log.26Jun12.adp.1
f3404420e445lammm-devel

log.26Jun12.adp.1
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			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