   0.0 |  1.03
Other   |            | 0.02939    |            |       |  0.27

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5447 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137014 ave      137014 max      137014 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137014
Ave neighs/atom = 68.507
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.746219172498, Press = -0.00753869550282889
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    105000  -8048.9926     -8048.9926     -8125.7704     -8125.7704      297.13769      297.13769      23568.395      23568.395      3242.3039      3242.3039    
    106000  -8053.631      -8053.631      -8126.8177     -8126.8177      283.24006      283.24006      23580.345      23580.345      1858.8285      1858.8285    
Loop time of 8.76498 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.857 ns/day, 2.435 hours/ns, 114.090 timesteps/s
90.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.6441     | 8.6441     | 8.6441     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021369   | 0.021369   | 0.021369   |   0.0 |  0.24
Output  | 6.1194e-05 | 6.1194e-05 | 6.1194e-05 |   0.0 |  0.00
Modify  | 0.080998   | 0.080998   | 0.080998   |   0.0 |  0.92
Other   |            | 0.01842    |            |       |  0.21

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5445 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137153 ave      137153 max      137153 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137153
Ave neighs/atom = 68.5765
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.733078747643, Press = -0.781882255271474
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    106000  -8053.631      -8053.631      -8126.8177     -8126.8177      283.24006      283.24006      23580.345      23580.345      1858.8285      1858.8285    
    107000  -8049.0931     -8049.0931     -8124.179      -8124.179       290.59011      290.59011      23613.534      23613.534     -848.86611     -848.86611    
Loop time of 10.7229 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.058 ns/day, 2.979 hours/ns, 93.259 timesteps/s
74.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.535     | 10.535     | 10.535     |   0.0 | 98.24
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046798   | 0.046798   | 0.046798   |   0.0 |  0.44
Output  | 7.3217e-05 | 7.3217e-05 | 7.3217e-05 |   0.0 |  0.00
Modify  | 0.10494    | 0.10494    | 0.10494    |   0.0 |  0.98
Other   |            | 0.03639    |            |       |  0.34

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5459 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137069 ave      137069 max      137069 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137069
Ave neighs/atom = 68.5345
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.712096139517, Press = -0.375460650476112
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    107000  -8049.0931     -8049.0931     -8124.179      -8124.179       290.59011      290.59011      23613.534      23613.534     -848.86611     -848.86611    
    108000  -8051.1666     -8051.1666     -8127.7646     -8127.7646      296.442        296.442        23612.008      23612.008     -749.19578     -749.19578    
Loop time of 9.4928 on 1 procs for 1000 steps with 2000 atoms

Performance: 9.102 ns/day, 2.637 hours/ns, 105.343 timesteps/s
84.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 9.3902     | 9.3902     | 9.3902     |   0.0 | 98.92
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02238    | 0.02238    | 0.02238    |   0.0 |  0.24
Output  | 7.984e-05  | 7.984e-05  | 7.984e-05  |   0.0 |  0.00
Modify  | 0.070297   | 0.070297   | 0.070297   |   0.0 |  0.74
Other   |            | 0.009858   |            |       |  0.10

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5442 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137007 ave      137007 max      137007 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137007
Ave neighs/atom = 68.5035
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.708929719765, Press = -0.106626657865311
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    108000  -8051.1666     -8051.1666     -8127.7646     -8127.7646      296.442        296.442        23612.008      23612.008     -749.19578     -749.19578    
    109000  -8052.126      -8052.126      -8128.4978     -8128.4978      295.56691      295.56691      23617.297      23617.297     -1285.0547     -1285.0547    
Loop time of 8.06834 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.709 ns/day, 2.241 hours/ns, 123.941 timesteps/s
98.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.972      | 7.972      | 7.972      |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020766   | 0.020766   | 0.020766   |   0.0 |  0.26
Output  | 3.3293e-05 | 3.3293e-05 | 3.3293e-05 |   0.0 |  0.00
Modify  | 0.068479   | 0.068479   | 0.068479   |   0.0 |  0.85
Other   |            | 0.007057   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5438 ave        5438 max        5438 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136954 ave      136954 max      136954 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136954
Ave neighs/atom = 68.477
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.72029100272, Press = 0.140020366737081
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    109000  -8052.126      -8052.126      -8128.4978     -8128.4978      295.56691      295.56691      23617.297      23617.297     -1285.0547     -1285.0547    
    110000  -8048.7018     -8048.7018     -8124.8385     -8124.8385      294.657        294.657        23618.616      23618.616     -1324.0796     -1324.0796    
Loop time of 8.00681 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.791 ns/day, 2.224 hours/ns, 124.894 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    | 7.911      | 7.911      | 7.911      |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020748   | 0.020748   | 0.020748   |   0.0 |  0.26
Output  | 4.0336e-05 | 4.0336e-05 | 4.0336e-05 |   0.0 |  0.00
Modify  | 0.068217   | 0.068217   | 0.068217   |   0.0 |  0.85
Other   |            | 0.006774   |            |       |  0.08

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5439 ave        5439 max        5439 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136928 ave      136928 max      136928 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136928
Ave neighs/atom = 68.464
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.722457229952, Press = 0.427212711273307
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    110000  -8048.7018     -8048.7018     -8124.8385     -8124.8385      294.657        294.657        23618.616      23618.616     -1324.0796     -1324.0796    
    111000  -8049.47       -8049.47       -8125.4618     -8125.4618      294.09592      294.09592      23595.516      23595.516      810.20034      810.20034    
Loop time of 7.97223 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.838 ns/day, 2.215 hours/ns, 125.435 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    | 7.876      | 7.876      | 7.876      |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02071    | 0.02071    | 0.02071    |   0.0 |  0.26
Output  | 3.0227e-05 | 3.0227e-05 | 3.0227e-05 |   0.0 |  0.00
Modify  | 0.068356   | 0.068356   | 0.068356   |   0.0 |  0.86
Other   |            | 0.007127   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5443 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137009 ave      137009 max      137009 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137009
Ave neighs/atom = 68.5045
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.734261716193, Press = 0.907453999440756
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    111000  -8049.47       -8049.47       -8125.4618     -8125.4618      294.09592      294.09592      23595.516      23595.516      810.20034      810.20034    
    112000  -8050.218      -8050.218      -8125.1989     -8125.1989      290.18384      290.18384      23568.771      23568.771      3144.9518      3144.9518    
Loop time of 8.49363 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.172 ns/day, 2.359 hours/ns, 117.735 timesteps/s
92.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 8.3825     | 8.3825     | 8.3825     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021824   | 0.021824   | 0.021824   |   0.0 |  0.26
Output  | 9.0219e-05 | 9.0219e-05 | 9.0219e-05 |   0.0 |  0.00
Modify  | 0.080038   | 0.080038   | 0.080038   |   0.0 |  0.94
Other   |            | 0.009176   |            |       |  0.11

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5446 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137053 ave      137053 max      137053 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137053
Ave neighs/atom = 68.5265
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.732406704111, Press = 0.601049281730946
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    112000  -8050.218      -8050.218      -8125.1989     -8125.1989      290.18384      290.18384      23568.771      23568.771      3144.9518      3144.9518    
    113000  -8050.9127     -8050.9127     -8126.5386     -8126.5386      292.67979      292.67979      23568.74       23568.74       3186.3485      3186.3485    
Loop time of 12.4974 on 1 procs for 1000 steps with 2000 atoms

Performance: 6.913 ns/day, 3.472 hours/ns, 80.017 timesteps/s
64.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 12.356     | 12.356     | 12.356     |   0.0 | 98.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.032103   | 0.032103   | 0.032103   |   0.0 |  0.26
Output  | 3.5757e-05 | 3.5757e-05 | 3.5757e-05 |   0.0 |  0.00
Modify  | 0.10066    | 0.10066    | 0.10066    |   0.0 |  0.81
Other   |            | 0.008357   |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5450 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137180 ave      137180 max      137180 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137180
Ave neighs/atom = 68.59
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.736204741769, Press = -0.021768464653445
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    113000  -8050.9127     -8050.9127     -8126.5386     -8126.5386      292.67979      292.67979      23568.74       23568.74       3186.3485      3186.3485    
    114000  -8047.4408     -8047.4408     -8124.5593     -8124.5593      298.45644      298.45644      23593.784      23593.784      1078.0035      1078.0035    
Loop time of 11.3111 on 1 procs for 1000 steps with 2000 atoms

Performance: 7.639 ns/day, 3.142 hours/ns, 88.409 timesteps/s
70.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 11.183     | 11.183     | 11.183     |   0.0 | 98.86
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020852   | 0.020852   | 0.020852   |   0.0 |  0.18
Output  | 3.5547e-05 | 3.5547e-05 | 3.5547e-05 |   0.0 |  0.00
Modify  | 0.1002     | 0.1002     | 0.1002     |   0.0 |  0.89
Other   |            | 0.007368   |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5447 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137091 ave      137091 max      137091 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137091
Ave neighs/atom = 68.5455
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.748665532519, Press = -0.344391642707114
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    114000  -8047.4408     -8047.4408     -8124.5593     -8124.5593      298.45644      298.45644      23593.784      23593.784      1078.0035      1078.0035    
    115000  -8051.3594     -8051.3594     -8126.0083     -8126.0083      288.89902      288.89902      23615.582      23615.582     -1004.081      -1004.081     
Loop time of 10.3117 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.379 ns/day, 2.864 hours/ns, 96.977 timesteps/s
76.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.18      | 10.18      | 10.18      |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.033784   | 0.033784   | 0.033784   |   0.0 |  0.33
Output  | 3.6608e-05 | 3.6608e-05 | 3.6608e-05 |   0.0 |  0.00
Modify  | 0.090414   | 0.090414   | 0.090414   |   0.0 |  0.88
Other   |            | 0.007153   |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5447 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137075 ave      137075 max      137075 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137075
Ave neighs/atom = 68.5375
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.769063537017, Press = -0.393525240107044
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    115000  -8051.3594     -8051.3594     -8126.0083     -8126.0083      288.89902      288.89902      23615.582      23615.582     -1004.081      -1004.081     
    116000  -8049.3889     -8049.3889     -8125.8305     -8125.8305      295.83686      295.83686      23631.016      23631.016     -2315.4337     -2315.4337    
Loop time of 10.4024 on 1 procs for 1000 steps with 2000 atoms

