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 1 by 1 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 = 12.8375 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 4.11023 on 1 procs for 100 steps with 32000 atoms

Pair  time (%) = 3.54178 (86.1699)
Neigh time (%) = 0.351553 (8.55311)
Comm  time (%) = 0.0573781 (1.39598)
Outpt time (%) = 0.000291109 (0.00708254)
Other time (%) = 0.159229 (3.87395)

Nlocal:    32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    19665 ave 19665 max 19665 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    1.20232e+06 ave 1.20232e+06 max 1.20232e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

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