log.26Jun12.lj.4
6f66e6c45445lammm-devel

log.26Jun12.lj.4
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			LAMMPS (29 Jun 2012)
			# 3d Lennard-Jones melt

			units lj
			atom_style atomic

			lattice fcc 0.8442
			Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
			region box block 0 20 0 20 0 20
			create_box 1 box
			Created orthogonal box = (0 0 0) to (33.5919 33.5919 33.5919)
			1 by 2 by 2 MPI processor grid
			create_atoms 1 box
			Created 32000 atoms
			mass 1 1.0

			velocity all create 1.44 87287 loop geom

			pair_style lj/cut 2.5
			pair_coeff 1 1 1.0 1.0 2.5

			neighbor 0.3 bin
			neigh_modify delay 5 every 1

			fix 1 all nve

			run 100
			Memory usage per processor = 4.61801 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 1.44 -6.7733681 0 -4.6134356 -5.0197073
			100 0.75745998 -5.7584998 0 -4.6223453 0.20729996
			Loop time of 0.720234 on 4 procs for 100 steps with 32000 atoms

			Pair time (%) = 0.515158 (71.5264)
			Neigh time (%) = 0.143012 (19.8563)
			Comm time (%) = 0.0423787 (5.88401)
			Outpt time (%) = 0.000118494 (0.0164522)
			Other time (%) = 0.0195675 (2.71682)

			Nlocal: 8000 ave 8041 max 7958 min
			Histogram: 2 0 0 0 0 0 0 0 0 2
			Nghost: 9011 ave 9065 max 8961 min
			Histogram: 1 1 0 0 0 0 0 1 0 1
			Neighs: 300794 ave 304843 max 297317 min
			Histogram: 1 0 0 1 1 0 0 0 0 1

			Total # of neighbors = 1203176
			Ave neighs/atom = 37.5992
			Neighbor list builds = 11
			Dangerous builds = 0