LAMMPS (16 Mar 2018)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
  using 1 OpenMP thread(s) per MPI task
# bulk Si via Stillinger-Weber

units		metal
atom_style	atomic

lattice		diamond 5.431
Lattice spacing in x,y,z = 5.431 5.431 5.431
region		box block 0 20 0 20 0 10
create_box	1 box
Created orthogonal box = (0 0 0) to (108.62 108.62 54.31)
  1 by 1 by 1 MPI processor grid
create_atoms	1 box
Created 32000 atoms
  Time spent = 0.00191712 secs

pair_style	sw
pair_coeff	* * Si.sw Si
mass            1 28.06

velocity	all create 1000.0 376847 loop geom

neighbor	1.0 bin
neigh_modify    delay 5 every 1

fix		1 all nve

timestep	0.001

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 = 4.77118
  ghost atom cutoff = 4.77118
  binsize = 2.38559, bins = 46 46 23
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair sw, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 12.52 | 12.52 | 12.52 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0         1000    -138771.2            0      -134635    6866.6499 
     100    508.80533   -136736.12            0    -134631.6    6361.7858 
Loop time of 5.66634 on 1 procs for 100 steps with 32000 atoms

Performance: 1.525 ns/day, 15.740 hours/ns, 17.648 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    | 5.5464     | 5.5464     | 5.5464     |   0.0 | 97.88
Neigh   | 0.075834   | 0.075834   | 0.075834   |   0.0 |  1.34
Comm    | 0.0092049  | 0.0092049  | 0.0092049  |   0.0 |  0.16
Output  | 0.00010991 | 0.00010991 | 0.00010991 |   0.0 |  0.00
Modify  | 0.024666   | 0.024666   | 0.024666   |   0.0 |  0.44
Other   |            | 0.01014    |            |       |  0.18

Nlocal:    32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    12495 ave 12495 max 12495 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  894818 ave 894818 max 894818 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 894818
Ave neighs/atom = 27.9631
Neighbor list builds = 2
Dangerous builds = 0
Total wall time: 0:00:05
