log.5Oct07.eam.fixed.linux.4
befd8fee68bbmaster

log.5Oct07.eam.fixed.linux.4
View Options

			LAMMPS (5 Oct 2007)
			# 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 = 4.42085 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 1600 -113280 0 -106662.09 18703.573
			50 781.55267 -109870.85 0 -106638.19 52764.534
			100 805.29574 -109970.16 0 -106639.3 51178.427
			Loop time of 3.11047 on 4 procs for 100 steps with 32000 atoms

			Pair time (%) = 2.61131 (83.9521)
			Neigh time (%) = 0.222731 (7.1607)
			Comm time (%) = 0.20405 (6.56012)
			Outpt time (%) = 0.000865459 (0.0278241)
			Other time (%) = 0.0715173 (2.29925)

			Nlocal: 8000 ave 8023 max 7981 min
			Histogram: 2 0 0 0 0 0 0 1 0 1
			Nghost: 9130 ave 9150 max 9105 min
			Histogram: 1 0 1 0 0 0 0 0 0 2
			Neighs: 302142 ave 303202 max 300766 min
			Histogram: 1 0 0 0 1 0 0 0 1 1

			Total # of neighbors = 1208570
			Ave neighs/atom = 37.7678
			Neighbor list builds = 13
			Dangerous builds = 0