log.tersoff.4
8bbd2fc60ed5lammm-master-deprecated

log.tersoff.4
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			LAMMPS (23 Sep 2010)
			# bulk Si via Tersoff

			units metal
			atom_style atomic

			lattice diamond 5.431
			Lattice spacing in x,y,z = 5.431 5.431 5.431
			region box block 0 20 0 20 0 10
			create_box 1 box
			Created orthogonal box = (0 0 0) to (108.62 108.62 54.31)
			2 by 2 by 1 processor grid
			create_atoms 1 box
			Created 32000 atoms

			pair_style tersoff
			pair_coeff * * Si.tersoff Si
			mass 1 28.06

			velocity all create 1000.0 376847 loop geom

			neighbor 1.0 bin
			neigh_modify delay 5 every 1

			fix 1 all nve

			timestep 0.001

			run 100
			Memory usage per processor = 3.1554 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 1000 -148173.19 0 -144036.99 7019.4434
			100 430.57813 -145815.61 0 -144034.65 -14550.734
			Loop time of 4.69221 on 4 procs for 100 steps with 32000 atoms

			Pair time (%) = 4.58022 (97.6133)
			Neigh time (%) = 0.0261766 (0.557873)
			Comm time (%) = 0.0492402 (1.0494)
			Outpt time (%) = 0.000155568 (0.00331545)
			Other time (%) = 0.0364159 (0.776092)

			Nlocal: 8000 ave 8005 max 7993 min
			Histogram: 1 0 0 0 0 1 0 1 0 1
			Nghost: 4580.25 ave 4593 max 4567 min
			Histogram: 1 0 0 1 0 0 0 1 0 1
			Neighs: 0 ave 0 max 0 min
			Histogram: 4 0 0 0 0 0 0 0 0 0
			FullNghs: 132625 ave 132785 max 132562 min
			Histogram: 2 1 0 0 0 0 0 0 0 1

			Total # of neighbors = 530500
			Ave neighs/atom = 16.5781
			Neighbor list builds = 2
			Dangerous builds = 0