log.melt-4m-2t
f5c129ffbc08lammm-devel

log.melt-4m-2t
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			LAMMPS (5 Jun 2010-ICMS)
			# 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 processor grid
			using 2 OpenMP thread(s) per MPI task
			create_atoms 1 box
			Created 32000 atoms
			mass 1 1.0

			velocity all create 3.0 87287

			pair_style lj/cut/omp 2.5
			pair_coeff 1 1 1.0 1.0 2.5

			neighbor 0.3 bin
			neigh_modify every 20 delay 0 check no

			fix 1 all nve

			dump id all atom 50 dump.melt

			thermo 50
			#run_test
			run 250
			Memory usage per processor = 4.07687 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 3 -6.7733681 0 -2.2735087 -3.7027964
			50 1.6751946 -4.7939075 0 -2.2811941 5.6449815
			100 1.6492389 -4.7543515 0 -2.2805704 5.824344
			150 1.6468401 -4.7503387 0 -2.2801557 5.8578697
			200 1.6409583 -4.7414961 0 -2.2801355 5.8887906
			250 1.6426531 -4.7443235 0 -2.2804209 5.8747168
			Loop time of 2.90922 on 4 procs / 2 threads for 250 steps with 32000 atoms

			Pair time (%) = 1.37323 (47.2025)
			Neigh time (%) = 0.281199 (9.66578)
			Comm time (%) = 0.625391 (21.4969)
			Outpt time (%) = 0.560158 (19.2546)
			Other time (%) = 0.0692462 (2.38023)

			Nlocal: 8000 ave 8011 max 7980 min
			Histogram: 1 0 0 0 0 0 0 1 1 1
			Nghost: 8615.25 ave 8628 max 8604 min
			Histogram: 1 0 1 0 0 0 1 0 0 1
			Neighs: 303099 ave 306704 max 300447 min
			Histogram: 1 0 1 0 1 0 0 0 0 1

			Total # of neighbors = 1212395
			Ave neighs/atom = 37.8873
			Neighbor list builds = 12
			Dangerous builds = 0
			#run_test