# 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 2.8553245961666107*${_u_distance}
variable latticeconst_converted equal 2.8553245961666107*1
lattice       bcc  ${latticeconst_converted}
lattice       bcc  2.85532459616661
Lattice spacing in x,y,z = 2.8553246 2.8553246 2.8553246
region        simbox  block 0 10 0 10 0 10 units lattice
create_box    1 simbox
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.553246 28.553246 28.553246)
  1 by 1 by 1 MPI processor grid
create_atoms  1 box
Created 2000 atoms
  using lattice units in orthogonal box = (0.0000000 0.0000000 0.0000000) to (28.553246 28.553246 28.553246)
  create_atoms CPU = 0.001 seconds

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

kim_interactions Fe

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

kim interactions Fe
#=== BEGIN kim interactions ==================================
variable kim_update equal 0
variable kim_periodic equal 1
pair_style hybrid/overlay eam/alloy eam/fs
pair_coeff * * eam/alloy /tmp/kim-shared-library-parameter-file-directory-XXXXXX98diP9/FeCr_d.eam.alloy Fe
pair_coeff * * eam/fs /tmp/kim-shared-library-parameter-file-directory-XXXXXX98diP9/FeCr_s.eam.fs Fe
#=== END kim interactions ====================================


mass          1 ${mass_converted}
mass          1 55.845

# initial volume
variable      v equal vol        # assign formula
variable      V0 equal ${v}    # evaluate initial value
variable      V0 equal 23279.1146518723    
variable      V0_metal equal ${V0}/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23279.1146518723/(${_u_distance}*${_u_distance}*${_u_distance})
variable      V0_metal equal 23279.1146518723/(1*${_u_distance}*${_u_distance})
variable      V0_metal equal 23279.1146518723/(1*1*${_u_distance})
variable      V0_metal equal 23279.1146518723/(1*1*1)
variable      V0_metal_times1000 equal ${V0_metal}*1000
variable      V0_metal_times1000 equal 23279.1146518723*1000

print "Initial system volume: ${V0_metal} Angstroms^3"
Initial system volume: 23279.1146518723 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_237089298463_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   -8169.1229   -8169.1229   -8244.8702   -8244.8702       293.15       293.15    23279.115    23279.115    3475.5641    3475.5641 
    1000   -8088.8378   -8088.8378   -8158.8942   -8158.8942    271.12557    271.12557    23368.501    23368.501   -274.01198   -274.01198 
Loop time of 20.8064 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.153 ns/day, 5.780 hours/ns, 48.062 timesteps/s
88.5% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 20.516     | 20.516     | 20.516     |   0.0 | 98.60
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.058987   | 0.058987   | 0.058987   |   0.0 |  0.28
Output  | 0.00020234 | 0.00020234 | 0.00020234 |   0.0 |  0.00
Modify  | 0.19337    | 0.19337    | 0.19337    |   0.0 |  0.93
Other   |            | 0.03773    |            |       |  0.18

