log.26Jun12.fene.4
e30420fc464flammps-icms

log.26Jun12.fene.4
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			LAMMPS (29 Jun 2012)
			# FENE beadspring benchmark

			units lj
			atom_style bond
			special_bonds fene

			read_data data.fene
			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 delay 5 every 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

			timestep 0.012

			run 100
			Memory usage per processor = 4.85535 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 0.97029772 0.44484087 20.494523 22.394765 4.6721833
			100 0.9736748 0.44378481 20.502389 22.40664 4.7809557
			Loop time of 0.242779 on 4 procs for 100 steps with 32000 atoms

			Pair time (%) = 0.0495595 (20.4134)
			Bond time (%) = 0.0221654 (9.12986)
			Neigh time (%) = 0.0930593 (38.3309)
			Comm time (%) = 0.019502 (8.03285)
			Outpt time (%) = 5.23329e-05 (0.0215558)
			Other time (%) = 0.0584403 (24.0714)

			Nlocal: 8000 ave 8023 max 7978 min
			Histogram: 1 0 0 0 1 1 0 0 0 1
			Nghost: 4158.75 ave 4175 max 4145 min
			Histogram: 1 0 1 0 0 0 1 0 0 1
			Neighs: 38940 ave 39184 max 38640 min
			Histogram: 1 0 0 0 0 1 1 0 0 1

			Total # of neighbors = 155760
			Ave neighs/atom = 4.8675
			Ave special neighs/atom = 1.98
			Neighbor list builds = 20
			Dangerous builds = 20