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

log.26Jun12.meam.4
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			LAMMPS (29 Jun 2012)
			# bulk Ni in MEAM

			units metal
			atom_style atomic

			lattice fcc 3.52
			Lattice spacing in x,y,z = 3.52 3.52 3.52
			region box block 0 20 0 20 0 20
			create_box 1 box
			Created orthogonal box = (0 0 0) to (70.4 70.4 70.4)
			1 by 2 by 2 MPI processor grid
			create_atoms 1 box
			Created 32000 atoms

			pair_style meam
			pair_coeff * * library.meam Ni4 Ni.meam Ni4

			velocity all create 1600.0 376847 loop geom

			neighbor 1.0 bin
			neigh_modify delay 5 every 1

			fix 1 all nve

			timestep 0.005
			thermo 50

			run 100
			Memory usage per processor = 18.4054 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 1600 -142400 0 -135782.09 20259.18
			50 885.10702 -139411.51 0 -135750.54 32425.433
			100 895.5097 -139454.3 0 -135750.3 31804.187
			Loop time of 11.2927 on 4 procs for 100 steps with 32000 atoms

			Pair time (%) = 10.9598 (97.0519)
			Neigh time (%) = 0.155562 (1.37754)
			Comm time (%) = 0.149276 (1.32188)
			Outpt time (%) = 0.000140548 (0.00124459)
			Other time (%) = 0.0279386 (0.247404)

			Nlocal: 8000 ave 8045 max 7947 min
			Histogram: 1 0 0 1 0 0 0 1 0 1
			Nghost: 6066.75 ave 6120 max 6021 min
			Histogram: 1 0 1 0 0 0 1 0 0 1
			Neighs: 195090 ave 196403 max 193697 min
			Histogram: 1 0 0 1 0 0 0 1 0 1
			FullNghs: 390180 ave 392616 max 387490 min
			Histogram: 1 0 0 1 0 0 0 1 0 1

			Total # of neighbors = 1560720
			Ave neighs/atom = 48.7725
			Neighbor list builds = 8
			Dangerous builds = 0