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

Total # of neighbors = 136000
Ave neighs/atom = 68.000000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 0, Press = 0
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 4.952 Mbytes
Step TotEng v_etotal_metal PotEng v_pe_metal Temp v_T_metal Volume v_V_metal Press v_P_metal 
    1000   -8088.8378   -8088.8378   -8158.8942   -8158.8942    271.12557    271.12557    23368.501    23368.501   -274.01198   -274.01198 
    2000   -8088.8251   -8088.8251   -8165.6812   -8165.6812     297.4409     297.4409    23342.714    23342.714    1184.2528    1184.2528 
Loop time of 20.0243 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.315 ns/day, 5.562 hours/ns, 49.939 timesteps/s
92.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.785     | 19.785     | 19.785     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046186   | 0.046186   | 0.046186   |   0.0 |  0.23
Output  | 0.00013749 | 0.00013749 | 0.00013749 |   0.0 |  0.00
Modify  | 0.16431    | 0.16431    | 0.16431    |   0.0 |  0.82
Other   |            | 0.02837    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5427.00 ave        5427 max        5427 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139174.0 ave      139174 max      139174 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139174
Ave neighs/atom = 69.587000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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   -8088.8251   -8088.8251   -8165.6812   -8165.6812     297.4409     297.4409    23342.714    23342.714    1184.2528    1184.2528 
    3000    -8089.553    -8089.553   -8160.0956   -8160.0956    273.00717    273.00717    23303.776    23303.776    4220.6113    4220.6113 
Loop time of 18.247 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.735 ns/day, 5.069 hours/ns, 54.804 timesteps/s
98.4% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.033     | 18.033     | 18.033     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042118   | 0.042118   | 0.042118   |   0.0 |  0.23
Output  | 0.00024124 | 0.00024124 | 0.00024124 |   0.0 |  0.00
Modify  | 0.14766    | 0.14766    | 0.14766    |   0.0 |  0.81
Other   |            | 0.02402    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138760.0 ave      138760 max      138760 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138760
Ave neighs/atom = 69.380000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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    -8089.553    -8089.553   -8160.0956   -8160.0956    273.00717    273.00717    23303.776    23303.776    4220.6113    4220.6113 
    4000   -8088.0254   -8088.0254   -8162.2384   -8162.2384      287.212      287.212    23344.262    23344.262    1535.5768    1535.5768 
Loop time of 17.6763 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.888 ns/day, 4.910 hours/ns, 56.573 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.476     | 17.476     | 17.476     |   0.0 | 98.87
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040342   | 0.040342   | 0.040342   |   0.0 |  0.23
Output  | 0.00012238 | 0.00012238 | 0.00012238 |   0.0 |  0.00
Modify  | 0.13896    | 0.13896    | 0.13896    |   0.0 |  0.79
Other   |            | 0.02095    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139252.0 ave      139252 max      139252 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139252
Ave neighs/atom = 69.626000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${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   -8088.0254   -8088.0254   -8162.2384   -8162.2384      287.212      287.212    23344.262    23344.262    1535.5768    1535.5768 
    5000   -8090.2563   -8090.2563    -8165.944    -8165.944    292.91891    292.91891    23332.996    23332.996    2288.5251    2288.5251 
Loop time of 17.9689 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.808 ns/day, 4.991 hours/ns, 55.652 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.758     | 17.758     | 17.758     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041572   | 0.041572   | 0.041572   |   0.0 |  0.23
Output  | 9.5471e-05 | 9.5471e-05 | 9.5471e-05 |   0.0 |  0.00
Modify  | 0.14581    | 0.14581    | 0.14581    |   0.0 |  0.81
Other   |            | 0.02302    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138874.0 ave      138874 max      138874 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138874
Ave neighs/atom = 69.437000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 296.135995404251, Press = -394.726694133289
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8090.2563   -8090.2563    -8165.944    -8165.944    292.91891    292.91891    23332.996    23332.996    2288.5251    2288.5251 
    6000   -8087.7508   -8087.7508    -8163.288    -8163.288    292.33684    292.33684     23320.94     23320.94    3053.8422    3053.8422 
Loop time of 17.8261 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.847 ns/day, 4.952 hours/ns, 56.097 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.615     | 17.615     | 17.615     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041229   | 0.041229   | 0.041229   |   0.0 |  0.23
Output  | 8.8673e-05 | 8.8673e-05 | 8.8673e-05 |   0.0 |  0.00
Modify  | 0.14743    | 0.14743    | 0.14743    |   0.0 |  0.83
Other   |            | 0.02201    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138647.0 ave      138647 max      138647 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138647
Ave neighs/atom = 69.323500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.263601375794, Press = -32.5588451764047
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8087.7508   -8087.7508    -8163.288    -8163.288    292.33684    292.33684     23320.94     23320.94    3053.8422    3053.8422 
    7000    -8090.931    -8090.931   -8169.2673   -8169.2673    303.16956    303.16956    23345.309    23345.309    1339.4697    1339.4697 
Loop time of 17.7155 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.877 ns/day, 4.921 hours/ns, 56.448 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.509     | 17.509     | 17.509     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040767   | 0.040767   | 0.040767   |   0.0 |  0.23
Output  | 9.5463e-05 | 9.5463e-05 | 9.5463e-05 |   0.0 |  0.00
Modify  | 0.14484    | 0.14484    | 0.14484    |   0.0 |  0.82
Other   |            | 0.0212     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139205.0 ave      139205 max      139205 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139205
Ave neighs/atom = 69.602500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.697869943529, Press = -21.4608397116254
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8090.931    -8090.931   -8169.2673   -8169.2673    303.16956    303.16956    23345.309    23345.309    1339.4697    1339.4697 
    8000   -8089.4156   -8089.4156   -8165.8644   -8165.8644    295.86509    295.86509    23339.977    23339.977    1437.1738    1437.1738 
Loop time of 17.6553 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.894 ns/day, 4.904 hours/ns, 56.640 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.451     | 17.451     | 17.451     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040393   | 0.040393   | 0.040393   |   0.0 |  0.23
Output  | 8.1033e-05 | 8.1033e-05 | 8.1033e-05 |   0.0 |  0.00
Modify  | 0.14323    | 0.14323    | 0.14323    |   0.0 |  0.81
Other   |            | 0.02106    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5463.00 ave        5463 max        5463 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138480.0 ave      138480 max      138480 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138480
Ave neighs/atom = 69.240000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.058323843586, Press = -18.6855996582809
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8089.4156   -8089.4156   -8165.8644   -8165.8644    295.86509    295.86509    23339.977    23339.977    1437.1738    1437.1738 
    9000   -8089.5839   -8089.5839   -8162.9502   -8162.9502    283.93521    283.93521    23324.669    23324.669     2906.317     2906.317 
Loop time of 17.6874 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.885 ns/day, 4.913 hours/ns, 56.538 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.481     | 17.481     | 17.481     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04068    | 0.04068    | 0.04068    |   0.0 |  0.23
Output  | 6.3444e-05 | 6.3444e-05 | 6.3444e-05 |   0.0 |  0.00
Modify  | 0.14463    | 0.14463    | 0.14463    |   0.0 |  0.82
Other   |            | 0.02137    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5463.00 ave        5463 max        5463 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138878.0 ave      138878 max      138878 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138878
Ave neighs/atom = 69.439000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.572037479495, Press = -18.196928964132
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8089.5839   -8089.5839   -8162.9502   -8162.9502    283.93521    283.93521    23324.669    23324.669     2906.317     2906.317 
   10000   -8088.3842   -8088.3842    -8164.007    -8164.007     292.6681     292.6681    23338.146    23338.146    2382.8267    2382.8267 
Loop time of 18.079 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.779 ns/day, 5.022 hours/ns, 55.313 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.858     | 17.858     | 17.858     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042636   | 0.042636   | 0.042636   |   0.0 |  0.24
Output  | 0.0001005  | 0.0001005  | 0.0001005  |   0.0 |  0.00
Modify  | 0.15466    | 0.15466    | 0.15466    |   0.0 |  0.86
Other   |            | 0.02403    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138800.0 ave      138800 max      138800 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138800
Ave neighs/atom = 69.400000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 291.992604717662, Press = -14.6927741774189
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8088.3842   -8088.3842    -8164.007    -8164.007     292.6681     292.6681    23338.146    23338.146    2382.8267    2382.8267 
   11000   -8089.1682   -8089.1682   -8164.1947   -8164.1947    290.36016    290.36016    23352.201    23352.201    812.07406    812.07406 
Loop time of 19.0934 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.525 ns/day, 5.304 hours/ns, 52.374 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.841     | 18.841     | 18.841     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.049326   | 0.049326   | 0.049326   |   0.0 |  0.26
Output  | 0.00010048 | 0.00010048 | 0.00010048 |   0.0 |  0.00
Modify  | 0.17454    | 0.17454    | 0.17454    |   0.0 |  0.91
Other   |            | 0.02877    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138825.0 ave      138825 max      138825 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138825
Ave neighs/atom = 69.412500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.116807428291, Press = -13.62182034466
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8089.1682   -8089.1682   -8164.1947   -8164.1947    290.36016    290.36016    23352.201    23352.201    812.07406    812.07406 
   12000   -8091.1917   -8091.1917   -8168.6238   -8168.6238    299.66995    299.66995    23354.447    23354.447    706.36333    706.36333 
Loop time of 19.0084 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.545 ns/day, 5.280 hours/ns, 52.608 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.77      | 18.77      | 18.77      |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045425   | 0.045425   | 0.045425   |   0.0 |  0.24
Output  | 0.00011087 | 0.00011087 | 0.00011087 |   0.0 |  0.00
Modify  | 0.16661    | 0.16661    | 0.16661    |   0.0 |  0.88
Other   |            | 0.02577    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5462.00 ave        5462 max        5462 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138879.0 ave      138879 max      138879 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138879
Ave neighs/atom = 69.439500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.329080478436, Press = -10.7381978128438
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8091.1917   -8091.1917   -8168.6238   -8168.6238    299.66995    299.66995    23354.447    23354.447    706.36333    706.36333 
   13000   -8087.1119   -8087.1119   -8161.2079   -8161.2079    286.75925    286.75925    23365.872    23365.872    441.90415    441.90415 
Loop time of 18.9615 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.557 ns/day, 5.267 hours/ns, 52.738 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.718     | 18.718     | 18.718     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04585    | 0.04585    | 0.04585    |   0.0 |  0.24
Output  | 0.00010706 | 0.00010706 | 0.00010706 |   0.0 |  0.00
Modify  | 0.17056    | 0.17056    | 0.17056    |   0.0 |  0.90
Other   |            | 0.0273     |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138411.0 ave      138411 max      138411 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138411
Ave neighs/atom = 69.205500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.218996837096, Press = -8.15702030380859
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8087.1119   -8087.1119   -8161.2079   -8161.2079    286.75925    286.75925    23365.872    23365.872    441.90415    441.90415 
   14000   -8089.0022   -8089.0022   -8165.2086   -8165.2086    294.92669    294.92669    23358.082    23358.082    566.71131    566.71131 
Loop time of 19.0698 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.531 ns/day, 5.297 hours/ns, 52.439 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.816     | 18.816     | 18.816     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.050564   | 0.050564   | 0.050564   |   0.0 |  0.27
Output  | 0.00011046 | 0.00011046 | 0.00011046 |   0.0 |  0.00
Modify  | 0.17505    | 0.17505    | 0.17505    |   0.0 |  0.92
Other   |            | 0.02846    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138935.0 ave      138935 max      138935 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138935
Ave neighs/atom = 69.467500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.285867280408, Press = -10.2957592331873
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8089.0022   -8089.0022   -8165.2086   -8165.2086    294.92669    294.92669    23358.082    23358.082    566.71131    566.71131 
   15000   -8092.1655   -8092.1655   -8166.5324   -8166.5324    287.80758    287.80758    23376.427    23376.427    -788.2118    -788.2118 
Loop time of 18.7551 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.607 ns/day, 5.210 hours/ns, 53.319 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.511     | 18.511     | 18.511     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046886   | 0.046886   | 0.046886   |   0.0 |  0.25
Output  | 9.4883e-05 | 9.4883e-05 | 9.4883e-05 |   0.0 |  0.00
Modify  | 0.17006    | 0.17006    | 0.17006    |   0.0 |  0.91
Other   |            | 0.02683    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138768.0 ave      138768 max      138768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138768
Ave neighs/atom = 69.384000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.087321393355, Press = -11.8313119981527
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8092.1655   -8092.1655   -8166.5324   -8166.5324    287.80758    287.80758    23376.427    23376.427    -788.2118    -788.2118 
   16000   -8090.9318   -8090.9318   -8163.7085   -8163.7085    281.65345    281.65345    23395.607    23395.607   -2001.4326   -2001.4326 
Loop time of 18.9437 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.561 ns/day, 5.262 hours/ns, 52.788 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.702     | 18.702     | 18.702     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045497   | 0.045497   | 0.045497   |   0.0 |  0.24
Output  | 0.00010832 | 0.00010832 | 0.00010832 |   0.0 |  0.00
Modify  | 0.16917    | 0.16917    | 0.16917    |   0.0 |  0.89
Other   |            | 0.02701    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138468.0 ave      138468 max      138468 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138468
Ave neighs/atom = 69.234000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.171059466291, Press = -7.47082561962851
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8090.9318   -8090.9318   -8163.7085   -8163.7085    281.65345    281.65345    23395.607    23395.607   -2001.4326   -2001.4326 
   17000   -8087.6753   -8087.6753   -8164.8882   -8164.8882    298.82184    298.82184    23389.849    23389.849   -1746.8306   -1746.8306 
Loop time of 18.5914 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.647 ns/day, 5.164 hours/ns, 53.788 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.36      | 18.36      | 18.36      |   0.0 | 98.76
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.044321   | 0.044321   | 0.044321   |   0.0 |  0.24
Output  | 6.8121e-05 | 6.8121e-05 | 6.8121e-05 |   0.0 |  0.00
Modify  | 0.16203    | 0.16203    | 0.16203    |   0.0 |  0.87
Other   |            | 0.02479    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138503.0 ave      138503 max      138503 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138503
Ave neighs/atom = 69.251500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.142055347235, Press = -1.60189939005964
