LAMMPS (29 Jun 2012)
# 3d Lennard-Jones melt

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 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 MPI 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 5 every 1

fix		1 all nve

run		100
Memory usage per processor = 14.4474 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 2.56328 on 1 procs for 100 steps with 32000 atoms

Pair  time (%) = 1.93274 (75.4008)
Neigh time (%) = 0.53491 (20.8682)
Comm  time (%) = 0.0289466 (1.12928)
Outpt time (%) = 0.000109911 (0.0042879)
Other time (%) = 0.0665786 (2.5974)

Nlocal:    32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    19669 ave 19669 max 19669 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    1.20318e+06 ave 1.20318e+06 max 1.20318e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1203176
Ave neighs/atom = 37.5992
Neighbor list builds = 11
Dangerous builds = 0