LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task
# NaCl test problem for embedded atom method (EIM) potential

units		metal
atom_style      atomic

boundary	p p p

lattice         diamond 5.0
Lattice spacing in x,y,z = 5 5 5
read_data       data.eim
  orthogonal box = (-0.5 -0.5 -0.5) to (35.54 35.54 35.54)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  2000 atoms
  reading velocities ...
  2000 velocities

pair_style      eim
pair_coeff      * * Na Cl ffield.eim Na Cl
Reading potential file ffield.eim with DATE: 2010-08-31

neighbor	0.3 bin
neigh_modify	delay 0

timestep        0.001
thermo_style    custom step pe pxx pyy pzz temp
thermo          50

velocity        all create 1400.0 43454 dist gaussian mom yes
fix             int all npt temp 1400.0 300.0 0.1 aniso 0.0 0.0 0.1

#dump		id all atom 100 dump.eim

#dump		2 all image 25 image.*.jpg element element #		axes yes 0.8 0.02 view 60 -30
#dump_modify	2 pad 3 element Na Cl

#dump		3 all movie 25 movie.mpg element element #		axes yes 0.8 0.02 view 60 -30
#dump_modify	3 pad 3 element Na Cl

run             500
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 = 10 10 10
  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) = 3.169 | 3.169 | 3.169 Mbytes
Step PotEng Pxx Pyy Pzz Temp 
       0   -5660.4738   -118151.29   -117613.39   -118064.41         1400 
      50   -5773.8755      1024.91    1034.0269     838.0568    891.54632 
     100   -5742.8536     806.6806    769.72456     836.8687    838.72572 
     150   -5738.7736   -355.86552     -362.389   -155.34159    900.47212 
     200   -5704.2318   -227.29937   -538.51196    -762.1005    834.64611 
     250   -5724.4788    502.49466    657.68817    529.01376    966.07978 
     300   -5718.6085    457.03928    186.13362    725.43587    934.80653 
     350   -5722.7713   -318.51677   -377.15809    125.76892    865.12488 
     400   -5743.7387   -2.3555301    61.330533   -402.22943    840.67167 
     450   -5751.2518   -437.13614   -374.77859    236.60865    743.10367 
     500   -5780.5268   -750.96919   -793.62966   -1722.9652    712.74134 
Loop time of 6.10824 on 1 procs for 500 steps with 2000 atoms

Performance: 7.072 ns/day, 3.393 hours/ns, 81.857 timesteps/s
99.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 5.5778     | 5.5778     | 5.5778     |   0.0 | 91.32
Neigh   | 0.43316    | 0.43316    | 0.43316    |   0.0 |  7.09
Comm    | 0.027343   | 0.027343   | 0.027343   |   0.0 |  0.45
Output  | 0.00038743 | 0.00038743 | 0.00038743 |   0.0 |  0.01
Modify  | 0.060761   | 0.060761   | 0.060761   |   0.0 |  0.99
Other   |            | 0.008835   |            |       |  0.14

Nlocal:    2000 ave 2000 max 2000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    4198 ave 4198 max 4198 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    99451 ave 99451 max 99451 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 99451
Ave neighs/atom = 49.7255
Neighbor list builds = 90
Dangerous builds = 10
Total wall time: 0:00:06