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8087.6753   -8087.6753   -8164.8882   -8164.8882    298.82184    298.82184    23389.849    23389.849   -1746.8306   -1746.8306 
   18000   -8088.4089   -8088.4089   -8164.5719   -8164.5719    294.75892    294.75892    23354.668    23354.668     1042.275     1042.275 
Loop time of 19.0042 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.546 ns/day, 5.279 hours/ns, 52.620 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.756     | 18.756     | 18.756     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047568   | 0.047568   | 0.047568   |   0.0 |  0.25
Output  | 8.7946e-05 | 8.7946e-05 | 8.7946e-05 |   0.0 |  0.00
Modify  | 0.17221    | 0.17221    | 0.17221    |   0.0 |  0.91
Other   |            | 0.0279     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138553.0 ave      138553 max      138553 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138553
Ave neighs/atom = 69.276500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.282737098573, Press = -2.46901316378598
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8088.4089   -8088.4089   -8164.5719   -8164.5719    294.75892    294.75892    23354.668    23354.668     1042.275     1042.275 
   19000   -8090.7939   -8090.7939   -8165.9838   -8165.9838    290.99288    290.99288    23349.867    23349.867    1371.1522    1371.1522 
Loop time of 17.7938 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.856 ns/day, 4.943 hours/ns, 56.200 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.584     | 17.584     | 17.584     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041011   | 0.041011   | 0.041011   |   0.0 |  0.23
Output  | 6.5136e-05 | 6.5136e-05 | 6.5136e-05 |   0.0 |  0.00
Modify  | 0.14616    | 0.14616    | 0.14616    |   0.0 |  0.82
Other   |            | 0.02212    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138730.0 ave      138730 max      138730 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138730
Ave neighs/atom = 69.365000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.1277087658, Press = -1.19986457949093
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8090.7939   -8090.7939   -8165.9838   -8165.9838    290.99288    290.99288    23349.867    23349.867    1371.1522    1371.1522 
   20000   -8088.8003   -8088.8003   -8164.5731   -8164.5731    293.24871    293.24871    23326.337    23326.337    2433.1803    2433.1803 
Loop time of 19.2484 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.489 ns/day, 5.347 hours/ns, 51.952 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19         | 19         | 19         |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047809   | 0.047809   | 0.047809   |   0.0 |  0.25
Output  | 0.00012644 | 0.00012644 | 0.00012644 |   0.0 |  0.00
Modify  | 0.17285    | 0.17285    | 0.17285    |   0.0 |  0.90
Other   |            | 0.0279     |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5441.00 ave        5441 max        5441 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138663.0 ave      138663 max      138663 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138663
Ave neighs/atom = 69.331500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.169831549085, Press = -3.48903962262159
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8088.8003   -8088.8003   -8164.5731   -8164.5731    293.24871    293.24871    23326.337    23326.337    2433.1803    2433.1803 
   21000   -8091.4221   -8091.4221   -8167.3924   -8167.3924    294.01324    294.01324    23328.702    23328.702    2210.8039    2210.8039 
Loop time of 18.9593 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.557 ns/day, 5.266 hours/ns, 52.745 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.716     | 18.716     | 18.716     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046188   | 0.046188   | 0.046188   |   0.0 |  0.24
Output  | 9.7897e-05 | 9.7897e-05 | 9.7897e-05 |   0.0 |  0.00
Modify  | 0.17       | 0.17       | 0.17       |   0.0 |  0.90
Other   |            | 0.02689    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138921.0 ave      138921 max      138921 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138921
Ave neighs/atom = 69.460500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.025570407442, Press = -7.26709646292276
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8091.4221   -8091.4221   -8167.3924   -8167.3924    294.01324    294.01324    23328.702    23328.702    2210.8039    2210.8039 
   22000   -8088.8081   -8088.8081   -8164.1591   -8164.1591    291.61582    291.61582    23379.476    23379.476   -939.33701   -939.33701 
Loop time of 18.9806 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.552 ns/day, 5.272 hours/ns, 52.685 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.74      | 18.74      | 18.74      |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045725   | 0.045725   | 0.045725   |   0.0 |  0.24
Output  | 0.00011587 | 0.00011587 | 0.00011587 |   0.0 |  0.00
Modify  | 0.16723    | 0.16723    | 0.16723    |   0.0 |  0.88
Other   |            | 0.02708    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138788.0 ave      138788 max      138788 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138788
Ave neighs/atom = 69.394000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.212523506812, Press = -6.03994994463977
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8088.8081   -8088.8081   -8164.1591   -8164.1591    291.61582    291.61582    23379.476    23379.476   -939.33701   -939.33701 
   23000   -8088.8326   -8088.8326   -8165.0407   -8165.0407    294.93333    294.93333    23387.124    23387.124   -1605.4713   -1605.4713 
Loop time of 19.1992 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.500 ns/day, 5.333 hours/ns, 52.085 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.96      | 18.96      | 18.96      |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045573   | 0.045573   | 0.045573   |   0.0 |  0.24
Output  | 0.00010606 | 0.00010606 | 0.00010606 |   0.0 |  0.00
Modify  | 0.1678     | 0.1678     | 0.1678     |   0.0 |  0.87
Other   |            | 0.02603    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5459.00 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138682.0 ave      138682 max      138682 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138682
Ave neighs/atom = 69.341000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.240169904997, Press = -2.89697314009428
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8088.8326   -8088.8326   -8165.0407   -8165.0407    294.93333    294.93333    23387.124    23387.124   -1605.4713   -1605.4713 
   24000   -8092.4667   -8092.4667   -8165.8021   -8165.8021    283.81559    283.81559    23371.217    23371.217   -376.92349   -376.92349 
Loop time of 19.4388 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.445 ns/day, 5.400 hours/ns, 51.444 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.191     | 19.191     | 19.191     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047182   | 0.047182   | 0.047182   |   0.0 |  0.24
Output  | 6.3478e-05 | 6.3478e-05 | 6.3478e-05 |   0.0 |  0.00
Modify  | 0.17357    | 0.17357    | 0.17357    |   0.0 |  0.89
Other   |            | 0.02701    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138560.0 ave      138560 max      138560 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138560
Ave neighs/atom = 69.280000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.270018048542, Press = -0.83372036920325
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8092.4667   -8092.4667   -8165.8021   -8165.8021    283.81559    283.81559    23371.217    23371.217   -376.92349   -376.92349 
   25000   -8087.7921   -8087.7921   -8165.4775   -8165.4775    300.65031    300.65031    23353.139    23353.139    983.88653    983.88653 
Loop time of 19.3345 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.469 ns/day, 5.371 hours/ns, 51.721 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.086     | 19.086     | 19.086     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047493   | 0.047493   | 0.047493   |   0.0 |  0.25
Output  | 9.175e-05  | 9.175e-05  | 9.175e-05  |   0.0 |  0.00
Modify  | 0.17349    | 0.17349    | 0.17349    |   0.0 |  0.90
Other   |            | 0.02768    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5459.00 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138580.0 ave      138580 max      138580 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138580
Ave neighs/atom = 69.290000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.245337917504, Press = 0.249308581462349
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8087.7921   -8087.7921   -8165.4775   -8165.4775    300.65031    300.65031    23353.139    23353.139    983.88653    983.88653 
   26000   -8091.0021   -8091.0021    -8164.085    -8164.085    282.83837    282.83837    23289.355    23289.355    5119.8459    5119.8459 
Loop time of 18.3946 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.697 ns/day, 5.110 hours/ns, 54.364 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.169     | 18.169     | 18.169     |   0.0 | 98.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.043377   | 0.043377   | 0.043377   |   0.0 |  0.24
Output  | 6.7689e-05 | 6.7689e-05 | 6.7689e-05 |   0.0 |  0.00
Modify  | 0.15723    | 0.15723    | 0.15723    |   0.0 |  0.85
Other   |            | 0.02479    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5466.00 ave        5466 max        5466 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138742.0 ave      138742 max      138742 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138742
Ave neighs/atom = 69.371000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.254052569567, Press = 0.0699993730122982
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8091.0021   -8091.0021    -8164.085    -8164.085    282.83837    282.83837    23289.355    23289.355    5119.8459    5119.8459 
   27000   -8088.4233   -8088.4233   -8165.5768   -8165.5768    298.59201    298.59201    23326.453    23326.453    2689.0887    2689.0887 
Loop time of 18.7993 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.596 ns/day, 5.222 hours/ns, 53.193 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.564     | 18.564     | 18.564     |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045181   | 0.045181   | 0.045181   |   0.0 |  0.24
Output  | 9.5312e-05 | 9.5312e-05 | 9.5312e-05 |   0.0 |  0.00
Modify  | 0.16428    | 0.16428    | 0.16428    |   0.0 |  0.87
Other   |            | 0.02608    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5467.00 ave        5467 max        5467 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        139182.0 ave      139182 max      139182 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 139182
Ave neighs/atom = 69.591000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.284005406381, Press = -3.7006032122183
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8088.4233   -8088.4233   -8165.5768   -8165.5768    298.59201    298.59201    23326.453    23326.453    2689.0887    2689.0887 
   28000   -8091.4592   -8091.4592   -8168.0781   -8168.0781    296.52307    296.52307    23355.971    23355.971    386.84842    386.84842 
Loop time of 19.176 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.506 ns/day, 5.327 hours/ns, 52.148 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.933     | 18.933     | 18.933     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046705   | 0.046705   | 0.046705   |   0.0 |  0.24
Output  | 6.5652e-05 | 6.5652e-05 | 6.5652e-05 |   0.0 |  0.00
Modify  | 0.17051    | 0.17051    | 0.17051    |   0.0 |  0.89
Other   |            | 0.02625    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5465.00 ave        5465 max        5465 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138901.0 ave      138901 max      138901 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138901
Ave neighs/atom = 69.450500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.32654796756, Press = -3.05501736126523
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8091.4592   -8091.4592   -8168.0781   -8168.0781    296.52307    296.52307    23355.971    23355.971    386.84842    386.84842 
   29000   -8087.9421   -8087.9421    -8164.902    -8164.902    297.84286    297.84286    23367.158    23367.158    87.495296    87.495296 
Loop time of 18.9371 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.562 ns/day, 5.260 hours/ns, 52.806 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.699     | 18.699     | 18.699     |   0.0 | 98.74
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045602   | 0.045602   | 0.045602   |   0.0 |  0.24
Output  | 7.4367e-05 | 7.4367e-05 | 7.4367e-05 |   0.0 |  0.00
Modify  | 0.16653    | 0.16653    | 0.16653    |   0.0 |  0.88
Other   |            | 0.02584    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5453.00 ave        5453 max        5453 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138555.0 ave      138555 max      138555 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138555
Ave neighs/atom = 69.277500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.378603629133, Press = -2.36534411475896
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8087.9421   -8087.9421    -8164.902    -8164.902    297.84286    297.84286    23367.158    23367.158    87.495296    87.495296 
   30000   -8088.6253   -8088.6253   -8164.5911   -8164.5911    293.99572    293.99572    23363.979    23363.979   -28.592976   -28.592976 
Loop time of 19.5844 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.412 ns/day, 5.440 hours/ns, 51.061 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.332     | 19.332     | 19.332     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048138   | 0.048138   | 0.048138   |   0.0 |  0.25
Output  | 9.2688e-05 | 9.2688e-05 | 9.2688e-05 |   0.0 |  0.00
Modify  | 0.17702    | 0.17702    | 0.17702    |   0.0 |  0.90
Other   |            | 0.0271     |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5462.00 ave        5462 max        5462 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138735.0 ave      138735 max      138735 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138735
Ave neighs/atom = 69.367500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.458392521323, Press = -0.477989784629028
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8088.6253   -8088.6253   -8164.5911   -8164.5911    293.99572    293.99572    23363.979    23363.979   -28.592976   -28.592976 
   31000   -8087.5977   -8087.5977    -8164.714    -8164.714     298.4478     298.4478    23349.745    23349.745    941.56146    941.56146 
Loop time of 19.2383 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.491 ns/day, 5.344 hours/ns, 51.980 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.986     | 18.986     | 18.986     |   0.0 | 98.69
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047327   | 0.047327   | 0.047327   |   0.0 |  0.25
Output  | 6.9325e-05 | 6.9325e-05 | 6.9325e-05 |   0.0 |  0.00
Modify  | 0.17633    | 0.17633    | 0.17633    |   0.0 |  0.92
Other   |            | 0.0285     |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5442.00 ave        5442 max        5442 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138710.0 ave      138710 max      138710 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138710
Ave neighs/atom = 69.355000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.570536019817, Press = -0.365005580325845
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8087.5977   -8087.5977    -8164.714    -8164.714     298.4478     298.4478    23349.745    23349.745    941.56146    941.56146 
   32000   -8091.5928   -8091.5928   -8165.1387   -8165.1387    284.63036    284.63036     23323.56     23323.56    2799.1151    2799.1151 
Loop time of 19.4758 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.436 ns/day, 5.410 hours/ns, 51.346 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.216     | 19.216     | 19.216     |   0.0 | 98.67
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.049617   | 0.049617   | 0.049617   |   0.0 |  0.25
Output  | 7.3588e-05 | 7.3588e-05 | 7.3588e-05 |   0.0 |  0.00
Modify  | 0.18036    | 0.18036    | 0.18036    |   0.0 |  0.93
Other   |            | 0.02933    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5459.00 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138753.0 ave      138753 max      138753 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138753
Ave neighs/atom = 69.376500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.551669287488, Press = -1.27970164349628
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8091.5928   -8091.5928   -8165.1387   -8165.1387    284.63036    284.63036     23323.56     23323.56    2799.1151    2799.1151 
   33000   -8087.2056   -8087.2056   -8164.0599   -8164.0599    297.43404    297.43404    23335.702    23335.702    2044.4683    2044.4683 
Loop time of 19.2922 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.478 ns/day, 5.359 hours/ns, 51.834 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.037     | 19.037     | 19.037     |   0.0 | 98.68
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.049009   | 0.049009   | 0.049009   |   0.0 |  0.25
Output  | 9.5701e-05 | 9.5701e-05 | 9.5701e-05 |   0.0 |  0.00
Modify  | 0.17628    | 0.17628    | 0.17628    |   0.0 |  0.91
Other   |            | 0.02964    |            |       |  0.15

