LAMMPS (23 Jun 2017)
  using 1 OpenMP thread(s) per MPI task
# AIREBO polyethelene benchmark

units		    metal
atom_style	    atomic

read_data	    data.airebo
  orthogonal box = (-2.1 -2.1 0) to (2.1 2.1 25.579)
  1 by 1 by 4 MPI processor grid
  reading atoms ...
  60 atoms

replicate	    17 16 2
  orthogonal box = (-2.1 -2.1 0) to (69.3 65.1 51.158)
  2 by 2 by 1 MPI processor grid
  32640 atoms

neighbor	    0.5 bin
neigh_modify	    delay 5 every 1

pair_style	    airebo/morse 3.0 1 1
pair_coeff	    * * ../../potentials/CH.airebo-m C H
Reading potential file ../../potentials/CH.airebo-m with DATE: 2016-03-15

velocity	    all create 300.0 761341

fix		    1 all nve
timestep	    0.0005

thermo		    10
run		    100
Neighbor list info ...
  update every 1 steps, delay 5 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 10.7
  ghost atom cutoff = 10.7
  binsize = 5.35, bins = 14 13 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair airebo/morse, perpetual
      attributes: full, newton on, ghost
      pair build: full/bin/ghost
      stencil: full/ghost/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 29.37 | 29.75 | 30.13 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0          300   -139283.82            0   -138018.14    152.25271 
      10    166.76148   -138718.75            0   -138015.19    17412.343 
      20     207.7293   -138891.79            0    -138015.4   -19395.339 
      30    138.54469   -138596.42            0   -138011.92   -11909.248 
      40    153.95239    -138661.7            0   -138012.19   -2448.7701 
      50    126.22907   -138545.12            0   -138012.57    5206.1374 
      60    181.02757   -138778.28            0   -138014.54    22506.777 
      70    185.72779   -138799.18            0   -138015.61   -10803.744 
      80    164.28396    -138709.5            0    -138016.4   -1524.7353 
      90    180.26403   -138776.42            0    -138015.9   -27143.467 
     100    164.05694   -138706.58            0   -138014.44    5157.5516 
Loop time of 32.9268 on 4 procs for 100 steps with 32640 atoms

Performance: 0.131 ns/day, 182.927 hours/ns, 3.037 timesteps/s
99.4% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 28.045     | 28.537     | 29.42      |  10.4 | 86.67
Neigh   | 3.163      | 3.237      | 3.3761     |   4.7 |  9.83
Comm    | 0.09883    | 1.1206     | 1.6862     |  60.4 |  3.40
Output  | 0.00099325 | 0.0011329  | 0.0012462  |   0.3 |  0.00
Modify  | 0.016013   | 0.016726   | 0.017257   |   0.4 |  0.05
Other   |            | 0.01459    |            |       |  0.04

Nlocal:    8160 ave 8167 max 8153 min
Histogram: 1 0 1 0 0 0 0 1 0 1
Nghost:    22581 ave 22594 max 22569 min
Histogram: 1 0 0 0 1 1 0 0 0 1
Neighs:    0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs:  5.55273e+06 ave 5.55908e+06 max 5.54496e+06 min
Histogram: 1 0 0 0 0 1 1 0 0 1

Total # of neighbors = 22210922
Ave neighs/atom = 680.482
Neighbor list builds = 8
Dangerous builds = 0
Total wall time: 0:00:33