log.22Jun07.chain.fixed.liberty.8
ac05614434barunner

log.22Jun07.chain.fixed.liberty.8
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			LAMMPS (22 June 2007)
			# FENE beadspring benchmark

			units lj
			atom_style bond
			special_bonds 0.0 1.0 1.0

			read_data data.chain
			1 = max bonds/atom
			orthogonal box = (-16.796 -16.796 -16.796) to (16.796 16.796 16.796)
			2 by 2 by 2 processor grid
			32000 atoms
			32000 velocities
			31680 bonds
			2 = max # of 1-2 neighbors
			2 = max # of special neighbors

			neighbor 0.4 bin
			neigh_modify every 1 delay 1

			bond_style fene
			bond_coeff 1 30.0 1.5 1.0 1.0

			pair_style lj/cut 1.12
			pair_modify shift yes
			pair_coeff 1 1 1.0 1.0 1.12

			fix 1 all nve
			fix 2 all langevin 1.0 1.0 10.0 904297

			thermo 100
			timestep 0.012

			run 100
			Memory usage per processor = 2.62762 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 0.97029772 0.44484087 20.494523 22.394765 4.6721833
			100 0.97000691 0.44751221 20.498199 22.400676 4.7159344
			Loop time of 0.559036 on 8 procs for 100 steps with 32000 atoms

			Pair time (%) = 0.0874849 (15.6492)
			Bond time (%) = 0.0473607 (8.47185)
			Neigh time (%) = 0.138014 (24.6879)
			Comm time (%) = 0.167274 (29.9218)
			Outpt time (%) = 0.000471383 (0.0843207)
			Other time (%) = 0.118431 (21.1848)

			Nlocal: 4000 ave 4029 max 3985 min
			Histogram: 2 0 2 1 2 0 0 0 0 1
			Nghost: 2592.25 ave 2602 max 2566 min
			Histogram: 1 0 0 0 0 1 1 1 0 4
			Neighs: 19477.4 ave 19776 max 19279 min
			Histogram: 1 2 2 0 0 0 1 1 0 1

			Total # of neighbors = 155819
			Ave neighs/atom = 4.86934
			Ave special neighs/atom = 1.98
			Neighbor list builds = 25
			Dangerous builds = 0