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5464.00 ave        5464 max        5464 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138963.0 ave      138963 max      138963 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138963
Ave neighs/atom = 69.481500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.532585291794, Press = -3.26881103594271
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8087.2056   -8087.2056   -8164.0599   -8164.0599    297.43404    297.43404    23335.702    23335.702    2044.4683    2044.4683 
   34000   -8088.0778   -8088.0778   -8163.5584   -8163.5584    292.11793    292.11793    23370.558    23370.558    42.033924    42.033924 
Loop time of 19.4234 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.448 ns/day, 5.395 hours/ns, 51.484 timesteps/s
99.7% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.176     | 19.176     | 19.176     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046964   | 0.046964   | 0.046964   |   0.0 |  0.24
Output  | 6.8134e-05 | 6.8134e-05 | 6.8134e-05 |   0.0 |  0.00
Modify  | 0.17264    | 0.17264    | 0.17264    |   0.0 |  0.89
Other   |            | 0.02731    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138903.0 ave      138903 max      138903 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138903
Ave neighs/atom = 69.451500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.53329771439, Press = -2.79258596952902
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8088.0778   -8088.0778   -8163.5584   -8163.5584    292.11793    292.11793    23370.558    23370.558    42.033924    42.033924 
   35000   -8085.5845   -8085.5845    -8162.872    -8162.872    299.11049    299.11049    23384.289    23384.289   -1036.9253   -1036.9253 
Loop time of 19.5658 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.416 ns/day, 5.435 hours/ns, 51.110 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.316     | 19.316     | 19.316     |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047939   | 0.047939   | 0.047939   |   0.0 |  0.25
Output  | 6.9721e-05 | 6.9721e-05 | 6.9721e-05 |   0.0 |  0.00
Modify  | 0.17352    | 0.17352    | 0.17352    |   0.0 |  0.89
Other   |            | 0.02809    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138609.0 ave      138609 max      138609 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138609
Ave neighs/atom = 69.304500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.569767445193, Press = -1.98484224912358
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8085.5845   -8085.5845    -8162.872    -8162.872    299.11049    299.11049    23384.289    23384.289   -1036.9253   -1036.9253 
   36000   -8090.8543   -8090.8543   -8165.9675   -8165.9675    290.69585    290.69585    23359.944    23359.944   -51.728011   -51.728011 
Loop time of 19.3163 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.473 ns/day, 5.366 hours/ns, 51.770 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.067     | 19.067     | 19.067     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047037   | 0.047037   | 0.047037   |   0.0 |  0.24
Output  | 9.6212e-05 | 9.6212e-05 | 9.6212e-05 |   0.0 |  0.00
Modify  | 0.17443    | 0.17443    | 0.17443    |   0.0 |  0.90
Other   |            | 0.02772    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5436.00 ave        5436 max        5436 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138709.0 ave      138709 max      138709 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138709
Ave neighs/atom = 69.354500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.620637594719, Press = -0.810020681947315
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8090.8543   -8090.8543   -8165.9675   -8165.9675    290.69585    290.69585    23359.944    23359.944   -51.728011   -51.728011 
   37000   -8087.9049   -8087.9049   -8163.8804   -8163.8804    294.03274    294.03274     23356.33     23356.33     673.7629     673.7629 
Loop time of 19.6167 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.404 ns/day, 5.449 hours/ns, 50.977 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.362     | 19.362     | 19.362     |   0.0 | 98.70
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047998   | 0.047998   | 0.047998   |   0.0 |  0.24
Output  | 6.6276e-05 | 6.6276e-05 | 6.6276e-05 |   0.0 |  0.00
Modify  | 0.17827    | 0.17827    | 0.17827    |   0.0 |  0.91
Other   |            | 0.02823    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5457.00 ave        5457 max        5457 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138658.0 ave      138658 max      138658 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138658
Ave neighs/atom = 69.329000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.578354290712, Press = -0.852991856614534
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8087.9049   -8087.9049   -8163.8804   -8163.8804    294.03274    294.03274     23356.33     23356.33     673.7629     673.7629 
   38000   -8093.1605   -8093.1605   -8167.4121   -8167.4121    287.36141    287.36141    23348.119    23348.119    917.84231    917.84231 
Loop time of 19.5598 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.417 ns/day, 5.433 hours/ns, 51.125 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.31      | 19.31      | 19.31      |   0.0 | 98.72
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04732    | 0.04732    | 0.04732    |   0.0 |  0.24
Output  | 6.7732e-05 | 6.7732e-05 | 6.7732e-05 |   0.0 |  0.00
Modify  | 0.17509    | 0.17509    | 0.17509    |   0.0 |  0.90
Other   |            | 0.02755    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138639.0 ave      138639 max      138639 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138639
Ave neighs/atom = 69.319500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.567556862801, Press = -1.56742145645217
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8093.1605   -8093.1605   -8167.4121   -8167.4121    287.36141    287.36141    23348.119    23348.119    917.84231    917.84231 
   39000   -8087.9044   -8087.9044   -8165.0352   -8165.0352    298.50409    298.50409    23335.546    23335.546    2100.6915    2100.6915 
Loop time of 19.4709 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.437 ns/day, 5.409 hours/ns, 51.359 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.219     | 19.219     | 19.219     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.048197   | 0.048197   | 0.048197   |   0.0 |  0.25
Output  | 9.3586e-05 | 9.3586e-05 | 9.3586e-05 |   0.0 |  0.00
Modify  | 0.1757     | 0.1757     | 0.1757     |   0.0 |  0.90
Other   |            | 0.02814    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138633.0 ave      138633 max      138633 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138633
Ave neighs/atom = 69.316500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.52874645329, Press = -2.26456757516127
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8087.9044   -8087.9044   -8165.0352   -8165.0352    298.50409    298.50409    23335.546    23335.546    2100.6915    2100.6915 
   40000   -8088.7293   -8088.7293    -8163.378    -8163.378    288.89811    288.89811    23355.178    23355.178    726.60724    726.60724 
Loop time of 19.5025 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.430 ns/day, 5.417 hours/ns, 51.276 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.254     | 19.254     | 19.254     |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047725   | 0.047725   | 0.047725   |   0.0 |  0.24
Output  | 6.8304e-05 | 6.8304e-05 | 6.8304e-05 |   0.0 |  0.00
Modify  | 0.17456    | 0.17456    | 0.17456    |   0.0 |  0.90
Other   |            | 0.02619    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5459.00 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138768.0 ave      138768 max      138768 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138768
Ave neighs/atom = 69.384000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.537376944184, Press = -3.77156036635831
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8088.7293   -8088.7293    -8163.378    -8163.378    288.89811    288.89811    23355.178    23355.178    726.60724    726.60724 
   41000   -8087.9023   -8087.9023   -8162.4952   -8162.4952    288.68226    288.68226    23385.545    23385.545   -1059.9267   -1059.9267 
Loop time of 19.5067 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.429 ns/day, 5.419 hours/ns, 51.264 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 19.254     | 19.254     | 19.254     |   0.0 | 98.71
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.047599   | 0.047599   | 0.047599   |   0.0 |  0.24
Output  | 6.9371e-05 | 6.9371e-05 | 6.9371e-05 |   0.0 |  0.00
Modify  | 0.17679    | 0.17679    | 0.17679    |   0.0 |  0.91
Other   |            | 0.02779    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138855.0 ave      138855 max      138855 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138855
Ave neighs/atom = 69.427500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.632213667801, Press = -2.73700602286132
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8087.9023   -8087.9023   -8162.4952   -8162.4952    288.68226    288.68226    23385.545    23385.545   -1059.9267   -1059.9267 
   42000   -8089.7129   -8089.7129   -8166.4783   -8166.4783    297.08981    297.08981    23376.297    23376.297   -579.34831   -579.34831 
Loop time of 17.9876 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.803 ns/day, 4.997 hours/ns, 55.594 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.771     | 17.771     | 17.771     |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04257    | 0.04257    | 0.04257    |   0.0 |  0.24
Output  | 0.00026159 | 0.00026159 | 0.00026159 |   0.0 |  0.00
Modify  | 0.15111    | 0.15111    | 0.15111    |   0.0 |  0.84
Other   |            | 0.02296    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138673.0 ave      138673 max      138673 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138673
Ave neighs/atom = 69.336500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.649341591201, Press = -1.17503308365475
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8089.7129   -8089.7129   -8166.4783   -8166.4783    297.08981    297.08981    23376.297    23376.297   -579.34831   -579.34831 
   43000   -8088.9839   -8088.9839   -8163.9628   -8163.9628    290.17614    290.17614    23373.754    23373.754    -422.6881    -422.6881 
Loop time of 18.1461 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.761 ns/day, 5.041 hours/ns, 55.108 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.925     | 17.925     | 17.925     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042596   | 0.042596   | 0.042596   |   0.0 |  0.23
Output  | 6.0329e-05 | 6.0329e-05 | 6.0329e-05 |   0.0 |  0.00
Modify  | 0.15406    | 0.15406    | 0.15406    |   0.0 |  0.85
Other   |            | 0.0243     |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5465.00 ave        5465 max        5465 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138519.0 ave      138519 max      138519 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138519
Ave neighs/atom = 69.259500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.672343915979, Press = -0.988010701367648
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8088.9839   -8088.9839   -8163.9628   -8163.9628    290.17614    290.17614    23373.754    23373.754    -422.6881    -422.6881 
   44000   -8087.3406   -8087.3406   -8164.2644   -8164.2644    297.70293    297.70293    23365.295    23365.295    61.113237    61.113237 
Loop time of 17.8544 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.839 ns/day, 4.960 hours/ns, 56.009 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.642     | 17.642     | 17.642     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041538   | 0.041538   | 0.041538   |   0.0 |  0.23
Output  | 6.6729e-05 | 6.6729e-05 | 6.6729e-05 |   0.0 |  0.00
Modify  | 0.14792    | 0.14792    | 0.14792    |   0.0 |  0.83
Other   |            | 0.02255    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138685.0 ave      138685 max      138685 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138685
Ave neighs/atom = 69.342500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.641345468825, Press = -0.264633645092475
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8087.3406   -8087.3406   -8164.2644   -8164.2644    297.70293    297.70293    23365.295    23365.295    61.113237    61.113237 
   45000   -8089.8355   -8089.8355   -8164.6676   -8164.6676    289.60802    289.60802    23355.892    23355.892     288.2504     288.2504 
Loop time of 17.9582 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.811 ns/day, 4.988 hours/ns, 55.685 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.742     | 17.742     | 17.742     |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042075   | 0.042075   | 0.042075   |   0.0 |  0.23
Output  | 5.7619e-05 | 5.7619e-05 | 5.7619e-05 |   0.0 |  0.00
Modify  | 0.1513     | 0.1513     | 0.1513     |   0.0 |  0.84
Other   |            | 0.02314    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138733.0 ave      138733 max      138733 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138733
Ave neighs/atom = 69.366500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.627446693387, Press = -0.646438902180819
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8089.8355   -8089.8355   -8164.6676   -8164.6676    289.60802    289.60802    23355.892    23355.892     288.2504     288.2504 
   46000   -8088.2281   -8088.2281   -8164.2819   -8164.2819    294.33616    294.33616    23325.637    23325.637    2975.6379    2975.6379 
