LAMMPS (9 Oct 2020)
  using 1 OpenMP thread(s) per MPI task
# EIM benchmark
# if run long enough (e.g. 1M steps), the unstable CsCl form of a NaCl single
# crystal can be annealed to the correct NaCl type of NaCl polycrystals

units		metal
atom_style      atomic

read_data       data.eim
Reading data file ...
  orthogonal box = (-0.5 -0.5 -0.5) to (71.580002 143.66000 71.580002)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  32000 atoms
  reading velocities ...
  32000 velocities
  read_data CPU = 0.024 seconds

pair_style      eim
pair_coeff      * * Na Cl ffield.eim Na Cl

neighbor	0.3 bin
neigh_modify    delay 0 every 1

timestep        0.0005
thermo_style    custom step pe pxx pyy pzz temp

velocity        all create 1400.0 43454 dist gaussian mom yes

fix             int all npt temp 1400.0 1400.0 0.1 aniso 0.0 0.0 0.1
# anneal in much longer run
#fix             int all npt temp 1400.0 300.0 0.1 aniso 0.0 0.0 0.1

run             100
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 7.906
  ghost atom cutoff = 7.906
  binsize = 3.953, bins = 19 37 19
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair eim, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 17.74 | 17.74 | 17.74 Mbytes
Step PotEng Pxx Pyy Pzz Temp 
       0    -90567.58    -117883.6   -118039.81   -117894.07         1400 
     100    -91997.39    -4127.237   -4160.9799   -4169.0581    944.09785 
Loop time of 10.3731 on 1 procs for 100 steps with 32000 atoms

Performance: 0.416 ns/day, 57.628 hours/ns, 9.640 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    | 8.8937     | 8.8937     | 8.8937     |   0.0 | 85.74
Neigh   | 1.344      | 1.344      | 1.344      |   0.0 | 12.96
Comm    | 0.028207   | 0.028207   | 0.028207   |   0.0 |  0.27
Output  | 0.00020099 | 0.00020099 | 0.00020099 |   0.0 |  0.00
Modify  | 0.093584   | 0.093584   | 0.093584   |   0.0 |  0.90
Other   |            | 0.0134     |            |       |  0.13

Nlocal:        32000.0 ave       32000 max       32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        21505.0 ave       21505 max       21505 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    1.58387e+06 ave 1.58387e+06 max 1.58387e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1583871
Ave neighs/atom = 49.495969
Neighbor list builds = 37
Dangerous builds = 12
Total wall time: 0:00:10
