log.1Oct06.eam.lmp.fixed.liberty.8
37e7d24e27c6lammm-master

log.1Oct06.eam.lmp.fixed.liberty.8
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			LAMMPS (1 Oct 2006)
			# bulk Cu lattice

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

			units metal
			atom_style atomic

			lattice fcc 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 box = (0 0 0) to (72.3 72.3 72.3)
			2 by 2 by 2 processor grid
			create_atoms 1
			Created 32000 atoms

			pair_style eam
			pair_coeff 1 1 cuu3.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 = 2.51765 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 1600 -113280 0 -106662.35 18700.769
			50 781.34228 -109870.68 0 -106639.02 52610.512
			100 792.17919 -109916.28 0 -106639.81 51732.452
			Loop time of 2.76732 on 8 procs for 100 steps with 32000 atoms

			Pair time (%) = 2.17097 (78.4503)
			Neigh time (%) = 0.18389 (6.64505)
			Comm time (%) = 0.337954 (12.2123)
			Outpt time (%) = 0.000817209 (0.0295307)
			Other time (%) = 0.0736872 (2.66277)

			Nlocal: 4000 ave 4026 max 3981 min
			Histogram: 1 1 0 2 1 2 0 0 0 1
			Nghost: 5840.62 ave 5860 max 5815 min
			Histogram: 1 0 0 0 3 0 2 0 1 1
			Neighs: 151237 ave 152083 max 150650 min
			Histogram: 2 1 0 0 3 0 1 0 0 1

			Total # of neighbors = 1209898
			Ave neighs/atom = 37.8093
			Neighbor list builds = 13
			Dangerous builds = 0