Loop time of 18.1245 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.767 ns/day, 5.035 hours/ns, 55.174 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.905     | 17.905     | 17.905     |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042998   | 0.042998   | 0.042998   |   0.0 |  0.24
Output  | 0.00014803 | 0.00014803 | 0.00014803 |   0.0 |  0.00
Modify  | 0.15317    | 0.15317    | 0.15317    |   0.0 |  0.85
Other   |            | 0.02356    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138811.0 ave      138811 max      138811 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138811
Ave neighs/atom = 69.405500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.588892521419, Press = -0.553438405330366
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8088.2281   -8088.2281   -8164.2819   -8164.2819    294.33616    294.33616    23325.637    23325.637    2975.6379    2975.6379 
   47000   -8092.8392   -8092.8392   -8166.9505   -8166.9505    286.81814    286.81814    23334.765    23334.765     1806.981     1806.981 
Loop time of 18.3745 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.702 ns/day, 5.104 hours/ns, 54.423 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.145     | 18.145     | 18.145     |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04468    | 0.04468    | 0.04468    |   0.0 |  0.24
Output  | 9.9396e-05 | 9.9396e-05 | 9.9396e-05 |   0.0 |  0.00
Modify  | 0.15976    | 0.15976    | 0.15976    |   0.0 |  0.87
Other   |            | 0.02445    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5446.00 ave        5446 max        5446 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138914.0 ave      138914 max      138914 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138914
Ave neighs/atom = 69.457000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.579345570553, Press = -2.16402544871997
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8092.8392   -8092.8392   -8166.9505   -8166.9505    286.81814    286.81814    23334.765    23334.765     1806.981     1806.981 
   48000   -8086.2769   -8086.2769   -8163.0917   -8163.0917    297.28114    297.28114    23362.181    23362.181    418.47488    418.47488 
Loop time of 18.5858 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.649 ns/day, 5.163 hours/ns, 53.805 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.35      | 18.35      | 18.35      |   0.0 | 98.73
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.046721   | 0.046721   | 0.046721   |   0.0 |  0.25
Output  | 0.00010386 | 0.00010386 | 0.00010386 |   0.0 |  0.00
Modify  | 0.1638     | 0.1638     | 0.1638     |   0.0 |  0.88
Other   |            | 0.0256     |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138786.0 ave      138786 max      138786 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138786
Ave neighs/atom = 69.393000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.592408499418, Press = -2.50106447737817
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8086.2769   -8086.2769   -8163.0917   -8163.0917    297.28114    297.28114    23362.181    23362.181    418.47488    418.47488 
   49000   -8088.9647   -8088.9647   -8165.8449   -8165.8449     297.5346     297.5346     23369.75     23369.75    -425.6462    -425.6462 
Loop time of 18.6597 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.630 ns/day, 5.183 hours/ns, 53.591 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 18.426     | 18.426     | 18.426     |   0.0 | 98.75
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.045177   | 0.045177   | 0.045177   |   0.0 |  0.24
Output  | 9.5362e-05 | 9.5362e-05 | 9.5362e-05 |   0.0 |  0.00
Modify  | 0.16276    | 0.16276    | 0.16276    |   0.0 |  0.87
Other   |            | 0.02599    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5444.00 ave        5444 max        5444 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138733.0 ave      138733 max      138733 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138733
Ave neighs/atom = 69.366500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.66526058007, Press = -0.983771756208733
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8088.9647   -8088.9647   -8165.8449   -8165.8449     297.5346     297.5346     23369.75     23369.75    -425.6462    -425.6462 
   50000   -8086.4429   -8086.4429   -8163.0782   -8163.0782    296.58633    296.58633    23384.715    23384.715    -1187.294    -1187.294 
Loop time of 17.8675 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.836 ns/day, 4.963 hours/ns, 55.967 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.653     | 17.653     | 17.653     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04157    | 0.04157    | 0.04157    |   0.0 |  0.23
Output  | 6.5854e-05 | 6.5854e-05 | 6.5854e-05 |   0.0 |  0.00
Modify  | 0.14986    | 0.14986    | 0.14986    |   0.0 |  0.84
Other   |            | 0.02278    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5445.00 ave        5445 max        5445 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138646.0 ave      138646 max      138646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138646
Ave neighs/atom = 69.323000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.697900582944, Press = -1.09394273899397
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8086.4429   -8086.4429   -8163.0782   -8163.0782    296.58633    296.58633    23384.715    23384.715    -1187.294    -1187.294 
   51000   -8089.0904   -8089.0904   -8165.8162   -8165.8162    296.93655    296.93655    23371.675    23371.675    -553.6966    -553.6966 
Loop time of 17.8458 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.841 ns/day, 4.957 hours/ns, 56.036 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.63      | 17.63      | 17.63      |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042022   | 0.042022   | 0.042022   |   0.0 |  0.24
Output  | 0.00010141 | 0.00010141 | 0.00010141 |   0.0 |  0.00
Modify  | 0.15052    | 0.15052    | 0.15052    |   0.0 |  0.84
Other   |            | 0.0233     |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5455.00 ave        5455 max        5455 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138585.0 ave      138585 max      138585 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138585
Ave neighs/atom = 69.292500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.762560465177, Press = -0.732689163199007
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8089.0904   -8089.0904   -8165.8162   -8165.8162    296.93655    296.93655    23371.675    23371.675    -553.6966    -553.6966 
   52000   -8087.1331   -8087.1331    -8162.421    -8162.421    291.37196    291.37196    23360.359    23360.359    570.76627    570.76627 
Loop time of 17.8015 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.854 ns/day, 4.945 hours/ns, 56.175 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.588     | 17.588     | 17.588     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041688   | 0.041688   | 0.041688   |   0.0 |  0.23
Output  | 9.3858e-05 | 9.3858e-05 | 9.3858e-05 |   0.0 |  0.00
Modify  | 0.14922    | 0.14922    | 0.14922    |   0.0 |  0.84
Other   |            | 0.0227     |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138577.0 ave      138577 max      138577 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138577
Ave neighs/atom = 69.288500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.782354291138, Press = 0.17375262065288
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8087.1331   -8087.1331    -8162.421    -8162.421    291.37196    291.37196    23360.359    23360.359    570.76627    570.76627 
   53000    -8087.194    -8087.194   -8162.4578   -8162.4578    291.27868    291.27868    23337.588    23337.588    1901.2829    1901.2829 
Loop time of 17.7452 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.869 ns/day, 4.929 hours/ns, 56.353 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.532     | 17.532     | 17.532     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041594   | 0.041594   | 0.041594   |   0.0 |  0.23
Output  | 0.00015756 | 0.00015756 | 0.00015756 |   0.0 |  0.00
Modify  | 0.14863    | 0.14863    | 0.14863    |   0.0 |  0.84
Other   |            | 0.02253    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5451.00 ave        5451 max        5451 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138789.0 ave      138789 max      138789 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138789
Ave neighs/atom = 69.394500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.799840313375, Press = 0.414580146630489
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8087.194    -8087.194   -8162.4578   -8162.4578    291.27868    291.27868    23337.588    23337.588    1901.2829    1901.2829 
   54000   -8089.5349   -8089.5349   -8166.0752   -8166.0752     296.2189     296.2189    23320.168    23320.168    3270.3453    3270.3453 
Loop time of 17.7498 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.868 ns/day, 4.930 hours/ns, 56.339 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.538     | 17.538     | 17.538     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04163    | 0.04163    | 0.04163    |   0.0 |  0.23
Output  | 8.1711e-05 | 8.1711e-05 | 8.1711e-05 |   0.0 |  0.00
Modify  | 0.14768    | 0.14768    | 0.14768    |   0.0 |  0.83
Other   |            | 0.02215    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138862.0 ave      138862 max      138862 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138862
Ave neighs/atom = 69.431000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.79155794134, Press = -0.948888405830221
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8089.5349   -8089.5349   -8166.0752   -8166.0752     296.2189     296.2189    23320.168    23320.168    3270.3453    3270.3453 
   55000    -8088.655    -8088.655   -8163.8012   -8163.8012    290.82379    290.82379    23344.768    23344.768    1988.1951    1988.1951 
Loop time of 17.6795 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.887 ns/day, 4.911 hours/ns, 56.563 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.469     | 17.469     | 17.469     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041437   | 0.041437   | 0.041437   |   0.0 |  0.23
Output  | 8.6361e-05 | 8.6361e-05 | 8.6361e-05 |   0.0 |  0.00
Modify  | 0.14674    | 0.14674    | 0.14674    |   0.0 |  0.83
Other   |            | 0.02242    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5461.00 ave        5461 max        5461 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138738.0 ave      138738 max      138738 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138738
Ave neighs/atom = 69.369000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.775932490183, Press = -1.68087089477721
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8088.655    -8088.655   -8163.8012   -8163.8012    290.82379    290.82379    23344.768    23344.768    1988.1951    1988.1951 
   56000   -8090.8756   -8090.8756   -8165.9183   -8165.9183    290.42286    290.42286    23367.151    23367.151   -123.23703   -123.23703 
Loop time of 17.674 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.889 ns/day, 4.909 hours/ns, 56.580 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.463     | 17.463     | 17.463     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041421   | 0.041421   | 0.041421   |   0.0 |  0.23
Output  | 6.2667e-05 | 6.2667e-05 | 6.2667e-05 |   0.0 |  0.00
Modify  | 0.14747    | 0.14747    | 0.14747    |   0.0 |  0.83
Other   |            | 0.02245    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5468.00 ave        5468 max        5468 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138765.0 ave      138765 max      138765 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138765
Ave neighs/atom = 69.382500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.77141212283, Press = -1.77138796257796
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8090.8756   -8090.8756   -8165.9183   -8165.9183    290.42286    290.42286    23367.151    23367.151   -123.23703   -123.23703 
   57000   -8087.4848   -8087.4848   -8164.0088   -8164.0088    296.15572    296.15572    23382.461    23382.461   -1006.9121   -1006.9121 
Loop time of 17.5974 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.910 ns/day, 4.888 hours/ns, 56.827 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.389     | 17.389     | 17.389     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040827   | 0.040827   | 0.040827   |   0.0 |  0.23
Output  | 8.4502e-05 | 8.4502e-05 | 8.4502e-05 |   0.0 |  0.00
Modify  | 0.14547    | 0.14547    | 0.14547    |   0.0 |  0.83
Other   |            | 0.02185    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138585.0 ave      138585 max      138585 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138585
Ave neighs/atom = 69.292500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.818788464474, Press = -1.61354128260006
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8087.4848   -8087.4848   -8164.0088   -8164.0088    296.15572    296.15572    23382.461    23382.461   -1006.9121   -1006.9121 
   58000   -8087.4671   -8087.4671   -8162.4436   -8162.4436    290.16689    290.16689    23378.977    23378.977   -1058.7613   -1058.7613 
Loop time of 17.7251 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.874 ns/day, 4.924 hours/ns, 56.417 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.509     | 17.509     | 17.509     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041563   | 0.041563   | 0.041563   |   0.0 |  0.23
Output  | 6.5048e-05 | 6.5048e-05 | 6.5048e-05 |   0.0 |  0.00
Modify  | 0.15009    | 0.15009    | 0.15009    |   0.0 |  0.85
Other   |            | 0.02408    |            |       |  0.14

