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 40 0 $y 0 $z
region		box block 0 40 0 40 0 $z
region		box block 0 40 0 40 0 20
create_box	1 box
Created orthogonal box = (0 0 0) to (67.1838 67.1838 33.5919)
  2 by 2 by 1 processor grid
create_atoms	1 box
Created 128000 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 = 12.7603 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0         1.44   -6.7733681            0   -4.6133849   -5.0196788 
     100   0.75341035   -5.7518267            0     -4.62172    0.2612672 
Loop time of 5.14761 on 4 procs for 100 steps with 128000 atoms

Pair  time (%) = 3.82234 (74.2548)
Neigh time (%) = 0.361516 (7.02299)
Comm  time (%) = 0.496529 (9.64583)
Outpt time (%) = 0.000954211 (0.018537)
Other time (%) = 0.466263 (9.05786)

Nlocal:    32000 ave 32038 max 31942 min
Histogram: 1 0 0 0 1 0 0 0 0 2
Nghost:    19629.8 ave 19675 max 19594 min
Histogram: 1 0 1 0 1 0 0 0 0 1
Neighs:    1.20282e+06 ave 1.20573e+06 max 1.20081e+06 min
Histogram: 2 0 0 0 0 1 0 0 0 1

Total # of neighbors = 4811274
Ave neighs/atom = 37.5881
Neighbor list builds = 5
Dangerous builds = 0
