LAMMPS (7 Jan 2012)
  using 4 OpenMP thread(s) per MPI task
package gpu force 0 0 1
variable	x index 1
variable	y index 1
variable	z index 1

variable	xx equal 10*$x
variable	xx equal 10*1
variable	yy equal 10*$y
variable	yy equal 10*1
variable	zz equal 10*$z
variable	zz equal 10*1

units		lj
atom_style	atomic
newton      off
lattice		fcc 0.8442
Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
region		box block 0 ${xx} 0 ${yy} 0 ${zz}
region		box block 0 10 0 ${yy} 0 ${zz}
region		box block 0 10 0 10 0 ${zz}
region		box block 0 10 0 10 0 10
create_box	1 box
Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
  1 by 1 by 3 MPI processor grid
create_atoms	1 box
Created 4000 atoms
mass		1 1.0

velocity	all create 1.44 817047 loop geom

pair_style  buck/gpu 3.0
pair_coeff	1 1 25.0 2.0 1.0

neighbor	0.3 bin
neigh_modify	delay 0 every 20 check no

fix		1 all nve

timestep 0.001
thermo   10
run	100
Memory usage per processor = 4.35871 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0         1.44    368.57615            0    370.73561    104.08099 
      10    1.4548218    368.55393            0    370.73561    104.07856 
      20    1.4999131    368.42078            0    370.67009    104.04317 
      30    1.5726123     367.6495            0    370.00783    103.74638 
      40    1.6544249    368.39545            0    370.87646    104.06928 
      50     1.722881     371.3936            0    373.97728    105.28712 
      60    1.7783987    375.35637            0     378.0233    106.84887 
      70    1.8362262    379.23623            0    381.98988    108.31879 
      80    1.9169295    382.35678            0    385.23145    109.41401 
      90    2.0456292    384.59392            0     387.6616    110.06478 
     100    2.2828618    385.96025            0    389.38369    110.21095 
Loop time of 0.105449 on 12 procs (3 MPI x 4 OpenMP) for 100 steps with 4000 atoms

Pair  time (%) = 0.0377374 (35.7872)
Neigh time (%) = 0.0440886 (41.8102)
Comm  time (%) = 0.0176921 (16.7778)
Outpt time (%) = 0.00322501 (3.05835)
Other time (%) = 0.00270621 (2.56636)

Nlocal:    1333.33 ave 1400 max 1293 min
Histogram: 1 1 0 0 0 0 0 0 0 1
Nghost:    4257 ave 4345 max 4183 min
Histogram: 1 0 0 1 0 0 0 0 0 1
Neighs:    0 ave 0 max 0 min
Histogram: 3 0 0 0 0 0 0 0 0 0
FullNghs: 170905 ave 179408 max 165388 min
Histogram: 1 1 0 0 0 0 0 0 0 1

Total # of neighbors = 512714
Ave neighs/atom = 128.179
Neighbor list builds = 5
Dangerous builds = 0