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138496.0 ave      138496 max      138496 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138496
Ave neighs/atom = 69.248000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.845637701058, Press = -1.34657664548475
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8087.4671   -8087.4671   -8162.4436   -8162.4436    290.16689    290.16689    23378.977    23378.977   -1058.7613   -1058.7613 
   59000   -8091.3067   -8091.3067   -8166.3117   -8166.3117    290.27725    290.27725    23384.977    23384.977   -1338.6334   -1338.6334 
Loop time of 17.7298 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.873 ns/day, 4.925 hours/ns, 56.402 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.519     | 17.519     | 17.519     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041624   | 0.041624   | 0.041624   |   0.0 |  0.23
Output  | 8.6518e-05 | 8.6518e-05 | 8.6518e-05 |   0.0 |  0.00
Modify  | 0.14679    | 0.14679    | 0.14679    |   0.0 |  0.83
Other   |            | 0.02214    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138646.0 ave      138646 max      138646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138646
Ave neighs/atom = 69.323000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.875492434547, Press = -0.660791589218934
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8091.3067   -8091.3067   -8166.3117   -8166.3117    290.27725    290.27725    23384.977    23384.977   -1338.6334   -1338.6334 
   60000   -8090.5103   -8090.5103   -8164.3581   -8164.3581    285.79851    285.79851    23378.684    23378.684   -817.95152   -817.95152 
Loop time of 17.7834 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.858 ns/day, 4.940 hours/ns, 56.232 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.573     | 17.573     | 17.573     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04146    | 0.04146    | 0.04146    |   0.0 |  0.23
Output  | 6.7173e-05 | 6.7173e-05 | 6.7173e-05 |   0.0 |  0.00
Modify  | 0.14722    | 0.14722    | 0.14722    |   0.0 |  0.83
Other   |            | 0.02211    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5464.00 ave        5464 max        5464 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138410.0 ave      138410 max      138410 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138410
Ave neighs/atom = 69.205000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.86828590582, Press = 0.518222403335879
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8090.5103   -8090.5103   -8164.3581   -8164.3581    285.79851    285.79851    23378.684    23378.684   -817.95152   -817.95152 
   61000   -8090.6688   -8090.6688   -8165.1207   -8165.1207     288.1365     288.1365    23356.767    23356.767    288.53584    288.53584 
Loop time of 17.862 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.837 ns/day, 4.962 hours/ns, 55.985 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.646     | 17.646     | 17.646     |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041735   | 0.041735   | 0.041735   |   0.0 |  0.23
Output  | 6.5851e-05 | 6.5851e-05 | 6.5851e-05 |   0.0 |  0.00
Modify  | 0.15119    | 0.15119    | 0.15119    |   0.0 |  0.85
Other   |            | 0.02345    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5448.00 ave        5448 max        5448 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138588.0 ave      138588 max      138588 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138588
Ave neighs/atom = 69.294000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.865996779329, Press = 0.866443065496449
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8090.6688   -8090.6688   -8165.1207   -8165.1207     288.1365     288.1365    23356.767    23356.767    288.53584    288.53584 
   62000   -8086.1607   -8086.1607   -8162.8761   -8162.8761    296.89687    296.89687    23343.046    23343.046    1792.3346    1792.3346 
Loop time of 17.9545 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.812 ns/day, 4.987 hours/ns, 55.696 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.739     | 17.739     | 17.739     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04209    | 0.04209    | 0.04209    |   0.0 |  0.23
Output  | 6.7451e-05 | 6.7451e-05 | 6.7451e-05 |   0.0 |  0.00
Modify  | 0.15048    | 0.15048    | 0.15048    |   0.0 |  0.84
Other   |            | 0.02286    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138669.0 ave      138669 max      138669 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138669
Ave neighs/atom = 69.334500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.886854043416, Press = -0.031913127281009
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8086.1607   -8086.1607   -8162.8761   -8162.8761    296.89687    296.89687    23343.046    23343.046    1792.3346    1792.3346 
   63000   -8090.1848   -8090.1848   -8164.9406   -8164.9406    289.31264    289.31264    23347.423    23347.423    1289.1325    1289.1325 
Loop time of 17.7409 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.870 ns/day, 4.928 hours/ns, 56.367 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.527     | 17.527     | 17.527     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041566   | 0.041566   | 0.041566   |   0.0 |  0.23
Output  | 0.00017171 | 0.00017171 | 0.00017171 |   0.0 |  0.00
Modify  | 0.14904    | 0.14904    | 0.14904    |   0.0 |  0.84
Other   |            | 0.02287    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5440.00 ave        5440 max        5440 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138801.0 ave      138801 max      138801 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138801
Ave neighs/atom = 69.400500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.926833127317, Press = -0.567849717638025
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8090.1848   -8090.1848   -8164.9406   -8164.9406    289.31264    289.31264    23347.423    23347.423    1289.1325    1289.1325 
   64000    -8088.149    -8088.149   -8165.0797   -8165.0797    297.72992    297.72992    23363.498    23363.498    368.99747    368.99747 
Loop time of 17.7004 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.881 ns/day, 4.917 hours/ns, 56.496 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.488     | 17.488     | 17.488     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041448   | 0.041448   | 0.041448   |   0.0 |  0.23
Output  | 6.0062e-05 | 6.0062e-05 | 6.0062e-05 |   0.0 |  0.00
Modify  | 0.14797    | 0.14797    | 0.14797    |   0.0 |  0.84
Other   |            | 0.02265    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138766.0 ave      138766 max      138766 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138766
Ave neighs/atom = 69.383000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.937031537479, Press = -0.110835796490433
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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    -8088.149    -8088.149   -8165.0797   -8165.0797    297.72992    297.72992    23363.498    23363.498    368.99747    368.99747 
   65000   -8088.7691   -8088.7691   -8163.1205   -8163.1205    287.74754    287.74754    23326.935    23326.935    2650.3533    2650.3533 
Loop time of 17.7816 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.859 ns/day, 4.939 hours/ns, 56.238 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.569     | 17.569     | 17.569     |   0.0 | 98.80
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041508   | 0.041508   | 0.041508   |   0.0 |  0.23
Output  | 6.4904e-05 | 6.4904e-05 | 6.4904e-05 |   0.0 |  0.00
Modify  | 0.1487     | 0.1487     | 0.1487     |   0.0 |  0.84
Other   |            | 0.02259    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138563.0 ave      138563 max      138563 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138563
Ave neighs/atom = 69.281500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.938643181207, Press = -0.191748208557876
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8088.7691   -8088.7691   -8163.1205   -8163.1205    287.74754    287.74754    23326.935    23326.935    2650.3533    2650.3533 
   66000   -8091.0123   -8091.0123   -8166.3737   -8166.3737    291.65654    291.65654    23297.674    23297.674    4594.1227    4594.1227 
Loop time of 17.9996 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.800 ns/day, 5.000 hours/ns, 55.557 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.777     | 17.777     | 17.777     |   0.0 | 98.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04278    | 0.04278    | 0.04278    |   0.0 |  0.24
Output  | 8.6189e-05 | 8.6189e-05 | 8.6189e-05 |   0.0 |  0.00
Modify  | 0.15501    | 0.15501    | 0.15501    |   0.0 |  0.86
Other   |            | 0.0243     |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138904.0 ave      138904 max      138904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138904
Ave neighs/atom = 69.452000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.926791660247, Press = -0.623309661133991
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8091.0123   -8091.0123   -8166.3737   -8166.3737    291.65654    291.65654    23297.674    23297.674    4594.1227    4594.1227 
   67000   -8087.4066   -8087.4066    -8165.489    -8165.489    302.18686    302.18686    23335.047    23335.047    2001.0629    2001.0629 
Loop time of 17.9983 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.800 ns/day, 5.000 hours/ns, 55.561 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.777     | 17.777     | 17.777     |   0.0 | 98.77
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042373   | 0.042373   | 0.042373   |   0.0 |  0.24
Output  | 0.00012338 | 0.00012338 | 0.00012338 |   0.0 |  0.00
Modify  | 0.15453    | 0.15453    | 0.15453    |   0.0 |  0.86
Other   |            | 0.02405    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5466.00 ave        5466 max        5466 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138904.0 ave      138904 max      138904 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138904
Ave neighs/atom = 69.452000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.918360612945, Press = -1.18017518711797
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8087.4066   -8087.4066    -8165.489    -8165.489    302.18686    302.18686    23335.047    23335.047    2001.0629    2001.0629 
   68000   -8089.4965   -8089.4965     -8164.64     -8164.64    290.81333    290.81333    23344.632    23344.632    1232.5727    1232.5727 
Loop time of 17.7744 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.861 ns/day, 4.937 hours/ns, 56.261 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.557     | 17.557     | 17.557     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041816   | 0.041816   | 0.041816   |   0.0 |  0.24
Output  | 7.7094e-05 | 7.7094e-05 | 7.7094e-05 |   0.0 |  0.00
Modify  | 0.15183    | 0.15183    | 0.15183    |   0.0 |  0.85
Other   |            | 0.02379    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5459.00 ave        5459 max        5459 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138787.0 ave      138787 max      138787 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138787
Ave neighs/atom = 69.393500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.917009706103, Press = -1.46790220766088
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8089.4965   -8089.4965     -8164.64     -8164.64    290.81333    290.81333    23344.632    23344.632    1232.5727    1232.5727 
   69000   -8087.0649   -8087.0649    -8165.066    -8165.066    301.87256    301.87256    23367.774    23367.774    140.06283    140.06283 
Loop time of 17.7475 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.868 ns/day, 4.930 hours/ns, 56.346 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.531     | 17.531     | 17.531     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.041962   | 0.041962   | 0.041962   |   0.0 |  0.24
Output  | 7.767e-05  | 7.767e-05  | 7.767e-05  |   0.0 |  0.00
Modify  | 0.15047    | 0.15047    | 0.15047    |   0.0 |  0.85
Other   |            | 0.02357    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138733.0 ave      138733 max      138733 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138733
