LAMMPS (9 Oct 2020)
  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 = 5.4310000 5.4310000 5.4310000
region		box block 0 20 0 20 0 10
create_box	1 box
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (108.62000 108.62000 54.310000)
  2 by 2 by 1 MPI processor grid
create_atoms	1 box
Created 32000 atoms
  create_atoms CPU = 0.001 seconds

pair_style	sw
pair_coeff	* * Si.sw Si
Reading sw potential file Si.sw with DATE: 2007-06-11
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 1.04386 on 4 procs for 100 steps with 32000 atoms

Performance: 8.277 ns/day, 2.900 hours/ns, 95.798 timesteps/s
98.7% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.96496    | 0.97632    | 0.9978     |   1.3 | 93.53
Neigh   | 0.01732    | 0.017998   | 0.019718   |   0.7 |  1.72
Comm    | 0.012035   | 0.036398   | 0.049588   |   7.7 |  3.49
Output  | 4.5061e-05 | 5.5015e-05 | 7.7248e-05 |   0.0 |  0.01
Modify  | 0.0070148  | 0.0070775  | 0.0071096  |   0.0 |  0.68
Other   |            | 0.006012   |            |       |  0.58

Nlocal:        8000.00 ave        8015 max        7978 min
Histogram: 1 0 0 0 0 0 1 1 0 1
Nghost:        4995.00 ave        5017 max        4980 min
Histogram: 1 0 1 1 0 0 0 0 0 1
Neighs:        0.00000 ave           0 max           0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
FullNghs:     223704.0 ave      224108 max      223131 min
Histogram: 1 0 0 0 0 0 1 1 0 1

Total # of neighbors = 894818
Ave neighs/atom = 27.963062
Neighbor list builds = 2
Dangerous builds = 0
Total wall time: 0:00:01
