log.21May08.eam.scaled.linux.4
31dd4cc6a6e5lammps-icms

log.21May08.eam.scaled.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 40 0 $y 0 $z
			region box block 0 40 0 40 0 $z
			region box block 0 40 0 40 0 20
			create_box 1 box
			Created orthogonal box = (0 0 0) to (144.6 144.6 72.3)
			2 by 2 by 1 processor grid
			create_atoms 1 box
			Created 128000 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 = 13.2978 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 1600 -453120 0 -426647.73 18704.012
			50 779.50001 -439457.02 0 -426560.06 52355.276
			100 797.97828 -439764.76 0 -426562.07 51474.74
			Loop time of 12.4201 on 4 procs for 100 steps with 128000 atoms

			Pair time (%) = 10.5786 (85.1733)
			Neigh time (%) = 0.973493 (7.83806)
			Comm time (%) = 0.395326 (3.18296)
			Outpt time (%) = 0.00140321 (0.0112979)
			Other time (%) = 0.47126 (3.79434)

			Nlocal: 32000 ave 32092 max 31914 min
			Histogram: 1 0 0 1 0 1 0 0 0 1
			Nghost: 19910 ave 19997 max 19818 min
			Histogram: 1 0 0 0 1 0 1 0 0 1
			Neighs: 1.20728e+06 ave 1.21142e+06 max 1.2036e+06 min
			Histogram: 1 0 0 1 1 0 0 0 0 1

			Total # of neighbors = 4829126
			Ave neighs/atom = 37.7275
			Neighbor list builds = 14
			Dangerous builds = 0