LAMMPS (15 Jan 2010)
# bulk Cu lattice

variable	x index 1
variable	y index 1
variable	z index 1

variable	xx equal 20*$x
variable	xx equal 20*2
variable	yy equal 20*$y
variable	yy equal 20*2
variable	zz equal 20*$z
variable	zz equal 20*1

units		metal
atom_style	atomic

lattice		fcc 3.615
Lattice spacing in x,y,z = 3.615 3.615 3.615
region		box block 0 ${xx} 0 ${yy} 0 ${zz}
region		box block 0 40 0 ${yy} 0 ${zz}
region		box block 0 40 0 40 0 ${zz}
region		box block 0 40 0 40 0 20
create_box	1 box
Created orthogonal box = (0 0 0) to (144.6 144.6 72.3)
  2 by 2 by 1 processor grid
create_atoms	1 box
Created 128000 atoms

pair_style	eam
pair_coeff	1 1 Cu_u3.eam

velocity	all create 1600.0 376847 loop geom

neighbor	1.0 bin
neigh_modify    every 1 delay 5 check yes

fix		1 all nve

timestep	0.005
thermo		50

run		100
Memory usage per processor = 13.2978 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0         1600      -453120            0   -426647.73    18704.012 
      50    779.50001   -439457.02            0   -426560.06    52355.276 
     100    797.97828   -439764.76            0   -426562.07     51474.74 
Loop time of 12.2389 on 4 procs for 100 steps with 128000 atoms

Pair  time (%) = 10.4368 (85.2756)
Neigh time (%) = 0.957641 (7.82459)
Comm  time (%) = 0.379168 (3.09807)
Outpt time (%) = 0.00148249 (0.0121129)
Other time (%) = 0.463806 (3.78962)

Nlocal:    32000 ave 32092 max 31914 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Nghost:    19910 ave 19997 max 19818 min
Histogram: 1 0 0 0 1 0 1 0 0 1
Neighs:    1.20728e+06 ave 1.21142e+06 max 1.2036e+06 min
Histogram: 1 0 0 1 1 0 0 0 0 1

Total # of neighbors = 4829126
Ave neighs/atom = 37.7275
Neighbor list builds = 14
Dangerous builds = 0