Performance: 8.306 ns/day, 2.890 hours/ns, 96.132 timesteps/s
74.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 10.293     | 10.293     | 10.293     |   0.0 | 98.95
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.031876   | 0.031876   | 0.031876   |   0.0 |  0.31
Output  | 7.8297e-05 | 7.8297e-05 | 7.8297e-05 |   0.0 |  0.00
Modify  | 0.069327   | 0.069327   | 0.069327   |   0.0 |  0.67
Other   |            | 0.007741   |            |       |  0.07

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5446 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136953 ave      136953 max      136953 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136953
Ave neighs/atom = 68.4765
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.78313443696, Press = -0.136034195604154
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    116000  -8049.3889     -8049.3889     -8125.8305     -8125.8305      295.83686      295.83686      23631.016      23631.016     -2315.4337     -2315.4337    
    117000  -8052.7089     -8052.7089     -8127.7486     -8127.7486      290.41134      290.41134      23638.219      23638.219     -3095.1031     -3095.1031    
Loop time of 8.10632 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.658 ns/day, 2.252 hours/ns, 123.361 timesteps/s
99.3% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.9892     | 7.9892     | 7.9892     |   0.0 | 98.56
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026897   | 0.026897   | 0.026897   |   0.0 |  0.33
Output  | 6.2267e-05 | 6.2267e-05 | 6.2267e-05 |   0.0 |  0.00
Modify  | 0.074035   | 0.074035   | 0.074035   |   0.0 |  0.91
Other   |            | 0.01611    |            |       |  0.20

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5429 ave        5429 max        5429 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136892 ave      136892 max      136892 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136892
Ave neighs/atom = 68.446
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.797237481493, Press = 0.2850720170959
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    117000  -8052.7089     -8052.7089     -8127.7486     -8127.7486      290.41134      290.41134      23638.219      23638.219     -3095.1031     -3095.1031    
    118000  -8049.6726     -8049.6726     -8125.9889     -8125.9889      295.35184      295.35184      23620.721      23620.721     -1442.0907     -1442.0907    
Loop time of 8.04744 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.736 ns/day, 2.235 hours/ns, 124.263 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    | 7.9463     | 7.9463     | 7.9463     |   0.0 | 98.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021787   | 0.021787   | 0.021787   |   0.0 |  0.27
Output  | 0.00029102 | 0.00029102 | 0.00029102 |   0.0 |  0.00
Modify  | 0.069483   | 0.069483   | 0.069483   |   0.0 |  0.86
Other   |            | 0.009593   |            |       |  0.12

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5444 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136859 ave      136859 max      136859 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136859
Ave neighs/atom = 68.4295
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.785167818241, Press = 0.987002897023045
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    118000  -8049.6726     -8049.6726     -8125.9889     -8125.9889      295.35184      295.35184      23620.721      23620.721     -1442.0907     -1442.0907    
    119000  -8052.6305     -8052.6305     -8128.9004     -8128.9004      295.17245      295.17245      23589.243      23589.243      1329.6322      1329.6322    
Loop time of 7.98976 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.814 ns/day, 2.219 hours/ns, 125.160 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    | 7.8797     | 7.8797     | 7.8797     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024462   | 0.024462   | 0.024462   |   0.0 |  0.31
Output  | 4.79e-05   | 4.79e-05   | 4.79e-05   |   0.0 |  0.00
Modify  | 0.072169   | 0.072169   | 0.072169   |   0.0 |  0.90
Other   |            | 0.01341    |            |       |  0.17

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5434 ave        5434 max        5434 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136884 ave      136884 max      136884 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136884
Ave neighs/atom = 68.442
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.778596277648, Press = 0.637051864975276
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    119000  -8052.6305     -8052.6305     -8128.9004     -8128.9004      295.17245      295.17245      23589.243      23589.243      1329.6322      1329.6322    
    120000  -8050.506      -8050.506      -8124.2801     -8124.2801      285.51339      285.51339      23588.048      23588.048      1527.601       1527.601     
Loop time of 7.89787 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.940 ns/day, 2.194 hours/ns, 126.616 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    | 7.7823     | 7.7823     | 7.7823     |   0.0 | 98.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026284   | 0.026284   | 0.026284   |   0.0 |  0.33
Output  | 4.5496e-05 | 4.5496e-05 | 4.5496e-05 |   0.0 |  0.00
Modify  | 0.073602   | 0.073602   | 0.073602   |   0.0 |  0.93
Other   |            | 0.01562    |            |       |  0.20

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5451 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136942 ave      136942 max      136942 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136942
Ave neighs/atom = 68.471
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.783643599516, Press = 0.264355340299987
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    120000  -8050.506      -8050.506      -8124.2801     -8124.2801      285.51339      285.51339      23588.048      23588.048      1527.601       1527.601     
    121000  -8049.0883     -8049.0883     -8128.353      -8128.353       306.76235      306.76235      23585.086      23585.086      1734.5986      1734.5986    
Loop time of 7.81171 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.060 ns/day, 2.170 hours/ns, 128.013 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.695      | 7.695      | 7.695      |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026307   | 0.026307   | 0.026307   |   0.0 |  0.34
Output  | 5.8349e-05 | 5.8349e-05 | 5.8349e-05 |   0.0 |  0.00
Modify  | 0.074207   | 0.074207   | 0.074207   |   0.0 |  0.95
Other   |            | 0.01614    |            |       |  0.21

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5444 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137151 ave      137151 max      137151 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137151
Ave neighs/atom = 68.5755
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.782433737483, Press = -0.0473687814389094
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    121000  -8049.0883     -8049.0883     -8128.353      -8128.353       306.76235      306.76235      23585.086      23585.086      1734.5986      1734.5986    
    122000  -8055.532      -8055.532      -8127.3459     -8127.3459      277.92724      277.92724      23597.634      23597.634      239.65818      239.65818    
Loop time of 7.74335 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.158 ns/day, 2.151 hours/ns, 129.143 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.6298     | 7.6298     | 7.6298     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025436   | 0.025436   | 0.025436   |   0.0 |  0.33
Output  | 8.0301e-05 | 8.0301e-05 | 8.0301e-05 |   0.0 |  0.00
Modify  | 0.073327   | 0.073327   | 0.073327   |   0.0 |  0.95
Other   |            | 0.01468    |            |       |  0.19

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5445 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137054 ave      137054 max      137054 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137054
Ave neighs/atom = 68.527
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.769356166876, Press = -0.322370588770597
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    122000  -8055.532      -8055.532      -8127.3459     -8127.3459      277.92724      277.92724      23597.634      23597.634      239.65818      239.65818    
    123000  -8049.151      -8049.151      -8125.8201     -8125.8201      296.71734      296.71734      23638.703      23638.703     -3021.8769     -3021.8769    
Loop time of 7.72923 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.178 ns/day, 2.147 hours/ns, 129.379 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.6137     | 7.6137     | 7.6137     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026133   | 0.026133   | 0.026133   |   0.0 |  0.34
Output  | 6.6134e-05 | 6.6134e-05 | 6.6134e-05 |   0.0 |  0.00
Modify  | 0.073617   | 0.073617   | 0.073617   |   0.0 |  0.95
Other   |            | 0.01571    |            |       |  0.20

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5452 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136997 ave      136997 max      136997 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136997
Ave neighs/atom = 68.4985
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.760190590415, Press = -0.96999110616119
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    123000  -8049.151      -8049.151      -8125.8201     -8125.8201      296.71734      296.71734      23638.703      23638.703     -3021.8769     -3021.8769    
    124000  -8052.8056     -8052.8056     -8128.6584     -8128.6584      293.55835      293.55835      23650.843      23650.843     -4258.9373     -4258.9373    
Loop time of 7.78441 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.099 ns/day, 2.162 hours/ns, 128.462 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.6686     | 7.6686     | 7.6686     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026265   | 0.026265   | 0.026265   |   0.0 |  0.34
Output  | 6.5122e-05 | 6.5122e-05 | 6.5122e-05 |   0.0 |  0.00
Modify  | 0.073949   | 0.073949   | 0.073949   |   0.0 |  0.95
Other   |            | 0.01555    |            |       |  0.20

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5452 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136935 ave      136935 max      136935 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136935
Ave neighs/atom = 68.4675
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.746318562004, Press = -0.10687179971271
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    124000  -8052.8056     -8052.8056     -8128.6584     -8128.6584      293.55835      293.55835      23650.843      23650.843     -4258.9373     -4258.9373    
    125000  -8049.5831     -8049.5831     -8125.72       -8125.72        294.65796      294.65796      23627.974      23627.974     -2146.5548     -2146.5548    
Loop time of 7.68505 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.243 ns/day, 2.135 hours/ns, 130.123 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.5735     | 7.5735     | 7.5735     |   0.0 | 98.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024847   | 0.024847   | 0.024847   |   0.0 |  0.32
Output  | 3.9985e-05 | 3.9985e-05 | 3.9985e-05 |   0.0 |  0.00
Modify  | 0.072734   | 0.072734   | 0.072734   |   0.0 |  0.95
Other   |            | 0.01394    |            |       |  0.18

