log.21May08.eam.fixed.linux.4
01f7381bc1adlammm-master-deprecated

log.21May08.eam.fixed.linux.4
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			LAMMPS (21 May 2008)
			# bulk Cu lattice

			variable x index 20
			variable y index 20
			variable z index 20

			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 $x 0 $y 0 $z
			region box block 0 20 0 $y 0 $z
			region box block 0 20 0 20 0 $z
			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 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 every 1 delay 5 check yes

			fix 1 all nve

			timestep 0.005
			thermo 50

			run 100
			Memory usage per processor = 4.30641 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 1600 -113280 0 -106662.09 18703.573
			50 781.69049 -109873.35 0 -106640.13 52273.088
			100 801.832 -109957.3 0 -106640.77 51322.821
			Loop time of 3.02608 on 4 procs for 100 steps with 32000 atoms

			Pair time (%) = 2.56269 (84.6868)
			Neigh time (%) = 0.220453 (7.2851)
			Comm time (%) = 0.187758 (6.20467)
			Outpt time (%) = 0.00119197 (0.0393901)
			Other time (%) = 0.0539875 (1.78408)

			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