LAMMPS (27 Apr 2010)
# 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 2 by 2 processor grid
create_atoms	1 box
Created 32000 atoms
mass		1 1.0

velocity	all create 3.0 87287

pair_style	lj/cut/omp 2.5
pair_coeff	1 1 1.0 1.0 2.5

neighbor	0.3 bin
neigh_modify	every 20 delay 0 check no

fix		1 all nve

dump		id all atom 50 dump.melt

thermo		50
run		250
Memory usage per processor = 4.07636 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0            3   -6.7733681            0   -2.2735087   -3.7027964 
      50    1.6751964    -4.793906            0     -2.28119    5.6449888 
     100    1.6492395   -4.7543479            0   -2.2805659    5.8242183 
     150    1.6468325   -4.7503201            0   -2.2801485     5.857928 
     200      1.64095    -4.741475            0    -2.280127    5.8888655 
     250    1.6425393   -4.7441579            0   -2.2804259    5.8751067 
Loop time of 1.93913 on 4 procs for 250 steps with 32000 atoms

Pair  time (%) = 1.47562 (76.0972)
Neigh time (%) = 0.179442 (9.25373)
Comm  time (%) = 0.0962523 (4.96369)
Outpt time (%) = 0.150516 (7.76206)
Other time (%) = 0.0372962 (1.92335)

Nlocal:    8000 ave 8011 max 7981 min
Histogram: 1 0 0 0 0 0 0 2 0 1
Nghost:    8616 ave 8628 max 8605 min
Histogram: 1 1 0 0 0 0 0 1 0 1
Neighs:    303098 ave 306712 max 300441 min
Histogram: 1 0 1 0 1 0 0 0 0 1

Total # of neighbors = 1212392
Ave neighs/atom = 37.8873
Neighbor list builds = 12
Dangerous builds = 0