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 2 by 2 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 = 4.61801 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 0.720234 on 4 procs for 100 steps with 32000 atoms

Pair  time (%) = 0.515158 (71.5264)
Neigh time (%) = 0.143012 (19.8563)
Comm  time (%) = 0.0423787 (5.88401)
Outpt time (%) = 0.000118494 (0.0164522)
Other time (%) = 0.0195675 (2.71682)

Nlocal:    8000 ave 8041 max 7958 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost:    9011 ave 9065 max 8961 min
Histogram: 1 1 0 0 0 0 0 1 0 1
Neighs:    300794 ave 304843 max 297317 min
Histogram: 1 0 0 1 1 0 0 0 0 1

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