log.26Jun12.meam.1
f3404420e445lammps-icms

log.26Jun12.meam.1
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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 1 by 1 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 = 56.0952 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 42.1683 on 1 procs for 100 steps with 32000 atoms

			Pair time (%) = 41.4542 (98.3066)
			Neigh time (%) = 0.597845 (1.41776)
			Comm time (%) = 0.0312274 (0.0740541)
			Outpt time (%) = 0.000230074 (0.000545609)
			Other time (%) = 0.084774 (0.201037)

			Nlocal: 32000 ave 32000 max 32000 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			Nghost: 13576 ave 13576 max 13576 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			Neighs: 780360 ave 780360 max 780360 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			FullNghs: 1.56072e+06 ave 1.56072e+06 max 1.56072e+06 min
			Histogram: 1 0 0 0 0 0 0 0 0 0

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