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5445 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136801 ave      136801 max      136801 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136801
Ave neighs/atom = 68.4005
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.746921940542, Press = 0.386929298819818
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    125000  -8049.5831     -8049.5831     -8125.72       -8125.72        294.65796      294.65796      23627.974      23627.974     -2146.5548     -2146.5548    
    126000  -8046.2804     -8046.2804     -8123.6939     -8123.6939      299.59824      299.59824      23609.888      23609.888     -497.61465     -497.61465    
Loop time of 8.02493 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.766 ns/day, 2.229 hours/ns, 124.612 timesteps/s
98.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.9121     | 7.9121     | 7.9121     |   0.0 | 98.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025755   | 0.025755   | 0.025755   |   0.0 |  0.32
Output  | 6.1014e-05 | 6.1014e-05 | 6.1014e-05 |   0.0 |  0.00
Modify  | 0.073134   | 0.073134   | 0.073134   |   0.0 |  0.91
Other   |            | 0.01392    |            |       |  0.17

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5439 ave        5439 max        5439 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136956 ave      136956 max      136956 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136956
Ave neighs/atom = 68.478
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.757619750268, Press = 0.512574514466129
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    126000  -8046.2804     -8046.2804     -8123.6939     -8123.6939      299.59824      299.59824      23609.888      23609.888     -497.61465     -497.61465    
    127000  -8050.9997     -8050.9997     -8126.4901     -8126.4901      292.15534      292.15534      23593.519      23593.519      822.76792      822.76792    
Loop time of 7.90639 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.928 ns/day, 2.196 hours/ns, 126.480 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    | 7.7905     | 7.7905     | 7.7905     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026346   | 0.026346   | 0.026346   |   0.0 |  0.33
Output  | 7.1655e-05 | 7.1655e-05 | 7.1655e-05 |   0.0 |  0.00
Modify  | 0.073773   | 0.073773   | 0.073773   |   0.0 |  0.93
Other   |            | 0.01566    |            |       |  0.20

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5451 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137089 ave      137089 max      137089 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137089
Ave neighs/atom = 68.5445
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.77779162533, Press = 0.475902577439782
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    127000  -8050.9997     -8050.9997     -8126.4901     -8126.4901      292.15534      292.15534      23593.519      23593.519      822.76792      822.76792    
    128000  -8047.3316     -8047.3316     -8127.0851     -8127.0851      308.65451      308.65451      23569.316      23569.316      3285.707       3285.707     
Loop time of 7.81839 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.051 ns/day, 2.172 hours/ns, 127.904 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    | 7.7015     | 7.7015     | 7.7015     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026779   | 0.026779   | 0.026779   |   0.0 |  0.34
Output  | 6.7116e-05 | 6.7116e-05 | 6.7116e-05 |   0.0 |  0.00
Modify  | 0.073918   | 0.073918   | 0.073918   |   0.0 |  0.95
Other   |            | 0.01616    |            |       |  0.21

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5442 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137054 ave      137054 max      137054 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137054
Ave neighs/atom = 68.527
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.802634008719, Press = 0.370664266709888
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    128000  -8047.3316     -8047.3316     -8127.0851     -8127.0851      308.65451      308.65451      23569.316      23569.316      3285.707       3285.707     
    129000  -8051.9425     -8051.9425     -8128.762      -8128.762       297.29927      297.29927      23552.134      23552.134      4691.8195      4691.8195    
Loop time of 7.72091 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.190 ns/day, 2.145 hours/ns, 129.518 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    | 7.6098     | 7.6098     | 7.6098     |   0.0 | 98.56
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024709   | 0.024709   | 0.024709   |   0.0 |  0.32
Output  | 6.2948e-05 | 6.2948e-05 | 6.2948e-05 |   0.0 |  0.00
Modify  | 0.072537   | 0.072537   | 0.072537   |   0.0 |  0.94
Other   |            | 0.0138     |            |       |  0.18

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5457 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137071 ave      137071 max      137071 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137071
Ave neighs/atom = 68.5355
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.808526292522, Press = -0.244256952457912
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    129000  -8051.9425     -8051.9425     -8128.762      -8128.762       297.29927      297.29927      23552.134      23552.134      4691.8195      4691.8195    
    130000  -8048.5449     -8048.5449     -8125.5923     -8125.5923      298.18132      298.18132      23599.642      23599.642      388.88933      388.88933    
Loop time of 7.72332 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.187 ns/day, 2.145 hours/ns, 129.478 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    | 7.6078     | 7.6078     | 7.6078     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026018   | 0.026018   | 0.026018   |   0.0 |  0.34
Output  | 5.9912e-05 | 5.9912e-05 | 5.9912e-05 |   0.0 |  0.00
Modify  | 0.07388    | 0.07388    | 0.07388    |   0.0 |  0.96
Other   |            | 0.01554    |            |       |  0.20

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5448 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137052 ave      137052 max      137052 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137052
Ave neighs/atom = 68.526
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.800759523298, Press = -0.322326870249373
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    130000  -8048.5449     -8048.5449     -8125.5923     -8125.5923      298.18132      298.18132      23599.642      23599.642      388.88933      388.88933    
    131000  -8054.8719     -8054.8719     -8127.5155     -8127.5155      281.13849      281.13849      23614.739      23614.739     -1192.2378     -1192.2378    
Loop time of 7.79544 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.083 ns/day, 2.165 hours/ns, 128.280 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    | 7.6918     | 7.6918     | 7.6918     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.022729   | 0.022729   | 0.022729   |   0.0 |  0.29
Output  | 2.9315e-05 | 2.9315e-05 | 2.9315e-05 |   0.0 |  0.00
Modify  | 0.070433   | 0.070433   | 0.070433   |   0.0 |  0.90
Other   |            | 0.0104     |            |       |  0.13

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5454 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137084 ave      137084 max      137084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137084
Ave neighs/atom = 68.542
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.787326672601, Press = -0.167253430753177
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    131000  -8054.8719     -8054.8719     -8127.5155     -8127.5155      281.13849      281.13849      23614.739      23614.739     -1192.2378     -1192.2378    
    132000  -8049.5454     -8049.5454     -8126.1637     -8126.1637      296.52076      296.52076      23629.523      23629.523     -2162.8139     -2162.8139    
Loop time of 7.93438 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.889 ns/day, 2.204 hours/ns, 126.034 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    | 7.8362     | 7.8362     | 7.8362     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020974   | 0.020974   | 0.020974   |   0.0 |  0.26
Output  | 3.6388e-05 | 3.6388e-05 | 3.6388e-05 |   0.0 |  0.00
Modify  | 0.069091   | 0.069091   | 0.069091   |   0.0 |  0.87
Other   |            | 0.008113   |            |       |  0.10

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5434 ave        5434 max        5434 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136985 ave      136985 max      136985 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136985
Ave neighs/atom = 68.4925
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.782077907396, Press = 0.0774692964794897
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    132000  -8049.5454     -8049.5454     -8126.1637     -8126.1637      296.52076      296.52076      23629.523      23629.523     -2162.8139     -2162.8139    
    133000  -8053.2411     -8053.2411     -8126.5252     -8126.5252      283.61707      283.61707      23627.697      23627.697     -2232.4692     -2232.4692    
Loop time of 7.85631 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.998 ns/day, 2.182 hours/ns, 127.286 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    | 7.7456     | 7.7456     | 7.7456     |   0.0 | 98.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024697   | 0.024697   | 0.024697   |   0.0 |  0.31
Output  | 9.1933e-05 | 9.1933e-05 | 9.1933e-05 |   0.0 |  0.00
Modify  | 0.072325   | 0.072325   | 0.072325   |   0.0 |  0.92
Other   |            | 0.01361    |            |       |  0.17

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5455 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136930 ave      136930 max      136930 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136930
Ave neighs/atom = 68.465
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.761642223711, Press = 0.411742519426403
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    133000  -8053.2411     -8053.2411     -8126.5252     -8126.5252      283.61707      283.61707      23627.697      23627.697     -2232.4692     -2232.4692    
    134000  -8051.8126     -8051.8126     -8125.8469     -8125.8469      286.52032      286.52032      23616.364      23616.364     -1132.9448     -1132.9448    
Loop time of 7.70942 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.207 ns/day, 2.142 hours/ns, 129.711 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    | 7.5956     | 7.5956     | 7.5956     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025542   | 0.025542   | 0.025542   |   0.0 |  0.33
Output  | 9.0179e-05 | 9.0179e-05 | 9.0179e-05 |   0.0 |  0.00
Modify  | 0.073022   | 0.073022   | 0.073022   |   0.0 |  0.95
Other   |            | 0.01515    |            |       |  0.20

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5422 ave        5422 max        5422 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136912 ave      136912 max      136912 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136912
Ave neighs/atom = 68.456
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.769012274632, Press = 1.05377673768424
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    134000  -8051.8126     -8051.8126     -8125.8469     -8125.8469      286.52032      286.52032      23616.364      23616.364     -1132.9448     -1132.9448    
    135000  -8046.7373     -8046.7373     -8124.6813     -8124.6813      301.65122      301.65122      23576.596      23576.596      2720.2376      2720.2376    
Loop time of 7.72089 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.190 ns/day, 2.145 hours/ns, 129.519 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    | 7.609      | 7.609      | 7.609      |   0.0 | 98.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024833   | 0.024833   | 0.024833   |   0.0 |  0.32
Output  | 8.7343e-05 | 8.7343e-05 | 8.7343e-05 |   0.0 |  0.00
Modify  | 0.07285    | 0.07285    | 0.07285    |   0.0 |  0.94
Other   |            | 0.01408    |            |       |  0.18

