LAMMPS (9 Oct 2020)
  using 1 OpenMP thread(s) per MPI task
# 3d Lennard-Jones melt

units		lj
atom_style	atomic

lattice		fcc 0.8442
Lattice spacing in x,y,z = 1.6795962 1.6795962 1.6795962
region		box block 0 20 0 20 0 20
create_box	1 box
Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (33.591924 33.591924 33.591924)
  1 by 1 by 1 MPI processor grid
create_atoms	1 box
Created 32000 atoms
  create_atoms CPU = 0.002 seconds
mass		1 1.0

velocity	all create 1.44 87287 loop geom

pair_style	lj/cut 2.5
pair_coeff	1 1 1.0 1.0 2.5

neighbor	0.3 bin
neigh_modify    delay 5 every 1

fix		1 all nve

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 = 2.8
  ghost atom cutoff = 2.8
  binsize = 1.4, bins = 24 24 24
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair lj/cut, 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) = 15.82 | 15.82 | 15.82 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0         1.44   -6.7733681            0   -4.6134356   -5.0197073 
     100   0.75745998   -5.7584998            0   -4.6223453   0.20729996 
Loop time of 1.59245 on 1 procs for 100 steps with 32000 atoms

Performance: 27127.959 tau/day, 62.796 timesteps/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.1654     | 1.1654     | 1.1654     |   0.0 | 73.18
Neigh   | 0.38321    | 0.38321    | 0.38321    |   0.0 | 24.06
Comm    | 0.014476   | 0.014476   | 0.014476   |   0.0 |  0.91
Output  | 9.5844e-05 | 9.5844e-05 | 9.5844e-05 |   0.0 |  0.01
Modify  | 0.021453   | 0.021453   | 0.021453   |   0.0 |  1.35
Other   |            | 0.007799   |            |       |  0.49

Nlocal:        32000.0 ave       32000 max       32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:        19669.0 ave       19669 max       19669 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    1.20318e+06 ave 1.20318e+06 max 1.20318e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1203176
Ave neighs/atom = 37.599250
Neighbor list builds = 11
Dangerous builds = 0
Total wall time: 0:00:01
