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 2 by 2 MPI processor grid
create_atoms	1 box
Created 32000 atoms
  create_atoms CPU = 0.001 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) = 6.881 | 6.881 | 6.881 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 0.452443 on 4 procs for 100 steps with 32000 atoms

Performance: 95481.741 tau/day, 221.023 timesteps/s
98.4% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 0.31149    | 0.3132     | 0.31493    |   0.2 | 69.22
Neigh   | 0.1006     | 0.10164    | 0.10385    |   0.4 | 22.47
Comm    | 0.02195    | 0.025904   | 0.028603   |   1.6 |  5.73
Output  | 4.3631e-05 | 7.534e-05  | 0.00015879 |   0.0 |  0.02
Modify  | 0.0067751  | 0.0073788  | 0.0088398  |   1.0 |  1.63
Other   |            | 0.004243   |            |       |  0.94

Nlocal:        8000.00 ave        8041 max        7958 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost:        9011.00 ave        9065 max        8961 min
Histogram: 1 1 0 0 0 0 0 1 0 1
Neighs:       300794.0 ave      304843 max      297317 min
Histogram: 1 0 0 1 1 0 0 0 0 1

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