Ave neighs/atom = 69.366500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.91975645577, Press = -1.46167350165451
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8087.0649   -8087.0649    -8165.066    -8165.066    301.87256    301.87256    23367.774    23367.774    140.06283    140.06283 
   70000   -8091.6046   -8091.6046   -8166.6267   -8166.6267    290.34335    290.34335    23368.828    23368.828   -625.67862   -625.67862 
Loop time of 17.7254 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.874 ns/day, 4.924 hours/ns, 56.416 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.511     | 17.511     | 17.511     |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04157    | 0.04157    | 0.04157    |   0.0 |  0.23
Output  | 9.3906e-05 | 9.3906e-05 | 9.3906e-05 |   0.0 |  0.00
Modify  | 0.14971    | 0.14971    | 0.14971    |   0.0 |  0.84
Other   |            | 0.02328    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5467.00 ave        5467 max        5467 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138620.0 ave      138620 max      138620 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138620
Ave neighs/atom = 69.310000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.889137043164, Press = -0.824568728898441
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8091.6046   -8091.6046   -8166.6267   -8166.6267    290.34335    290.34335    23368.828    23368.828   -625.67862   -625.67862 
   71000   -8088.1301   -8088.1301   -8164.8344   -8164.8344     296.8536     296.8536    23379.969    23379.969   -930.27496   -930.27496 
Loop time of 17.7864 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.858 ns/day, 4.941 hours/ns, 56.223 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.57      | 17.57      | 17.57      |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042027   | 0.042027   | 0.042027   |   0.0 |  0.24
Output  | 7.5023e-05 | 7.5023e-05 | 7.5023e-05 |   0.0 |  0.00
Modify  | 0.15113    | 0.15113    | 0.15113    |   0.0 |  0.85
Other   |            | 0.0235     |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5434.00 ave        5434 max        5434 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138523.0 ave      138523 max      138523 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138523
Ave neighs/atom = 69.261500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.883836279379, Press = -0.793305133931835
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8088.1301   -8088.1301   -8164.8344   -8164.8344     296.8536     296.8536    23379.969    23379.969   -930.27496   -930.27496 
   72000   -8092.2405   -8092.2405   -8167.5091   -8167.5091    291.29729    291.29729    23367.646    23367.646   -453.20981   -453.20981 
Loop time of 17.7515 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.867 ns/day, 4.931 hours/ns, 56.333 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.536     | 17.536     | 17.536     |   0.0 | 98.79
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.04174    | 0.04174    | 0.04174    |   0.0 |  0.24
Output  | 5.8928e-05 | 5.8928e-05 | 5.8928e-05 |   0.0 |  0.00
Modify  | 0.15044    | 0.15044    | 0.15044    |   0.0 |  0.85
Other   |            | 0.02338    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5464.00 ave        5464 max        5464 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138595.0 ave      138595 max      138595 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138595
Ave neighs/atom = 69.297500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.852431404256, Press = -0.727060664664203
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8092.2405   -8092.2405   -8167.5091   -8167.5091    291.29729    291.29729    23367.646    23367.646   -453.20981   -453.20981 
   73000   -8089.6407   -8089.6407   -8164.8727   -8164.8727    291.15546    291.15546    23362.543    23362.543   -55.176797   -55.176797 
Loop time of 17.7512 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.867 ns/day, 4.931 hours/ns, 56.334 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.534     | 17.534     | 17.534     |   0.0 | 98.78
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.042342   | 0.042342   | 0.042342   |   0.0 |  0.24
Output  | 8.1953e-05 | 8.1953e-05 | 8.1953e-05 |   0.0 |  0.00
Modify  | 0.15131    | 0.15131    | 0.15131    |   0.0 |  0.85
Other   |            | 0.02336    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138549.0 ave      138549 max      138549 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138549
Ave neighs/atom = 69.274500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.862736680112, Press = -0.666785313128198
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8089.6407   -8089.6407   -8164.8727   -8164.8727    291.15546    291.15546    23362.543    23362.543   -55.176797   -55.176797 
   74000   -8090.9404   -8090.9404   -8164.6578   -8164.6578    285.29381    285.29381    23362.113    23362.113    420.68072    420.68072 
Loop time of 17.6111 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.906 ns/day, 4.892 hours/ns, 56.782 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.402     | 17.402     | 17.402     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040876   | 0.040876   | 0.040876   |   0.0 |  0.23
Output  | 6.458e-05  | 6.458e-05  | 6.458e-05  |   0.0 |  0.00
Modify  | 0.14598    | 0.14598    | 0.14598    |   0.0 |  0.83
Other   |            | 0.02222    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5458.00 ave        5458 max        5458 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138646.0 ave      138646 max      138646 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138646
Ave neighs/atom = 69.323000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.895420500075, Press = -0.39166949421635
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8090.9404   -8090.9404   -8164.6578   -8164.6578    285.29381    285.29381    23362.113    23362.113    420.68072    420.68072 
   75000   -8083.6282   -8083.6282    -8162.405    -8162.405    304.87436    304.87436    23343.646    23343.646    1610.5036    1610.5036 
Loop time of 17.5671 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.918 ns/day, 4.880 hours/ns, 56.924 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.361     | 17.361     | 17.361     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040912   | 0.040912   | 0.040912   |   0.0 |  0.23
Output  | 5.7205e-05 | 5.7205e-05 | 5.7205e-05 |   0.0 |  0.00
Modify  | 0.1435     | 0.1435     | 0.1435     |   0.0 |  0.82
Other   |            | 0.0215     |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5447.00 ave        5447 max        5447 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138605.0 ave      138605 max      138605 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138605
Ave neighs/atom = 69.302500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.92995888974, Press = 0.204874118699886
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8083.6282   -8083.6282    -8162.405    -8162.405    304.87436    304.87436    23343.646    23343.646    1610.5036    1610.5036 
   76000   -8089.7649   -8089.7649   -8166.1766   -8166.1766    295.72122    295.72122     23323.72     23323.72    2954.3915    2954.3915 
Loop time of 17.4955 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.938 ns/day, 4.860 hours/ns, 57.157 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.292     | 17.292     | 17.292     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040345   | 0.040345   | 0.040345   |   0.0 |  0.23
Output  | 0.00018237 | 0.00018237 | 0.00018237 |   0.0 |  0.00
Modify  | 0.14239    | 0.14239    | 0.14239    |   0.0 |  0.81
Other   |            | 0.02095    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5450.00 ave        5450 max        5450 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138808.0 ave      138808 max      138808 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138808
Ave neighs/atom = 69.404000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.940442372882, Press = -0.258907653042008
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8089.7649   -8089.7649   -8166.1766   -8166.1766    295.72122    295.72122     23323.72     23323.72    2954.3915    2954.3915 
   77000   -8089.5774   -8089.5774   -8165.3841   -8165.3841    293.37987    293.37987    23328.515    23328.515    2569.3661    2569.3661 
Loop time of 17.5002 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.937 ns/day, 4.861 hours/ns, 57.142 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.297     | 17.297     | 17.297     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040422   | 0.040422   | 0.040422   |   0.0 |  0.23
Output  | 6.324e-05  | 6.324e-05  | 6.324e-05  |   0.0 |  0.00
Modify  | 0.14213    | 0.14213    | 0.14213    |   0.0 |  0.81
Other   |            | 0.02075    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5460.00 ave        5460 max        5460 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138748.0 ave      138748 max      138748 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138748
Ave neighs/atom = 69.374000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.947639505744, Press = -0.929770954611825
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8089.5774   -8089.5774   -8165.3841   -8165.3841    293.37987    293.37987    23328.515    23328.515    2569.3661    2569.3661 
   78000   -8091.4088   -8091.4088   -8164.7528   -8164.7528    283.84877    283.84877    23344.983    23344.983    1323.5171    1323.5171 
Loop time of 17.5073 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.935 ns/day, 4.863 hours/ns, 57.119 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.303     | 17.303     | 17.303     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040618   | 0.040618   | 0.040618   |   0.0 |  0.23
Output  | 6.4753e-05 | 6.4753e-05 | 6.4753e-05 |   0.0 |  0.00
Modify  | 0.14263    | 0.14263    | 0.14263    |   0.0 |  0.81
Other   |            | 0.02092    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5456.00 ave        5456 max        5456 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138869.0 ave      138869 max      138869 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138869
Ave neighs/atom = 69.434500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.902629905808, Press = -1.20113480842559
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8091.4088   -8091.4088   -8164.7528   -8164.7528    283.84877    283.84877    23344.983    23344.983    1323.5171    1323.5171 
   79000   -8086.9101   -8086.9101   -8165.4578   -8165.4578    303.98769    303.98769    23379.235    23379.235   -541.81783   -541.81783 
Loop time of 17.5274 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.929 ns/day, 4.869 hours/ns, 57.053 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.323     | 17.323     | 17.323     |   0.0 | 98.84
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040097   | 0.040097   | 0.040097   |   0.0 |  0.23
Output  | 9.236e-05  | 9.236e-05  | 9.236e-05  |   0.0 |  0.00
Modify  | 0.14273    | 0.14273    | 0.14273    |   0.0 |  0.81
Other   |            | 0.02104    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5432.00 ave        5432 max        5432 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138791.0 ave      138791 max      138791 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138791
Ave neighs/atom = 69.395500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.903899548983, Press = -1.07751436681088
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8086.9101   -8086.9101   -8165.4578   -8165.4578    303.98769    303.98769    23379.235    23379.235   -541.81783   -541.81783 
   80000     -8087.97     -8087.97   -8162.4052   -8162.4052    288.07209    288.07209    23393.644    23393.644   -1657.4409   -1657.4409 
Loop time of 17.5581 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.921 ns/day, 4.877 hours/ns, 56.954 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.349     | 17.349     | 17.349     |   0.0 | 98.81
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040859   | 0.040859   | 0.040859   |   0.0 |  0.23
Output  | 7.0398e-05 | 7.0398e-05 | 7.0398e-05 |   0.0 |  0.00
Modify  | 0.14595    | 0.14595    | 0.14595    |   0.0 |  0.83
Other   |            | 0.02204    |            |       |  0.13

