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)
  2 by 2 by 1 MPI processor grid
create_atoms	1 box
Created 32000 atoms
  Time spent = 0.000604153 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) = 4.104 | 4.104 | 4.104 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 1.47105 on 4 procs for 100 steps with 32000 atoms

Performance: 5.873 ns/day, 4.086 hours/ns, 67.978 timesteps/s
98.8% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.3788     | 1.3929     | 1.4053     |   0.8 | 94.69
Neigh   | 0.019134   | 0.019502   | 0.019816   |   0.2 |  1.33
Comm    | 0.024183   | 0.035734   | 0.049122   |   4.7 |  2.43
Output  | 5.1975e-05 | 6.6102e-05 | 0.00010204 |   0.0 |  0.00
Modify  | 0.0063825  | 0.0064374  | 0.0064764  |   0.0 |  0.44
Other   |            | 0.01638    |            |       |  1.11

Nlocal:    8000 ave 8015 max 7978 min
Histogram: 1 0 0 0 0 0 1 1 0 1
Nghost:    4995 ave 5017 max 4980 min
Histogram: 1 0 1 1 0 0 0 0 0 1
Neighs:    0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs:  223704 ave 224108 max 223131 min
Histogram: 1 0 0 0 0 0 1 1 0 1

Total # of neighbors = 894818
Ave neighs/atom = 27.9631
Neighbor list builds = 2
Dangerous builds = 0
Total wall time: 0:00:01
