LAMMPS (5 Oct 2007)
# 3d Lennard-Jones melt

variable	x index 20
variable	y index 20
variable	z index 20

units		lj
atom_style	atomic

lattice		fcc 0.8442
Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
region		box block 0 $x 0 $y 0 $z
region		box block 0 20 0 $y 0 $z
region		box block 0 20 0 20 0 $z
region		box block 0 20 0 20 0 20
create_box	1 box
Created orthogonal box = (0 0 0) to (33.5919 33.5919 33.5919)
  1 by 2 by 2 processor grid
create_atoms	1 box
Created 32000 atoms
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 0 every 20 check no

fix		1 all nve

run		100
Memory usage per processor = 3.88556 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0         1.44   -6.7733681            0   -4.6134356   -5.0197073 
     100   0.77218928   -5.7804197            0   -4.6221719  0.072558996 
Loop time of 1.12636 on 4 procs for 100 steps with 32000 atoms

Pair  time (%) = 0.867727 (77.0383)
Neigh time (%) = 0.0890129 (7.90273)
Comm  time (%) = 0.138108 (12.2615)
Outpt time (%) = 0.00042218 (0.0374819)
Other time (%) = 0.0310873 (2.75999)

Nlocal:    8000 ave 8049 max 7971 min
Histogram: 2 0 0 0 1 0 0 0 0 1
Nghost:    9015.5 ave 9051 max 8966 min
Histogram: 1 0 0 0 1 0 0 0 1 1
Neighs:    300579 ave 304810 max 298185 min
Histogram: 1 1 0 1 0 0 0 0 0 1

Total # of neighbors = 1202315
Ave neighs/atom = 37.5723
Neighbor list builds = 5
Dangerous builds = 0
