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 4 by 1 MPI processor grid
  reading atoms ...
  32000 atoms
  reading velocities ...
  32000 velocities
  read_data CPU = 0.023 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) = 7.460 | 7.460 | 7.460 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 3.14457 on 4 procs for 100 steps with 32000 atoms

Performance: 1.374 ns/day, 17.470 hours/ns, 31.801 timesteps/s
95.8% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.6017     | 2.6264     | 2.6758     |   1.8 | 83.52
Neigh   | 0.34384    | 0.35308    | 0.36784    |   1.6 | 11.23
Comm    | 0.039635   | 0.099661   | 0.15326    |  15.0 |  3.17
Output  | 6.485e-05  | 9.656e-05  | 0.0001905  |   0.0 |  0.00
Modify  | 0.035666   | 0.055446   | 0.098401   |  10.6 |  1.76
Other   |            | 0.009939   |            |       |  0.32

Nlocal:        8000.00 ave        8000 max        8000 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Nghost:        9460.25 ave        9469 max        9449 min
Histogram: 1 0 0 0 0 1 0 1 0 1
Neighs:       395968.0 ave      397233 max      394606 min
Histogram: 1 0 0 1 0 0 0 1 0 1

Total # of neighbors = 1583871
Ave neighs/atom = 49.495969
Neighbor list builds = 37
Dangerous builds = 12
Total wall time: 0:00:03