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5440 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136946 ave      136946 max      136946 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136946
Ave neighs/atom = 68.473
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.790896210854, Press = 0.963379850070496
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    135000  -8046.7373     -8046.7373     -8124.6813     -8124.6813      301.65122      301.65122      23576.596      23576.596      2720.2376      2720.2376    
    136000  -8051.5836     -8051.5836     -8126.2247     -8126.2247      288.86841      288.86841      23583.616      23583.616      1819.0746      1819.0746    
Loop time of 7.76628 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.125 ns/day, 2.157 hours/ns, 128.762 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.6516     | 7.6516     | 7.6516     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025844   | 0.025844   | 0.025844   |   0.0 |  0.33
Output  | 6.6194e-05 | 6.6194e-05 | 6.6194e-05 |   0.0 |  0.00
Modify  | 0.073407   | 0.073407   | 0.073407   |   0.0 |  0.95
Other   |            | 0.01532    |            |       |  0.20

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5446 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137086 ave      137086 max      137086 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137086
Ave neighs/atom = 68.543
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.807413350202, Press = 0.342698618996641
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    136000  -8051.5836     -8051.5836     -8126.2247     -8126.2247      288.86841      288.86841      23583.616      23583.616      1819.0746      1819.0746    
    137000  -8046.9076     -8046.9076     -8123.9423     -8123.9423      298.13221      298.13221      23590.808      23590.808      1279.2382      1279.2382    
Loop time of 7.72117 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.190 ns/day, 2.145 hours/ns, 129.514 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.6095     | 7.6095     | 7.6095     |   0.0 | 98.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024977   | 0.024977   | 0.024977   |   0.0 |  0.32
Output  | 0.00010407 | 0.00010407 | 0.00010407 |   0.0 |  0.00
Modify  | 0.072641   | 0.072641   | 0.072641   |   0.0 |  0.94
Other   |            | 0.01393    |            |       |  0.18

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5455 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137008 ave      137008 max      137008 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137008
Ave neighs/atom = 68.504
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.827903530951, Press = 0.0884415640356229
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    137000  -8046.9076     -8046.9076     -8123.9423     -8123.9423      298.13221      298.13221      23590.808      23590.808      1279.2382      1279.2382    
    138000  -8049.4683     -8049.4683     -8125.0095     -8125.0095      292.35205      292.35205      23600.234      23600.234      489.17268      489.17268    
Loop time of 7.70543 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.213 ns/day, 2.140 hours/ns, 129.779 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.5918     | 7.5918     | 7.5918     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025459   | 0.025459   | 0.025459   |   0.0 |  0.33
Output  | 6.1705e-05 | 6.1705e-05 | 6.1705e-05 |   0.0 |  0.00
Modify  | 0.073271   | 0.073271   | 0.073271   |   0.0 |  0.95
Other   |            | 0.01486    |            |       |  0.19

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5438 ave        5438 max        5438 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137081 ave      137081 max      137081 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137081
Ave neighs/atom = 68.5405
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.826381635787, Press = -0.0899988677185765
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    138000  -8049.4683     -8049.4683     -8125.0095     -8125.0095      292.35205      292.35205      23600.234      23600.234      489.17268      489.17268    
    139000  -8052.0196     -8052.0196     -8126.1072     -8126.1072      286.72666      286.72666      23624.804      23624.804     -1851.0325     -1851.0325    
Loop time of 7.6416 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.307 ns/day, 2.123 hours/ns, 130.863 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    | 7.5352     | 7.5352     | 7.5352     |   0.0 | 98.61
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.023214   | 0.023214   | 0.023214   |   0.0 |  0.30
Output  | 6.6735e-05 | 6.6735e-05 | 6.6735e-05 |   0.0 |  0.00
Modify  | 0.071372   | 0.071372   | 0.071372   |   0.0 |  0.93
Other   |            | 0.01171    |            |       |  0.15

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5450 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137015 ave      137015 max      137015 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137015
Ave neighs/atom = 68.5075
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.817422477771, Press = -0.371548376051807
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    139000  -8052.0196     -8052.0196     -8126.1072     -8126.1072      286.72666      286.72666      23624.804      23624.804     -1851.0325     -1851.0325    
    140000  -8049.5331     -8049.5331     -8126.9471     -8126.9471      299.6002       299.6002       23656.635      23656.635     -4766.5461     -4766.5461    
Loop time of 7.68836 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.238 ns/day, 2.136 hours/ns, 130.067 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.5746     | 7.5746     | 7.5746     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025391   | 0.025391   | 0.025391   |   0.0 |  0.33
Output  | 3.9023e-05 | 3.9023e-05 | 3.9023e-05 |   0.0 |  0.00
Modify  | 0.073328   | 0.073328   | 0.073328   |   0.0 |  0.95
Other   |            | 0.01499    |            |       |  0.19

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5443 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136880 ave      136880 max      136880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136880
Ave neighs/atom = 68.44
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.799004147818, Press = 0.0555212016582586
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    140000  -8049.5331     -8049.5331     -8126.9471     -8126.9471      299.6002       299.6002       23656.635      23656.635     -4766.5461     -4766.5461    
    141000  -8050.8778     -8050.8778     -8126.7373     -8126.7373      293.58388      293.58388      23629.078      23629.078     -2238.1176     -2238.1176    
Loop time of 7.56871 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.415 ns/day, 2.102 hours/ns, 132.123 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.4736     | 7.4736     | 7.4736     |   0.0 | 98.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.019966   | 0.019966   | 0.019966   |   0.0 |  0.26
Output  | 3.9785e-05 | 3.9785e-05 | 3.9785e-05 |   0.0 |  0.00
Modify  | 0.068461   | 0.068461   | 0.068461   |   0.0 |  0.90
Other   |            | 0.006694   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5427 ave        5427 max        5427 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136870 ave      136870 max      136870 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136870
Ave neighs/atom = 68.435
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.795095394274, Press = 0.570300796934981
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    141000  -8050.8778     -8050.8778     -8126.7373     -8126.7373      293.58388      293.58388      23629.078      23629.078     -2238.1176     -2238.1176    
    142000  -8048.5629     -8048.5629     -8124.4339     -8124.4339      293.62852      293.62852      23610.134      23610.134     -611.41952     -611.41952    
Loop time of 7.71111 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.205 ns/day, 2.142 hours/ns, 129.683 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.5982     | 7.5982     | 7.5982     |   0.0 | 98.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025291   | 0.025291   | 0.025291   |   0.0 |  0.33
Output  | 6.4601e-05 | 6.4601e-05 | 6.4601e-05 |   0.0 |  0.00
Modify  | 0.073039   | 0.073039   | 0.073039   |   0.0 |  0.95
Other   |            | 0.01448    |            |       |  0.19

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5450 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136959 ave      136959 max      136959 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136959
Ave neighs/atom = 68.4795
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.79545115644, Press = 0.682794432786286
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    142000  -8048.5629     -8048.5629     -8124.4339     -8124.4339      293.62852      293.62852      23610.134      23610.134     -611.41952     -611.41952    
    143000  -8053.2182     -8053.2182     -8128.2968     -8128.2968      290.56207      290.56207      23585.89       23585.89       1536.0036      1536.0036    
Loop time of 7.66289 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.275 ns/day, 2.129 hours/ns, 130.499 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.552      | 7.552      | 7.552      |   0.0 | 98.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024731   | 0.024731   | 0.024731   |   0.0 |  0.32
Output  | 6.6324e-05 | 6.6324e-05 | 6.6324e-05 |   0.0 |  0.00
Modify  | 0.072461   | 0.072461   | 0.072461   |   0.0 |  0.95
Other   |            | 0.01359    |            |       |  0.18

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5466 ave        5466 max        5466 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137064 ave      137064 max      137064 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137064
Ave neighs/atom = 68.532
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.778825673038, Press = 0.657141101678411
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    143000  -8053.2182     -8053.2182     -8128.2968     -8128.2968      290.56207      290.56207      23585.89       23585.89       1536.0036      1536.0036    
    144000  -8049.5997     -8049.5997     -8124.2255     -8124.2255      288.80942      288.80942      23581.032      23581.032      2115.5134      2115.5134    
Loop time of 7.81111 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.061 ns/day, 2.170 hours/ns, 128.023 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    | 7.7152     | 7.7152     | 7.7152     |   0.0 | 98.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020442   | 0.020442   | 0.020442   |   0.0 |  0.26
Output  | 3.167e-05  | 3.167e-05  | 3.167e-05  |   0.0 |  0.00
Modify  | 0.068674   | 0.068674   | 0.068674   |   0.0 |  0.88
Other   |            | 0.00676    |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5450 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137003 ave      137003 max      137003 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137003
Ave neighs/atom = 68.5015
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.778848118506, Press = 0.415217082956889
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    144000  -8049.5997     -8049.5997     -8124.2255     -8124.2255      288.80942      288.80942      23581.032      23581.032      2115.5134      2115.5134    
    145000  -8053.3989     -8053.3989     -8128.0536     -8128.0536      288.92141      288.92141      23587.636      23587.636      1333.2114      1333.2114    
Loop time of 7.75477 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.142 ns/day, 2.154 hours/ns, 128.953 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.6528     | 7.6528     | 7.6528     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.022058   | 0.022058   | 0.022058   |   0.0 |  0.28
Output  | 6.42e-05   | 6.42e-05   | 6.42e-05   |   0.0 |  0.00
Modify  | 0.070192   | 0.070192   | 0.070192   |   0.0 |  0.91
Other   |            | 0.009643   |            |       |  0.12

