LAMMPS (12 Feb 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 box = (0 0 0) to (33.5919 33.5919 33.5919)
  2 by 2 by 2 processor grid
create_atoms	1
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 = 2.13618 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0         1.44   -6.7733681            0   -4.6134356   -5.0197073 
     100   0.77196819   -5.7795465            0   -4.6216304  0.079908069 
Loop time of 1.30724 on 8 procs for 100 steps with 32000 atoms

Pair  time (%) = 0.816335 (62.4473)
Neigh time (%) = 0.0767174 (5.86866)
Comm  time (%) = 0.352994 (27.003)
Outpt time (%) = 0.000502974 (0.0384761)
Other time (%) = 0.060688 (4.64247)

Nlocal:    4000 ave 4038 max 3962 min
Histogram: 2 1 0 1 0 0 2 0 0 2
Nghost:    5778.12 ave 5820 max 5742 min
Histogram: 2 0 2 0 0 1 0 2 0 1
Neighs:    150441 ave 152219 max 147904 min
Histogram: 1 0 0 2 0 1 0 2 0 2

Total # of neighbors = 1203529
Ave neighs/atom = 37.6103
Neighbor list builds = 5
Dangerous builds = 0