LAMMPS (29 Jun 2012)
# bulk Ni in ADP

units		metal
atom_style	atomic

lattice		fcc 3.52
Lattice spacing in x,y,z = 3.52 3.52 3.52
region		box block 0 20 0 20 0 20
create_box	1 box
Created orthogonal box = (0 0 0) to (70.4 70.4 70.4)
  1 by 1 by 1 MPI processor grid
create_atoms	1 box
Created 32000 atoms

pair_style	adp
pair_coeff	* * Ni.adp Ni

velocity	all create 1600.0 376847 loop geom

neighbor	1.0 bin
neigh_modify    delay 5 every 1

fix		1 all nve

timestep	0.005

run		100
Memory usage per processor = 25.3022 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0         1600      -142400            0   -135782.09    20259.105 
     100    793.05485   -139023.13            0    -135742.9    32175.694 
Loop time of 17.8688 on 1 procs for 100 steps with 32000 atoms

Pair  time (%) = 17.078 (95.5745)
Neigh time (%) = 0.677115 (3.78937)
Comm  time (%) = 0.0346231 (0.193763)
Outpt time (%) = 0.000118971 (0.000665802)
Other time (%) = 0.0789182 (0.441653)

Nlocal:    32000 ave 32000 max 32000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    19911 ave 19911 max 19911 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    1.33704e+06 ave 1.33704e+06 max 1.33704e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 1337035
Ave neighs/atom = 41.7823
Neighbor list builds = 13
Dangerous builds = 0