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5443 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137047 ave      137047 max      137047 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137047
Ave neighs/atom = 68.5235
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.761687149157, Press = 0.119047224083731
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    145000  -8053.3989     -8053.3989     -8128.0536     -8128.0536      288.92141      288.92141      23587.636      23587.636      1333.2114      1333.2114    
    146000  -8051.3935     -8051.3935     -8127.7916     -8127.7916      295.66857      295.66857      23601.634      23601.634      150.23169      150.23169    
Loop time of 7.68011 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.250 ns/day, 2.133 hours/ns, 130.206 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    | 7.5841     | 7.5841     | 7.5841     |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020271   | 0.020271   | 0.020271   |   0.0 |  0.26
Output  | 3.0327e-05 | 3.0327e-05 | 3.0327e-05 |   0.0 |  0.00
Modify  | 0.068712   | 0.068712   | 0.068712   |   0.0 |  0.89
Other   |            | 0.006957   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5448 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137030 ave      137030 max      137030 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137030
Ave neighs/atom = 68.515
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.763676533118, Press = 0.0731621411748783
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    146000  -8051.3935     -8051.3935     -8127.7916     -8127.7916      295.66857      295.66857      23601.634      23601.634      150.23169      150.23169    
    147000  -8048.6458     -8048.6458     -8125.4465     -8125.4465      297.22666      297.22666      23611.208      23611.208     -685.86477     -685.86477    
Loop time of 7.68812 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.238 ns/day, 2.136 hours/ns, 130.071 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    | 7.5926     | 7.5926     | 7.5926     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020131   | 0.020131   | 0.020131   |   0.0 |  0.26
Output  | 3.0949e-05 | 3.0949e-05 | 3.0949e-05 |   0.0 |  0.00
Modify  | 0.068507   | 0.068507   | 0.068507   |   0.0 |  0.89
Other   |            | 0.006891   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5453 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136988 ave      136988 max      136988 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136988
Ave neighs/atom = 68.494
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.761624612942, Press = 0.120999104756154
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    147000  -8048.6458     -8048.6458     -8125.4465     -8125.4465      297.22666      297.22666      23611.208      23611.208     -685.86477     -685.86477    
    148000  -8051.6261     -8051.6261     -8128.4738     -8128.4738      297.40847      297.40847      23617.22       23617.22      -1329.5253     -1329.5253    
Loop time of 7.74917 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.150 ns/day, 2.153 hours/ns, 129.046 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    | 7.6534     | 7.6534     | 7.6534     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020209   | 0.020209   | 0.020209   |   0.0 |  0.26
Output  | 3.1058e-05 | 3.1058e-05 | 3.1058e-05 |   0.0 |  0.00
Modify  | 0.068648   | 0.068648   | 0.068648   |   0.0 |  0.89
Other   |            | 0.006867   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5430 ave        5430 max        5430 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137071 ave      137071 max      137071 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137071
Ave neighs/atom = 68.5355
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.775769926315, Press = 0.111320470723682
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    148000  -8051.6261     -8051.6261     -8128.4738     -8128.4738      297.40847      297.40847      23617.22       23617.22      -1329.5253     -1329.5253    
    149000  -8047.0771     -8047.0771     -8125.2735     -8125.2735      302.62797      302.62797      23633.63       23633.63      -2647.2928     -2647.2928    
Loop time of 7.6936 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.230 ns/day, 2.137 hours/ns, 129.978 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    | 7.598      | 7.598      | 7.598      |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020175   | 0.020175   | 0.020175   |   0.0 |  0.26
Output  | 4.789e-05  | 4.789e-05  | 4.789e-05  |   0.0 |  0.00
Modify  | 0.068689   | 0.068689   | 0.068689   |   0.0 |  0.89
Other   |            | 0.006677   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5439 ave        5439 max        5439 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136944 ave      136944 max      136944 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136944
Ave neighs/atom = 68.472
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.790574774935, Press = 0.413427806645237
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    149000  -8047.0771     -8047.0771     -8125.2735     -8125.2735      302.62797      302.62797      23633.63       23633.63      -2647.2928     -2647.2928    
    150000  -8050.8298     -8050.8298     -8125.8026     -8125.8026      290.15251      290.15251      23612.239      23612.239     -794.29043     -794.29043    
Loop time of 7.647 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.299 ns/day, 2.124 hours/ns, 130.770 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    | 7.5509     | 7.5509     | 7.5509     |   0.0 | 98.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020173   | 0.020173   | 0.020173   |   0.0 |  0.26
Output  | 2.9335e-05 | 2.9335e-05 | 2.9335e-05 |   0.0 |  0.00
Modify  | 0.069106   | 0.069106   | 0.069106   |   0.0 |  0.90
Other   |            | 0.006803   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5442 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136971 ave      136971 max      136971 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136971
Ave neighs/atom = 68.4855
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.811361841476, Press = 0.804210392706946
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    150000  -8050.8298     -8050.8298     -8125.8026     -8125.8026      290.15251      290.15251      23612.239      23612.239     -794.29043     -794.29043    
    151000  -8047.6238     -8047.6238     -8124.0618     -8124.0618      295.82298      295.82298      23587.007      23587.007      1567.1567      1567.1567    
Loop time of 7.72902 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.179 ns/day, 2.147 hours/ns, 129.382 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    | 7.6206     | 7.6206     | 7.6206     |   0.0 | 98.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024      | 0.024      | 0.024      |   0.0 |  0.31
Output  | 6.8699e-05 | 6.8699e-05 | 6.8699e-05 |   0.0 |  0.00
Modify  | 0.071906   | 0.071906   | 0.071906   |   0.0 |  0.93
Other   |            | 0.01248    |            |       |  0.16

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5435 ave        5435 max        5435 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137013 ave      137013 max      137013 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137013
Ave neighs/atom = 68.5065
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.816892223593, Press = 0.617853829793833
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    151000  -8047.6238     -8047.6238     -8124.0618     -8124.0618      295.82298      295.82298      23587.007      23587.007      1567.1567      1567.1567    
    152000  -8051.78       -8051.78       -8126.6734     -8126.6734      289.84503      289.84503      23585.767      23585.767      1582.7752      1582.7752    
Loop time of 7.84471 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.014 ns/day, 2.179 hours/ns, 127.474 timesteps/s
98.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.731      | 7.731      | 7.731      |   0.0 | 98.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025687   | 0.025687   | 0.025687   |   0.0 |  0.33
Output  | 7.1875e-05 | 7.1875e-05 | 7.1875e-05 |   0.0 |  0.00
Modify  | 0.073253   | 0.073253   | 0.073253   |   0.0 |  0.93
Other   |            | 0.01471    |            |       |  0.19

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5438 ave        5438 max        5438 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137148 ave      137148 max      137148 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137148
Ave neighs/atom = 68.574
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.822679739967, Press = 0.266963022950646
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    152000  -8051.78       -8051.78       -8126.6734     -8126.6734      289.84503      289.84503      23585.767      23585.767      1582.7752      1582.7752    
    153000  -8049.3354     -8049.3354     -8124.9686     -8124.9686      292.70855      292.70855      23597.259      23597.259      699.70054      699.70054    
Loop time of 7.78314 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.101 ns/day, 2.162 hours/ns, 128.483 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    | 7.6791     | 7.6791     | 7.6791     |   0.0 | 98.66
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.022511   | 0.022511   | 0.022511   |   0.0 |  0.29
Output  | 3.3934e-05 | 3.3934e-05 | 3.3934e-05 |   0.0 |  0.00
Modify  | 0.070735   | 0.070735   | 0.070735   |   0.0 |  0.91
Other   |            | 0.01074    |            |       |  0.14

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5433 ave        5433 max        5433 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137058 ave      137058 max      137058 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137058
Ave neighs/atom = 68.529
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.818388714606, Press = 0.137368673950261
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    153000  -8049.3354     -8049.3354     -8124.9686     -8124.9686      292.70855      292.70855      23597.259      23597.259      699.70054      699.70054    
    154000  -8053.0117     -8053.0117     -8127.0218     -8127.0218      286.42673      286.42673      23599.837      23599.837      284.00175      284.00175    
Loop time of 7.7277 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.181 ns/day, 2.147 hours/ns, 129.405 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    | 7.6135     | 7.6135     | 7.6135     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025552   | 0.025552   | 0.025552   |   0.0 |  0.33
Output  | 6.9641e-05 | 6.9641e-05 | 6.9641e-05 |   0.0 |  0.00
Modify  | 0.073353   | 0.073353   | 0.073353   |   0.0 |  0.95
Other   |            | 0.01527    |            |       |  0.20

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5441 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137056 ave      137056 max      137056 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137056
Ave neighs/atom = 68.528
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.803901424444, Press = 0.126026940659741
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    154000  -8053.0117     -8053.0117     -8127.0218     -8127.0218      286.42673      286.42673      23599.837      23599.837      284.00175      284.00175    
    155000  -8049.6724     -8049.6724     -8126.6652     -8126.6652      297.97001      297.97001      23606.47       23606.47      -145.6617      -145.6617     
Loop time of 7.67196 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.262 ns/day, 2.131 hours/ns, 130.345 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    | 7.5717     | 7.5717     | 7.5717     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02151    | 0.02151    | 0.02151    |   0.0 |  0.28
Output  | 6.356e-05  | 6.356e-05  | 6.356e-05  |   0.0 |  0.00
Modify  | 0.069773   | 0.069773   | 0.069773   |   0.0 |  0.91
Other   |            | 0.008879   |            |       |  0.12

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5455 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137003 ave      137003 max      137003 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137003
Ave neighs/atom = 68.5015
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.795959194082, Press = 0.129245361848801
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    155000  -8049.6724     -8049.6724     -8126.6652     -8126.6652      297.97001      297.97001      23606.47       23606.47      -145.6617      -145.6617     
    156000  -8047.1562     -8047.1562     -8124.8277     -8124.8277      300.59686      300.59686      23609.354      23609.354     -392.4979      -392.4979     
Loop time of 7.71752 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.195 ns/day, 2.144 hours/ns, 129.575 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    | 7.6113     | 7.6113     | 7.6113     |   0.0 | 98.62
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.023299   | 0.023299   | 0.023299   |   0.0 |  0.30
Output  | 6.4371e-05 | 6.4371e-05 | 6.4371e-05 |   0.0 |  0.00
Modify  | 0.071363   | 0.071363   | 0.071363   |   0.0 |  0.92
Other   |            | 0.01151    |            |       |  0.15

