log.26Jun12.eam.4
3c59b58794a8lammps-icms

log.26Jun12.eam.4
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			LAMMPS (29 Jun 2012)
			# bulk Cu in EAM

			units metal
			atom_style atomic

			lattice fcc 3.615
			Lattice spacing in x,y,z = 3.615 3.615 3.615
			region box block 0 20 0 20 0 20
			create_box 1 box
			Created orthogonal box = (0 0 0) to (72.3 72.3 72.3)
			1 by 2 by 2 MPI processor grid
			create_atoms 1 box
			Created 32000 atoms

			pair_style eam
			pair_coeff 1 1 Cu_u3.eam

			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

			run 100
			Memory usage per processor = 4.92442 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 1600 -113280 0 -106662.09 18703.573
			100 801.832 -109957.3 0 -106640.77 51322.821
			Loop time of 1.56165 on 4 procs for 100 steps with 32000 atoms

			Pair time (%) = 1.35187 (86.5672)
			Neigh time (%) = 0.153887 (9.85413)
			Comm time (%) = 0.0361158 (2.31267)
			Outpt time (%) = 6.85453e-05 (0.0043893)
			Other time (%) = 0.0197011 (1.26156)

			Nlocal: 8000 ave 8008 max 7993 min
			Histogram: 2 0 0 0 0 0 0 0 1 1
			Nghost: 9130.25 ave 9138 max 9122 min
			Histogram: 2 0 0 0 0 0 0 0 0 2
			Neighs: 301946 ave 302392 max 301360 min
			Histogram: 1 0 0 0 1 0 0 0 1 1

			Total # of neighbors = 1207784
			Ave neighs/atom = 37.7433
			Neighbor list builds = 13
			Dangerous builds = 0