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 2 by 2 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 = 8.14011 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 4.95441 on 4 procs for 100 steps with 32000 atoms

Pair  time (%) = 4.6421 (93.6964)
Neigh time (%) = 0.176992 (3.57242)
Comm  time (%) = 0.110454 (2.22941)
Outpt time (%) = 7.62939e-05 (0.00153992)
Other time (%) = 0.0247837 (0.500235)

Nlocal:    8000 ave 8044 max 7960 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Nghost:    9131 ave 9171 max 9087 min
Histogram: 1 0 0 0 1 0 1 0 0 1
Neighs:    334259 ave 336108 max 332347 min
Histogram: 1 0 0 1 0 0 1 0 0 1

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