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5442 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136984 ave      136984 max      136984 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136984
Ave neighs/atom = 68.492
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.792820914667, Press = 0.141494429443871
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    156000  -8047.1562     -8047.1562     -8124.8277     -8124.8277      300.59686      300.59686      23609.354      23609.354     -392.4979      -392.4979     
    157000  -8051.7208     -8051.7208     -8126.9269     -8126.9269      291.05552      291.05552      23604.422      23604.422     -72.453097     -72.453097    
Loop time of 7.74621 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.154 ns/day, 2.152 hours/ns, 129.095 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    | 7.6374     | 7.6374     | 7.6374     |   0.0 | 98.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024158   | 0.024158   | 0.024158   |   0.0 |  0.31
Output  | 0.00011292 | 0.00011292 | 0.00011292 |   0.0 |  0.00
Modify  | 0.071787   | 0.071787   | 0.071787   |   0.0 |  0.93
Other   |            | 0.0128     |            |       |  0.17

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5453 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137012 ave      137012 max      137012 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137012
Ave neighs/atom = 68.506
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.809129574447, Press = 0.209259678077362
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    157000  -8051.7208     -8051.7208     -8126.9269     -8126.9269      291.05552      291.05552      23604.422      23604.422     -72.453097     -72.453097    
    158000  -8045.9514     -8045.9514     -8124.6604     -8124.6604      304.61206      304.61206      23605.963      23605.963     -38.805634     -38.805634    
Loop time of 7.74534 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.155 ns/day, 2.151 hours/ns, 129.110 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    | 7.6365     | 7.6365     | 7.6365     |   0.0 | 98.59
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024105   | 0.024105   | 0.024105   |   0.0 |  0.31
Output  | 3.4995e-05 | 3.4995e-05 | 3.4995e-05 |   0.0 |  0.00
Modify  | 0.071962   | 0.071962   | 0.071962   |   0.0 |  0.93
Other   |            | 0.01275    |            |       |  0.16

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5453 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136958 ave      136958 max      136958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136958
Ave neighs/atom = 68.479
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.826879231022, Press = 0.27874552349781
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    158000  -8045.9514     -8045.9514     -8124.6604     -8124.6604      304.61206      304.61206      23605.963      23605.963     -38.805634     -38.805634    
    159000  -8051.0133     -8051.0133     -8126.0816     -8126.0816      290.52195      290.52195      23588.256      23588.256      1403.9785      1403.9785    
Loop time of 7.88169 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.962 ns/day, 2.189 hours/ns, 126.876 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    | 7.7769     | 7.7769     | 7.7769     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.023009   | 0.023009   | 0.023009   |   0.0 |  0.29
Output  | 3.2872e-05 | 3.2872e-05 | 3.2872e-05 |   0.0 |  0.00
Modify  | 0.070747   | 0.070747   | 0.070747   |   0.0 |  0.90
Other   |            | 0.011      |            |       |  0.14

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5451 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137089 ave      137089 max      137089 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137089
Ave neighs/atom = 68.5445
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.83309885325, Press = 0.286871763035975
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    159000  -8051.0133     -8051.0133     -8126.0816     -8126.0816      290.52195      290.52195      23588.256      23588.256      1403.9785      1403.9785    
    160000  -8054.5683     -8054.5683     -8128.7753     -8128.7753      287.18855      287.18855      23575.166      23575.166      2475.7775      2475.7775    
Loop time of 7.84174 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.018 ns/day, 2.178 hours/ns, 127.523 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    | 7.7459     | 7.7459     | 7.7459     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020369   | 0.020369   | 0.020369   |   0.0 |  0.26
Output  | 3.0026e-05 | 3.0026e-05 | 3.0026e-05 |   0.0 |  0.00
Modify  | 0.068512   | 0.068512   | 0.068512   |   0.0 |  0.87
Other   |            | 0.006958   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5432 ave        5432 max        5432 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137055 ave      137055 max      137055 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137055
Ave neighs/atom = 68.5275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.831915294419, Press = 0.114418705564799
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    160000  -8054.5683     -8054.5683     -8128.7753     -8128.7753      287.18855      287.18855      23575.166      23575.166      2475.7775      2475.7775    
    161000  -8049.6526     -8049.6526     -8125.4603     -8125.4603      293.38338      293.38338      23579.355      23579.355      2293.0226      2293.0226    
Loop time of 7.72446 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.185 ns/day, 2.146 hours/ns, 129.459 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    | 7.6286     | 7.6286     | 7.6286     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020194   | 0.020194   | 0.020194   |   0.0 |  0.26
Output  | 3.0928e-05 | 3.0928e-05 | 3.0928e-05 |   0.0 |  0.00
Modify  | 0.068811   | 0.068811   | 0.068811   |   0.0 |  0.89
Other   |            | 0.006798   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5438 ave        5438 max        5438 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137083 ave      137083 max      137083 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137083
Ave neighs/atom = 68.5415
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.822456613874, Press = -0.203070181572102
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    161000  -8049.6526     -8049.6526     -8125.4603     -8125.4603      293.38338      293.38338      23579.355      23579.355      2293.0226      2293.0226    
    162000  -8053.5702     -8053.5702     -8127.5341     -8127.5341      286.24793      286.24793      23605.007      23605.007     -217.01728     -217.01728    
Loop time of 7.81914 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.050 ns/day, 2.172 hours/ns, 127.891 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    | 7.7232     | 7.7232     | 7.7232     |   0.0 | 98.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020391   | 0.020391   | 0.020391   |   0.0 |  0.26
Output  | 3.1369e-05 | 3.1369e-05 | 3.1369e-05 |   0.0 |  0.00
Modify  | 0.068813   | 0.068813   | 0.068813   |   0.0 |  0.88
Other   |            | 0.006745   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5454 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137112 ave      137112 max      137112 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137112
Ave neighs/atom = 68.556
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.807284491488, Press = -0.393263098744667
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    162000  -8053.5702     -8053.5702     -8127.5341     -8127.5341      286.24793      286.24793      23605.007      23605.007     -217.01728     -217.01728    
    163000  -8052.2818     -8052.2818     -8126.9571     -8126.9571      289.00099      289.00099      23615.874      23615.874     -1215.1688     -1215.1688    
Loop time of 7.7744 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.113 ns/day, 2.160 hours/ns, 128.627 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    | 7.6785     | 7.6785     | 7.6785     |   0.0 | 98.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020511   | 0.020511   | 0.020511   |   0.0 |  0.26
Output  | 3.0627e-05 | 3.0627e-05 | 3.0627e-05 |   0.0 |  0.00
Modify  | 0.068672   | 0.068672   | 0.068672   |   0.0 |  0.88
Other   |            | 0.006713   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5459 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136999 ave      136999 max      136999 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136999
Ave neighs/atom = 68.4995
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.80930119112, Press = -0.0107651143231685
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    163000  -8052.2818     -8052.2818     -8126.9571     -8126.9571      289.00099      289.00099      23615.874      23615.874     -1215.1688     -1215.1688    
    164000  -8046.988      -8046.988      -8124.0141     -8124.0141      298.09888      298.09888      23615.916      23615.916     -965.1465      -965.1465     
Loop time of 7.81642 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.054 ns/day, 2.171 hours/ns, 127.936 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    | 7.7207     | 7.7207     | 7.7207     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020495   | 0.020495   | 0.020495   |   0.0 |  0.26
Output  | 3.0948e-05 | 3.0948e-05 | 3.0948e-05 |   0.0 |  0.00
Modify  | 0.068419   | 0.068419   | 0.068419   |   0.0 |  0.88
Other   |            | 0.006727   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5452 ave        5452 max        5452 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136969 ave      136969 max      136969 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136969
Ave neighs/atom = 68.4845
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.822361822809, Press = 0.125370405215268
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    164000  -8046.988      -8046.988      -8124.0141     -8124.0141      298.09888      298.09888      23615.916      23615.916     -965.1465      -965.1465     
    165000  -8050.4387     -8050.4387     -8126.0409     -8126.0409      292.58839      292.58839      23611.812      23611.812     -662.34456     -662.34456    
Loop time of 7.73583 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.169 ns/day, 2.149 hours/ns, 129.269 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    | 7.6398     | 7.6398     | 7.6398     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020238   | 0.020238   | 0.020238   |   0.0 |  0.26
Output  | 2.9174e-05 | 2.9174e-05 | 2.9174e-05 |   0.0 |  0.00
Modify  | 0.069031   | 0.069031   | 0.069031   |   0.0 |  0.89
Other   |            | 0.006774   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5439 ave        5439 max        5439 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137041 ave      137041 max      137041 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137041
Ave neighs/atom = 68.5205
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.832738202836, Press = 0.17431229315775
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    165000  -8050.4387     -8050.4387     -8126.0409     -8126.0409      292.58839      292.58839      23611.812      23611.812     -662.34456     -662.34456    
    166000  -8051.3333     -8051.3333     -8127.0757     -8127.0757      293.1309       293.1309       23607.197      23607.197     -317.30454     -317.30454    
Loop time of 7.69371 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.230 ns/day, 2.137 hours/ns, 129.976 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    | 7.5977     | 7.5977     | 7.5977     |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020212   | 0.020212   | 0.020212   |   0.0 |  0.26
Output  | 3.1118e-05 | 3.1118e-05 | 3.1118e-05 |   0.0 |  0.00
Modify  | 0.069022   | 0.069022   | 0.069022   |   0.0 |  0.90
Other   |            | 0.006754   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5458 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136989 ave      136989 max      136989 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136989
Ave neighs/atom = 68.4945
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.851732606182, Press = 0.372621982908599
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    166000  -8051.3333     -8051.3333     -8127.0757     -8127.0757      293.1309       293.1309       23607.197      23607.197     -317.30454     -317.30454    
    167000  -8048.9136     -8048.9136     -8125.4084     -8125.4084      296.0429       296.0429       23580.358      23580.358      2191.2306      2191.2306    
Loop time of 7.6921 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.232 ns/day, 2.137 hours/ns, 130.004 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    | 7.5967     | 7.5967     | 7.5967     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020139   | 0.020139   | 0.020139   |   0.0 |  0.26
Output  | 3.4866e-05 | 3.4866e-05 | 3.4866e-05 |   0.0 |  0.00
Modify  | 0.068484   | 0.068484   | 0.068484   |   0.0 |  0.89
Other   |            | 0.006732   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5451 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137047 ave      137047 max      137047 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137047
Ave neighs/atom = 68.5235
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.855017243828, Press = 0.476142771658159
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    167000  -8048.9136     -8048.9136     -8125.4084     -8125.4084      296.0429       296.0429       23580.358      23580.358      2191.2306      2191.2306    
    168000  -8052.1558     -8052.1558     -8126.4947     -8126.4947      287.69924      287.69924      23567.038      23567.038      3219.1302      3219.1302    
Loop time of 7.74742 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.152 ns/day, 2.152 hours/ns, 129.075 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    | 7.6516     | 7.6516     | 7.6516     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020196   | 0.020196   | 0.020196   |   0.0 |  0.26
Output  | 0.0001302  | 0.0001302  | 0.0001302  |   0.0 |  0.00
Modify  | 0.068737   | 0.068737   | 0.068737   |   0.0 |  0.89
Other   |            | 0.006717   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5450 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137101 ave      137101 max      137101 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137101
Ave neighs/atom = 68.5505
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.855559051644, Press = 0.159769110010344
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    168000  -8052.1558     -8052.1558     -8126.4947     -8126.4947      287.69924      287.69924      23567.038      23567.038      3219.1302      3219.1302    
    169000  -8046.8098     -8046.8098     -8124.8874     -8124.8874      302.16845      302.16845      23584.297      23584.297      1924.5932      1924.5932    
Loop time of 7.65069 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.293 ns/day, 2.125 hours/ns, 130.707 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    | 7.555      | 7.555      | 7.555      |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020091   | 0.020091   | 0.020091   |   0.0 |  0.26
Output  | 3.3683e-05 | 3.3683e-05 | 3.3683e-05 |   0.0 |  0.00
Modify  | 0.068717   | 0.068717   | 0.068717   |   0.0 |  0.90
Other   |            | 0.006825   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5449 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137122 ave      137122 max      137122 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137122
Ave neighs/atom = 68.561
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.863651073803, Press = -0.106460266560737
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    169000  -8046.8098     -8046.8098     -8124.8874     -8124.8874      302.16845      302.16845      23584.297      23584.297      1924.5932      1924.5932    
    170000  -8051.8837     -8051.8837     -8127.5916     -8127.5916      292.99755      292.99755      23602.086      23602.086     -51.711463     -51.711463    
Loop time of 7.64659 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.299 ns/day, 2.124 hours/ns, 130.777 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    | 7.5507     | 7.5507     | 7.5507     |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02031    | 0.02031    | 0.02031    |   0.0 |  0.27
Output  | 3.3883e-05 | 3.3883e-05 | 3.3883e-05 |   0.0 |  0.00
Modify  | 0.068778   | 0.068778   | 0.068778   |   0.0 |  0.90
Other   |            | 0.00676    |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5451 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137117 ave      137117 max      137117 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137117
Ave neighs/atom = 68.5585
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.876365923088, Press = -0.156760387405286
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    170000  -8051.8837     -8051.8837     -8127.5916     -8127.5916      292.99755      292.99755      23602.086      23602.086     -51.711463     -51.711463    
    171000  -8047.7736     -8047.7736     -8125.7288     -8125.7288      301.69474      301.69474      23611.716      23611.716     -603.19995     -603.19995    
Loop time of 7.63849 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.311 ns/day, 2.122 hours/ns, 130.916 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    | 7.5301     | 7.5301     | 7.5301     |   0.0 | 98.58
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.023818   | 0.023818   | 0.023818   |   0.0 |  0.31
Output  | 7.2556e-05 | 7.2556e-05 | 7.2556e-05 |   0.0 |  0.00
Modify  | 0.071701   | 0.071701   | 0.071701   |   0.0 |  0.94
Other   |            | 0.01283    |            |       |  0.17

