log.melt.22Jan08.linux.1
fd0e404679calammm-master-deprecated

log.melt.22Jan08.linux.1
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			LAMMPS (22 Jan 2008)
			# 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 1 by 1 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

			thermo 50
			run 250
			Memory usage per processor = 2.19355 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 3 -6.7733681 0 -2.2744931 -3.7033504
			50 1.6758903 -4.7955425 0 -2.2823355 5.670064
			100 1.6458363 -4.7492704 0 -2.2811332 5.8691042
			150 1.6324555 -4.7286791 0 -2.280608 5.9589514
			200 1.6630725 -4.7750988 0 -2.2811136 5.7364886
			250 1.6275257 -4.7224992 0 -2.281821 5.9567365
			Loop time of 1.26243 on 1 procs for 250 steps with 4000 atoms

			Pair time (%) = 1.06787 (84.5881)
			Neigh time (%) = 0.11483 (9.0959)
			Comm time (%) = 0.020905 (1.65593)
			Outpt time (%) = 0.028095 (2.22547)
			Other time (%) = 0.0307348 (2.43457)

			Nlocal: 4000 ave 4000 max 4000 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			Nghost: 5499 ave 5499 max 5499 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			Neighs: 151513 ave 151513 max 151513 min
			Histogram: 1 0 0 0 0 0 0 0 0 0

			Total # of neighbors = 151513
			Ave neighs/atom = 37.8783
			Neighbor list builds = 12
			Dangerous builds = 0