log.adp.4
60e58c44cf1fefficient_neuronet

log.adp.4
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			LAMMPS (21 Jun 2011)
			# bulk Ni in ADP

			units metal
			atom_style atomic

			lattice fcc 3.52
			Lattice spacing in x,y,z = 3.52 3.52 3.52
			region box block 0 20 0 20 0 20
			create_box 1 box
			Created orthogonal box = (0 0 0) to (70.4 70.4 70.4)
			1 by 2 by 2 processor grid
			create_atoms 1 box
			Created 32000 atoms

			pair_style adp
			pair_coeff * * Ni.adp Ni

			velocity all create 1600.0 376847 loop geom

			neighbor 1.0 bin
			neigh_modify delay 5 every 1

			fix 1 all nve

			timestep 0.005

			run 100
			Memory usage per processor = 8.14011 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 1600 -142400 0 -135782.09 20259.105
			100 793.05485 -139023.13 0 -135742.9 32175.694
			Loop time of 8.35851 on 4 procs for 100 steps with 32000 atoms

			Pair time (%) = 7.91279 (94.6674)
			Neigh time (%) = 0.247133 (2.95666)
			Comm time (%) = 0.135002 (1.61514)
			Outpt time (%) = 0.000125289 (0.00149894)
			Other time (%) = 0.0634629 (0.75926)

			Nlocal: 8000 ave 8044 max 7960 min
			Histogram: 1 0 0 1 0 1 0 0 0 1
			Nghost: 9131 ave 9171 max 9087 min
			Histogram: 1 0 0 0 1 0 1 0 0 1
			Neighs: 334259 ave 336108 max 332347 min
			Histogram: 1 0 0 1 0 0 1 0 0 1

			Total # of neighbors = 1337035
			Ave neighs/atom = 41.7823
			Neighbor list builds = 13
			Dangerous builds = 0