log.fene.4
8bbd2fc60ed5lammm-master-deprecated

log.fene.4
View Options

			LAMMPS (23 Sep 2010)
			# 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 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 = 3.56846 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 0.415929 on 4 procs for 100 steps with 32000 atoms

			Pair time (%) = 0.0850564 (20.4497)
			Bond time (%) = 0.0594099 (14.2837)
			Neigh time (%) = 0.129785 (31.2037)
			Comm time (%) = 0.0541852 (13.0275)
			Outpt time (%) = 0.000109792 (0.0263968)
			Other time (%) = 0.0873827 (21.0091)

			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