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5439.00 ave        5439 max        5439 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138484.0 ave      138484 max      138484 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138484
Ave neighs/atom = 69.242000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.911739055772, Press = -0.767305636303065
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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     -8087.97     -8087.97   -8162.4052   -8162.4052    288.07209    288.07209    23393.644    23393.644   -1657.4409   -1657.4409 
   81000   -8088.7983   -8088.7983   -8166.1196   -8166.1196    299.24145    299.24145    23393.782    23393.782   -1899.2402   -1899.2402 
Loop time of 17.4646 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.947 ns/day, 4.851 hours/ns, 57.259 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.261     | 17.261     | 17.261     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040483   | 0.040483   | 0.040483   |   0.0 |  0.23
Output  | 0.0001798  | 0.0001798  | 0.0001798  |   0.0 |  0.00
Modify  | 0.14246    | 0.14246    | 0.14246    |   0.0 |  0.82
Other   |            | 0.02096    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138600.0 ave      138600 max      138600 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138600
Ave neighs/atom = 69.300000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.912848899444, Press = -0.357171519987324
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8088.7983   -8088.7983   -8166.1196   -8166.1196    299.24145    299.24145    23393.782    23393.782   -1899.2402   -1899.2402 
   82000   -8089.4856   -8089.4856   -8163.1482   -8163.1482    285.08194    285.08194     23397.87     23397.87   -2180.8584   -2180.8584 
Loop time of 17.4673 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.946 ns/day, 4.852 hours/ns, 57.250 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.262     | 17.262     | 17.262     |   0.0 | 98.82
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040749   | 0.040749   | 0.040749   |   0.0 |  0.23
Output  | 9.2643e-05 | 9.2643e-05 | 9.2643e-05 |   0.0 |  0.00
Modify  | 0.14341    | 0.14341    | 0.14341    |   0.0 |  0.82
Other   |            | 0.02125    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5449.00 ave        5449 max        5449 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138330.0 ave      138330 max      138330 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138330
Ave neighs/atom = 69.165000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.949313080687, Press = -0.138682287603518
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8089.4856   -8089.4856   -8163.1482   -8163.1482    285.08194    285.08194     23397.87     23397.87   -2180.8584   -2180.8584 
   83000   -8084.5576   -8084.5576    -8161.824    -8161.824    299.02866    299.02866    23374.529    23374.529   -292.06576   -292.06576 
Loop time of 17.5212 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.931 ns/day, 4.867 hours/ns, 57.074 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.316     | 17.316     | 17.316     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040344   | 0.040344   | 0.040344   |   0.0 |  0.23
Output  | 7.8757e-05 | 7.8757e-05 | 7.8757e-05 |   0.0 |  0.00
Modify  | 0.14371    | 0.14371    | 0.14371    |   0.0 |  0.82
Other   |            | 0.02128    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5462.00 ave        5462 max        5462 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138685.0 ave      138685 max      138685 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138685
Ave neighs/atom = 69.342500
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.969460454518, Press = 1.14921286660711
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8084.5576   -8084.5576    -8161.824    -8161.824    299.02866    299.02866    23374.529    23374.529   -292.06576   -292.06576 
   84000   -8091.0446   -8091.0446   -8166.2887   -8166.2887    291.20228    291.20228    23329.968    23329.968    2238.7624    2238.7624 
Loop time of 17.5475 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.924 ns/day, 4.874 hours/ns, 56.988 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.342     | 17.342     | 17.342     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040504   | 0.040504   | 0.040504   |   0.0 |  0.23
Output  | 0.00017693 | 0.00017693 | 0.00017693 |   0.0 |  0.00
Modify  | 0.14369    | 0.14369    | 0.14369    |   0.0 |  0.82
Other   |            | 0.02118    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5454.00 ave        5454 max        5454 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138750.0 ave      138750 max      138750 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138750
Ave neighs/atom = 69.375000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${V0_metal_times1000}" then "jump SELF unstable"
if "${T}>${T_low} && ${T}<${T_up} && ${P}>${P_low} && ${P}<${P_up}" then "jump SELF break"
print "flag: Temp = ${T}, Press = ${P}"
flag: Temp = 292.991291731065, Press = 0.243099456304909
next a
jump SELF top
variable a loop 2000
run 1000
Per MPI rank memory allocation (min/avg/max) = 4.952 | 4.952 | 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   -8091.0446   -8091.0446   -8166.2887   -8166.2887    291.20228    291.20228    23329.968    23329.968    2238.7624    2238.7624 
   85000   -8089.3957   -8089.3957   -8164.7776   -8164.7776    291.73575    291.73575    23343.383    23343.383    1253.7789    1253.7789 
Loop time of 17.5354 on 1 procs for 1000 steps with 2000 atoms

Performance: 4.927 ns/day, 4.871 hours/ns, 57.027 timesteps/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 17.331     | 17.331     | 17.331     |   0.0 | 98.83
Neigh   | 0          | 0          | 0          |   0.0 |  0.00
Comm    | 0.040289   | 0.040289   | 0.040289   |   0.0 |  0.23
Output  | 7.72e-05   | 7.72e-05   | 7.72e-05   |   0.0 |  0.00
Modify  | 0.14336    | 0.14336    | 0.14336    |   0.0 |  0.82
Other   |            | 0.02109    |            |       |  0.12

Nlocal:        2000.00 ave        2000 max        2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        5443.00 ave        5443 max        5443 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:        138880.0 ave      138880 max      138880 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 138880
Ave neighs/atom = 69.440000
Neighbor list builds = 0
Dangerous builds = 0
if "${V_metal}>${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
23365.629496949

print "LAMMPS calculation completed"
LAMMPS calculation completed
quit 0