log.26Jun12.lj.1
d1bbe9546c02lammm-devel

log.26Jun12.lj.1
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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 1 by 1 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 = 14.4474 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 2.56328 on 1 procs for 100 steps with 32000 atoms

			Pair time (%) = 1.93274 (75.4008)
			Neigh time (%) = 0.53491 (20.8682)
			Comm time (%) = 0.0289466 (1.12928)
			Outpt time (%) = 0.000109911 (0.0042879)
			Other time (%) = 0.0665786 (2.5974)

			Nlocal: 32000 ave 32000 max 32000 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			Nghost: 19669 ave 19669 max 19669 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			Neighs: 1.20318e+06 ave 1.20318e+06 max 1.20318e+06 min
			Histogram: 1 0 0 0 0 0 0 0 0 0

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