log.9Jan12.chain.fixed.linux.4
be352c7ff761lammps-icms

log.9Jan12.chain.fixed.linux.4
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			LAMMPS (10 Jan 2012)
			# FENE beadspring benchmark

			units lj
			atom_style bond
			special_bonds fene

			read_data data.chain
			1 = max bonds/atom
			orthogonal box = (-16.796 -16.796 -16.796) to (16.796 16.796 16.796)
			1 by 2 by 2 MPI 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 = 4.80505 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 0.97029772 0.44484087 20.494523 22.394765 4.6721833
			100 0.97145835 0.43803883 20.502691 22.397872 4.626988
			Loop time of 0.277092 on 4 procs for 100 steps with 32000 atoms

			Pair time (%) = 0.0511394 (18.4557)
			Bond time (%) = 0.030314 (10.94)
			Neigh time (%) = 0.112937 (40.7578)
			Comm time (%) = 0.0222602 (8.03351)
			Outpt time (%) = 6.1214e-05 (0.0220915)
			Other time (%) = 0.0603806 (21.7908)

			Nlocal: 8000 ave 8030 max 7974 min
			Histogram: 1 0 0 1 0 1 0 0 0 1
			Nghost: 4177 ave 4191 max 4160 min
			Histogram: 1 0 0 0 1 0 0 1 0 1
			Neighs: 38995.8 ave 39169 max 38852 min
			Histogram: 1 0 0 1 1 0 0 0 0 1

			Total # of neighbors = 155983
			Ave neighs/atom = 4.87447
			Ave special neighs/atom = 1.98
			Neighbor list builds = 25
			Dangerous builds = 0