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5460 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137018 ave      137018 max      137018 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137018
Ave neighs/atom = 68.509
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.882404008833, Press = 0.0677490574328729
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    171000  -8047.7736     -8047.7736     -8125.7288     -8125.7288      301.69474      301.69474      23611.716      23611.716     -603.19995     -603.19995    
    172000  -8050.8536     -8050.8536     -8125.8918     -8125.8918      290.40554      290.40554      23608.914      23608.914     -519.49352     -519.49352    
Loop time of 8.03254 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.756 ns/day, 2.231 hours/ns, 124.494 timesteps/s
97.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.9325     | 7.9325     | 7.9325     |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.021479   | 0.021479   | 0.021479   |   0.0 |  0.27
Output  | 9.2283e-05 | 9.2283e-05 | 9.2283e-05 |   0.0 |  0.00
Modify  | 0.069316   | 0.069316   | 0.069316   |   0.0 |  0.86
Other   |            | 0.00918    |            |       |  0.11

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5455 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136958 ave      136958 max      136958 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136958
Ave neighs/atom = 68.479
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.885526451244, Press = 0.0979896150132478
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    172000  -8050.8536     -8050.8536     -8125.8918     -8125.8918      290.40554      290.40554      23608.914      23608.914     -519.49352     -519.49352    
    173000  -8050.5008     -8050.5008     -8125.9413     -8125.9413      291.96268      291.96268      23610.089      23610.089     -653.20111     -653.20111    
Loop time of 7.90858 on 1 procs for 1000 steps with 2000 atoms

Performance: 10.925 ns/day, 2.197 hours/ns, 126.445 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.7939     | 7.7939     | 7.7939     |   0.0 | 98.55
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026121   | 0.026121   | 0.026121   |   0.0 |  0.33
Output  | 6.5313e-05 | 6.5313e-05 | 6.5313e-05 |   0.0 |  0.00
Modify  | 0.073392   | 0.073392   | 0.073392   |   0.0 |  0.93
Other   |            | 0.01511    |            |       |  0.19

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5441 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137018 ave      137018 max      137018 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137018
Ave neighs/atom = 68.509
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.904200213424, Press = 0.105654427218691
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    173000  -8050.5008     -8050.5008     -8125.9413     -8125.9413      291.96268      291.96268      23610.089      23610.089     -653.20111     -653.20111    
    174000  -8047.6528     -8047.6528     -8125.3969     -8125.3969      300.87758      300.87758      23601.622      23601.622      304.53976      304.53976    
Loop time of 7.83419 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.029 ns/day, 2.176 hours/ns, 127.646 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.7192     | 7.7192     | 7.7192     |   0.0 | 98.53
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026058   | 0.026058   | 0.026058   |   0.0 |  0.33
Output  | 6.0273e-05 | 6.0273e-05 | 6.0273e-05 |   0.0 |  0.00
Modify  | 0.073494   | 0.073494   | 0.073494   |   0.0 |  0.94
Other   |            | 0.01541    |            |       |  0.20

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5438 ave        5438 max        5438 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137039 ave      137039 max      137039 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137039
Ave neighs/atom = 68.5195
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.9124734282, Press = 0.338299900549914
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    174000  -8047.6528     -8047.6528     -8125.3969     -8125.3969      300.87758      300.87758      23601.622      23601.622      304.53976      304.53976    
    175000  -8051.9814     -8051.9814     -8127.7709     -8127.7709      293.31327      293.31327      23581.819      23581.819      1951.1078      1951.1078    
Loop time of 7.71341 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.201 ns/day, 2.143 hours/ns, 129.644 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.6006     | 7.6006     | 7.6006     |   0.0 | 98.54
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025295   | 0.025295   | 0.025295   |   0.0 |  0.33
Output  | 7.7425e-05 | 7.7425e-05 | 7.7425e-05 |   0.0 |  0.00
Modify  | 0.073026   | 0.073026   | 0.073026   |   0.0 |  0.95
Other   |            | 0.01442    |            |       |  0.19

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5461 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137088 ave      137088 max      137088 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137088
Ave neighs/atom = 68.544
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.923576828733, Press = 0.23986378890055
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    175000  -8051.9814     -8051.9814     -8127.7709     -8127.7709      293.31327      293.31327      23581.819      23581.819      1951.1078      1951.1078    
    176000  -8050.5988     -8050.5988     -8126.6045     -8126.6045      294.15012      294.15012      23574.396      23574.396      2750.4463      2750.4463    
Loop time of 7.64835 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.297 ns/day, 2.125 hours/ns, 130.747 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.5342     | 7.5342     | 7.5342     |   0.0 | 98.51
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025587   | 0.025587   | 0.025587   |   0.0 |  0.33
Output  | 6.7907e-05 | 6.7907e-05 | 6.7907e-05 |   0.0 |  0.00
Modify  | 0.073231   | 0.073231   | 0.073231   |   0.0 |  0.96
Other   |            | 0.01525    |            |       |  0.20

