log.7Jul09.lj.fixed.linux.1
8626f1cee6b6efficient_neuronet

log.7Jul09.lj.fixed.linux.1
View Options

			LAMMPS (7 Jul 2009)
			# 3d Lennard-Jones melt

			variable x index 1
			variable y index 1
			variable z index 1

			variable xx equal 20*$x
			variable xx equal 20*1
			variable yy equal 20*$y
			variable yy equal 20*1
			variable zz equal 20*$z
			variable zz equal 20*1

			units lj
			atom_style atomic

			lattice fcc 0.8442
			Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
			region box block 0 ${xx} 0 ${yy} 0 ${zz}
			region box block 0 20 0 ${yy} 0 ${zz}
			region box block 0 20 0 20 0 ${zz}
			region box block 0 20 0 20 0 20
			create_box 1 box
			Created orthogonal box = (0 0 0) to (33.5919 33.5919 33.5919)
			1 by 1 by 1 processor grid
			create_atoms 1 box
			Created 32000 atoms
			mass 1 1.0

			velocity all create 1.44 87287 loop geom

			pair_style lj/cut 2.5
			pair_coeff 1 1 1.0 1.0 2.5

			neighbor 0.3 bin
			neigh_modify delay 0 every 20 check no

			fix 1 all nve

			run 100
			Memory usage per processor = 11.5405 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 1.44 -6.7733681 0 -4.6134356 -5.0197073
			100 0.7574531 -5.7585055 0 -4.6223613 0.20726105
			Loop time of 4.30574 on 1 procs for 100 steps with 32000 atoms

			Pair time (%) = 3.70556 (86.0608)
			Neigh time (%) = 0.367506 (8.53526)
			Comm time (%) = 0.0611093 (1.41925)
			Outpt time (%) = 0.00022912 (0.00532127)
			Other time (%) = 0.17134 (3.97933)

			Nlocal: 32000 ave 32000 max 32000 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			Nghost: 19657 ave 19657 max 19657 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			Neighs: 1.20283e+06 ave 1.20283e+06 max 1.20283e+06 min
			Histogram: 1 0 0 0 0 0 0 0 0 0

			Total # of neighbors = 1202833
			Ave neighs/atom = 37.5885
			Neighbor list builds = 5
			Dangerous builds = 0