log.26Jun12.sw.1
e7e5ba4e4688lammps-icms

log.26Jun12.sw.1
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			LAMMPS (29 Jun 2012)
			# bulk Si via Stillinger-Weber

			units metal
			atom_style atomic

			lattice diamond 5.431
			Lattice spacing in x,y,z = 5.431 5.431 5.431
			region box block 0 20 0 20 0 10
			create_box 1 box
			Created orthogonal box = (0 0 0) to (108.62 108.62 54.31)
			1 by 1 by 1 MPI processor grid
			create_atoms 1 box
			Created 32000 atoms

			pair_style sw
			pair_coeff * * Si.sw Si
			mass 1 28.06

			velocity all create 1000.0 376847 loop geom

			neighbor 1.0 bin
			neigh_modify delay 5 every 1

			fix 1 all nve

			timestep 0.001

			run 100
			Memory usage per processor = 12.3488 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 1000 -138771.2 0 -134635 6866.6499
			100 508.80533 -136736.12 0 -134631.6 6361.7858
			Loop time of 10.501 on 1 procs for 100 steps with 32000 atoms

			Pair time (%) = 10.3268 (98.3417)
			Neigh time (%) = 0.0839791 (0.799726)
			Comm time (%) = 0.015074 (0.143549)
			Outpt time (%) = 0.00010705 (0.00101943)
			Other time (%) = 0.0749753 (0.713983)

			Nlocal: 32000 ave 32000 max 32000 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			Nghost: 12495 ave 12495 max 12495 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			Neighs: 0 ave 0 max 0 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			FullNghs: 894818 ave 894818 max 894818 min
			Histogram: 1 0 0 0 0 0 0 0 0 0

			Total # of neighbors = 894818
			Ave neighs/atom = 27.9631
			Neighbor list builds = 2
			Dangerous builds = 0