log.21May08.eam.fixed.linux.1
81c6c65428bfefficient_neuronet

log.21May08.eam.fixed.linux.1
View Options

			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 1 by 1 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 = 13.3815 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 11.5348 on 1 procs for 100 steps with 32000 atoms

			Pair time (%) = 10.3725 (89.923)
			Neigh time (%) = 0.881469 (7.64181)
			Comm time (%) = 0.0726771 (0.630067)
			Outpt time (%) = 0.000422001 (0.00365849)
			Other time (%) = 0.207795 (1.80146)

			Nlocal: 32000 ave 32000 max 32000 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			Nghost: 19909 ave 19909 max 19909 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			Neighs: 1.20778e+06 ave 1.20778e+06 max 1.20778e+06 min
			Histogram: 1 0 0 0 0 0 0 0 0 0

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