log.melt.linux.4
1ca6fb0f8160lammm-devel

log.melt.linux.4
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			LAMMPS (18 Feb 2013)
			# 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 10 0 10 0 10
			create_box 1 box
			Created orthogonal box = (0 0 0) to (16.796 16.796 16.796)
			1 by 2 by 2 MPI processor grid
			create_atoms 1 box
			Created 4000 atoms
			mass 1 1.0

			velocity all create 3.0 87287

			pair_style lj/cut 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

			#dump 1 all image 25 image.*.jpg type type # axes yes 0.8 0.02 view 60 -30
			#dump_modify 1 pad 3

			thermo 50
			run 250
			Memory usage per processor = 1.89067 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 3 -6.7733681 0 -2.2744931 -3.7033504
			50 1.6754119 -4.7947589 0 -2.2822693 5.6615925
			100 1.6503357 -4.756014 0 -2.2811293 5.8050524
			150 1.6596605 -4.7699432 0 -2.2810749 5.7830138
			200 1.6371874 -4.7365462 0 -2.2813789 5.9246674
			250 1.6323462 -4.7292021 0 -2.2812949 5.9762238
			Loop time of 0.214934 on 4 procs for 250 steps with 4000 atoms

			Pair time (%) = 0.159902 (74.3957)
			Neigh time (%) = 0.021036 (9.78721)
			Comm time (%) = 0.0281214 (13.0837)
			Outpt time (%) = 0.000122249 (0.0568775)
			Other time (%) = 0.00575262 (2.67646)

			Nlocal: 1000 ave 1010 max 982 min
			Histogram: 1 0 0 0 0 0 1 0 0 2
			Nghost: 2703.75 ave 2713 max 2689 min
			Histogram: 1 0 0 0 0 0 0 2 0 1
			Neighs: 37915.5 ave 39239 max 36193 min
			Histogram: 1 0 0 0 0 1 1 0 0 1

			Total # of neighbors = 151662
			Ave neighs/atom = 37.9155
			Neighbor list builds = 12
			Dangerous builds = 0