log.eim.9Jan12.linux.4
be352c7ff761lammps-icms

log.eim.9Jan12.linux.4
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			LAMMPS (10 Jan 2012)
			# NaCl test problem for embedded atom method (EIM) potential

			units metal
			atom_style atomic

			boundary p p p

			lattice diamond 5.0
			Lattice spacing in x,y,z = 5 5 5
			read_data data.eim
			orthogonal box = (-0.5 -0.5 -0.5) to (35.54 35.54 35.54)
			1 by 2 by 2 MPI processor grid
			2000 atoms
			2000 velocities

			pair_style eim
			pair_coeff * * Na Cl ffield.eim Na Cl

			neighbor 0.3 bin
			neigh_modify delay 0

			timestep 0.001
			thermo_style custom step pe pxx pyy pzz temp
			thermo 50

			velocity all create 1400.0 43454 dist gaussian mom yes
			fix int all npt temp 1400.0 300.0 0.1 aniso 0.0 0.0 0.1

			run 100
			Memory usage per processor = 1.87326 Mbytes
			Step PotEng Pxx Pyy Pzz Temp
			0 -5660.4738 -118151.29 -117613.39 -118064.41 1400
			50 -5774.4337 865.73356 874.29837 679.99459 888.89401
			100 -5752.6028 652.10345 601.94922 670.57848 780.52664
			Loop time of 0.324442 on 4 procs for 100 steps with 2000 atoms

			Pair time (%) = 0.275492 (84.9125)
			Neigh time (%) = 0.0300437 (9.26011)
			Comm time (%) = 0.0126455 (3.89763)
			Outpt time (%) = 5.33462e-05 (0.0164424)
			Other time (%) = 0.00620759 (1.91331)

			Nlocal: 500 ave 500 max 500 min
			Histogram: 4 0 0 0 0 0 0 0 0 0
			Nghost: 2149.75 ave 2152 max 2148 min
			Histogram: 2 0 0 0 0 0 0 1 0 1
			Neighs: 24968.8 ave 25028 max 24876 min
			Histogram: 1 0 0 0 0 0 1 1 0 1

			Total # of neighbors = 99875
			Ave neighs/atom = 49.9375
			Neighbor list builds = 30
			Dangerous builds = 10