log.sw.4
a2b4a794d9a2lammm-master-deprecated

log.sw.4
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			LAMMPS (23 Sep 2010)
			# 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)
			2 by 2 by 1 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 = 3.5056 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 4.86944 on 4 procs for 100 steps with 32000 atoms

			Pair time (%) = 4.64027 (95.2937)
			Neigh time (%) = 0.030766 (0.631819)
			Comm time (%) = 0.15997 (3.28519)
			Outpt time (%) = 0.000100672 (0.00206743)
			Other time (%) = 0.0383311 (0.787177)

			Nlocal: 8000 ave 8015 max 7978 min
			Histogram: 1 0 0 0 0 0 1 1 0 1
			Nghost: 4995 ave 5017 max 4980 min
			Histogram: 1 0 1 1 0 0 0 0 0 1
			Neighs: 0 ave 0 max 0 min
			Histogram: 4 0 0 0 0 0 0 0 0 0
			FullNghs: 223704 ave 224108 max 223131 min
			Histogram: 1 0 0 0 0 0 1 1 0 1

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