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5433 ave        5433 max        5433 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137055 ave      137055 max      137055 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137055
Ave neighs/atom = 68.5275
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.925079904536, Press = 0.0604900248600556
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    176000  -8050.5988     -8050.5988     -8126.6045     -8126.6045      294.15012      294.15012      23574.396      23574.396      2750.4463      2750.4463    
    177000  -8049.12       -8049.12       -8127.1787     -8127.1787      302.09522      302.09522      23583.146      23583.146      1877.6611      1877.6611    
Loop time of 7.70242 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.217 ns/day, 2.140 hours/ns, 129.829 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.5868     | 7.5868     | 7.5868     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.025962   | 0.025962   | 0.025962   |   0.0 |  0.34
Output  | 6.1125e-05 | 6.1125e-05 | 6.1125e-05 |   0.0 |  0.00
Modify  | 0.073752   | 0.073752   | 0.073752   |   0.0 |  0.96
Other   |            | 0.01586    |            |       |  0.21

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5439 ave        5439 max        5439 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137056 ave      137056 max      137056 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137056
Ave neighs/atom = 68.528
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.921303932657, Press = -0.255140774826761
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    177000  -8049.12       -8049.12       -8127.1787     -8127.1787      302.09522      302.09522      23583.146      23583.146      1877.6611      1877.6611    
    178000  -8051.6201     -8051.6201     -8127.3139     -8127.3139      292.94288      292.94288      23609.12       23609.12      -533.00863     -533.00863    
Loop time of 7.80466 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.070 ns/day, 2.168 hours/ns, 128.129 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.6893     | 7.6893     | 7.6893     |   0.0 | 98.52
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026079   | 0.026079   | 0.026079   |   0.0 |  0.33
Output  | 6.0724e-05 | 6.0724e-05 | 6.0724e-05 |   0.0 |  0.00
Modify  | 0.073776   | 0.073776   | 0.073776   |   0.0 |  0.95
Other   |            | 0.01549    |            |       |  0.20

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5459 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137033 ave      137033 max      137033 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137033
Ave neighs/atom = 68.5165
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.928455773871, Press = -0.421787406126511
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    178000  -8051.6201     -8051.6201     -8127.3139     -8127.3139      292.94288      292.94288      23609.12       23609.12      -533.00863     -533.00863    
    179000  -8048.2802     -8048.2802     -8125.2531     -8125.2531      297.89293      297.89293      23630.93       23630.93      -2318.4933     -2318.4933    
Loop time of 7.73033 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.177 ns/day, 2.147 hours/ns, 129.361 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.6143     | 7.6143     | 7.6143     |   0.0 | 98.50
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.026414   | 0.026414   | 0.026414   |   0.0 |  0.34
Output  | 6.3919e-05 | 6.3919e-05 | 6.3919e-05 |   0.0 |  0.00
Modify  | 0.073679   | 0.073679   | 0.073679   |   0.0 |  0.95
Other   |            | 0.01585    |            |       |  0.21

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5458 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137015 ave      137015 max      137015 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137015
Ave neighs/atom = 68.5075
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.93576352843, Press = -0.157886665854221
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    179000  -8048.2802     -8048.2802     -8125.2531     -8125.2531      297.89293      297.89293      23630.93       23630.93      -2318.4933     -2318.4933    
    180000  -8050.4666     -8050.4666     -8125.6805     -8125.6805      291.08538      291.08538      23620.735      23620.735     -1463.453      -1463.453     
Loop time of 7.67849 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.252 ns/day, 2.133 hours/ns, 130.234 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.5676     | 7.5676     | 7.5676     |   0.0 | 98.56
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024593   | 0.024593   | 0.024593   |   0.0 |  0.32
Output  | 8.494e-05  | 8.494e-05  | 8.494e-05  |   0.0 |  0.00
Modify  | 0.072471   | 0.072471   | 0.072471   |   0.0 |  0.94
Other   |            | 0.01372    |            |       |  0.18

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5458 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136962 ave      136962 max      136962 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136962
Ave neighs/atom = 68.481
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.93843802132, Press = 0.0796753055331787
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    180000  -8050.4666     -8050.4666     -8125.6805     -8125.6805      291.08538      291.08538      23620.735      23620.735     -1463.453      -1463.453     
    181000  -8049.0035     -8049.0035     -8124.9766     -8124.9766      294.02383      294.02383      23611.878      23611.878     -634.72249     -634.72249    
Loop time of 7.67737 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.254 ns/day, 2.133 hours/ns, 130.253 timesteps/s
99.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.5666     | 7.5666     | 7.5666     |   0.0 | 98.56
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.024486   | 0.024486   | 0.024486   |   0.0 |  0.32
Output  | 6.5383e-05 | 6.5383e-05 | 6.5383e-05 |   0.0 |  0.00
Modify  | 0.072613   | 0.072613   | 0.072613   |   0.0 |  0.95
Other   |            | 0.01361    |            |       |  0.18

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5443 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136964 ave      136964 max      136964 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136964
Ave neighs/atom = 68.482
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.941379585224, Press = 0.17188246578428
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    181000  -8049.0035     -8049.0035     -8124.9766     -8124.9766      294.02383      294.02383      23611.878      23611.878     -634.72249     -634.72249    
    182000  -8052.8186     -8052.8186     -8128.0418     -8128.0418      291.12148      291.12148      23600.739      23600.739      122.80396      122.80396    
Loop time of 7.58481 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.391 ns/day, 2.107 hours/ns, 131.842 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    | 7.489      | 7.489      | 7.489      |   0.0 | 98.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020054   | 0.020054   | 0.020054   |   0.0 |  0.26
Output  | 2.9576e-05 | 2.9576e-05 | 2.9576e-05 |   0.0 |  0.00
Modify  | 0.068987   | 0.068987   | 0.068987   |   0.0 |  0.91
Other   |            | 0.006749   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5456 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137084 ave      137084 max      137084 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137084
Ave neighs/atom = 68.542
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.939748879627, Press = 0.260534534748822
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    182000  -8052.8186     -8052.8186     -8128.0418     -8128.0418      291.12148      291.12148      23600.739      23600.739      122.80396      122.80396    
    183000  -8050.059      -8050.059      -8125.8684     -8125.8684      293.39025      293.39025      23572.806      23572.806      2794.8682      2794.8682    
Loop time of 7.53785 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.462 ns/day, 2.094 hours/ns, 132.664 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    | 7.4422     | 7.4422     | 7.4422     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020043   | 0.020043   | 0.020043   |   0.0 |  0.27
Output  | 3.0177e-05 | 3.0177e-05 | 3.0177e-05 |   0.0 |  0.00
Modify  | 0.068754   | 0.068754   | 0.068754   |   0.0 |  0.91
Other   |            | 0.00681    |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5456 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         136993 ave      136993 max      136993 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 136993
Ave neighs/atom = 68.4965
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.94093937512, Press = 0.339368185931507
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    183000  -8050.059      -8050.059      -8125.8684     -8125.8684      293.39025      293.39025      23572.806      23572.806      2794.8682      2794.8682    
    184000  -8049.0863     -8049.0863     -8125.8582     -8125.8582      297.11505      297.11505      23556.16       23556.16       4505.6124      4505.6124    
Loop time of 7.56789 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.417 ns/day, 2.102 hours/ns, 132.137 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    | 7.4724     | 7.4724     | 7.4724     |   0.0 | 98.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020051   | 0.020051   | 0.020051   |   0.0 |  0.26
Output  | 3.0507e-05 | 3.0507e-05 | 3.0507e-05 |   0.0 |  0.00
Modify  | 0.068612   | 0.068612   | 0.068612   |   0.0 |  0.91
Other   |            | 0.006792   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5438 ave        5438 max        5438 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137088 ave      137088 max      137088 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137088
Ave neighs/atom = 68.544
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.943451145527, Press = 0.0264904197738641
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    184000  -8049.0863     -8049.0863     -8125.8582     -8125.8582      297.11505      297.11505      23556.16       23556.16       4505.6124      4505.6124    
    185000  -8047.9109     -8047.9109     -8125.5788     -8125.5788      300.58285      300.58285      23585.499      23585.499      1791.165       1791.165     
Loop time of 7.70344 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.216 ns/day, 2.140 hours/ns, 129.812 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    | 7.6081     | 7.6081     | 7.6081     |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.02007    | 0.02007    | 0.02007    |   0.0 |  0.26
Output  | 3.4184e-05 | 3.4184e-05 | 3.4184e-05 |   0.0 |  0.00
Modify  | 0.068229   | 0.068229   | 0.068229   |   0.0 |  0.89
Other   |            | 0.006961   |            |       |  0.09

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5451 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137145 ave      137145 max      137145 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137145
Ave neighs/atom = 68.5725
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.952595843431, Press = -0.205527566779489
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
   Step         TotEng     v_etotal_metal     PotEng       v_pe_metal        Temp        v_T_metal        Volume       v_V_metal        Press        v_P_metal   
    185000  -8047.9109     -8047.9109     -8125.5788     -8125.5788      300.58285      300.58285      23585.499      23585.499      1791.165       1791.165     
    186000  -8051.9839     -8051.9839     -8126.7219     -8126.7219      289.24352      289.24352      23606.957      23606.957     -346.7015      -346.7015     
Loop time of 7.75518 on 1 procs for 1000 steps with 2000 atoms

Performance: 11.141 ns/day, 2.154 hours/ns, 128.946 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    | 7.6585     | 7.6585     | 7.6585     |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.020499   | 0.020499   | 0.020499   |   0.0 |  0.26
Output  | 6.7326e-05 | 6.7326e-05 | 6.7326e-05 |   0.0 |  0.00
Modify  | 0.06869    | 0.06869    | 0.06869    |   0.0 |  0.89
Other   |            | 0.007416   |            |       |  0.10

Nlocal:           2000 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           5459 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:         137043 ave      137043 max      137043 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 137043
Ave neighs/atom = 68.5215
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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
23603.879957682

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0