log.1Oct06.chain.lmp.fixed.linux.1
24de4ed57ba5lammm-master-deprecated

log.1Oct06.chain.lmp.fixed.linux.1
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			LAMMPS (1 Oct 2006)
			# FENE beadspring benchmark

			units lj
			atom_style bond
			special_bonds 0.0 1.0 1.0

			read_data data.chain
			1 = max bonds/atom
			1 by 1 by 1 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 = 8.45251 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 0.97029772 0.44484087 20.494523 22.394765 4.6721833
			100 0.97434451 0.439712 20.499596 22.400779 4.6558589
			Loop time of 7.46203 on 1 procs for 100 steps with 32000 atoms

			Pair time (%) = 2.27111 (30.4355)
			Bond time (%) = 0.614795 (8.23898)
			Neigh time (%) = 2.60854 (34.9576)
			Comm time (%) = 0.387562 (5.19379)
			Outpt time (%) = 0.00133 (0.0178236)
			Other time (%) = 1.57869 (21.1563)

			Nlocal: 32000 ave 32000 max 32000 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			Nghost: 9537 ave 9537 max 9537 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			Neighs: 155877 ave 155877 max 155877 min
			Histogram: 1 0 0 0 0 0 0 0 0 0

			Total # of neighbors = 155877
			Ave neighs/atom = 4.87116
			Ave special neighs/atom = 1.98
			Neighbor list builds = 25
			Dangerous builds = 0