log.1Feb14.lj.fixed.linux.4
ca3998a659eclammps-icms

log.1Feb14.lj.fixed.linux.4
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			LAMMPS (1 Feb 2014)
			# 3d Lennard-Jones melt

			variable x index 1
			variable y index 1
			variable z index 1

			variable xx equal 20*$x
			variable xx equal 20*1
			variable yy equal 20*$y
			variable yy equal 20*1
			variable zz equal 20*$z
			variable zz equal 20*1

			units lj
			atom_style atomic

			lattice fcc 0.8442
			Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
			region box block 0 ${xx} 0 ${yy} 0 ${zz}
			region box block 0 20 0 ${yy} 0 ${zz}
			region box block 0 20 0 20 0 ${zz}
			region box block 0 20 0 20 0 20
			create_box 1 box
			Created orthogonal box = (0 0 0) to (33.5919 33.5919 33.5919)
			1 by 2 by 2 MPI processor grid
			create_atoms 1 box
			Created 32000 atoms
			mass 1 1.0

			velocity all create 1.44 87287 loop geom

			pair_style lj/cut 2.5
			pair_coeff 1 1 1.0 1.0 2.5

			neighbor 0.3 bin
			neigh_modify delay 0 every 20 check no

			fix 1 all nve

			run 100
			Memory usage per processor = 4.31282 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 1.44 -6.7733681 0 -4.6134356 -5.0197073
			100 0.7574531 -5.7585055 0 -4.6223613 0.20726105
			Loop time of 0.628341 on 4 procs for 100 steps with 32000 atoms

			Pair time (%) = 0.505093 (80.3851)
			Neigh time (%) = 0.0659957 (10.5032)
			Comm time (%) = 0.0406293 (6.46611)
			Outpt time (%) = 8.43406e-05 (0.0134227)
			Other time (%) = 0.016539 (2.63216)

			Nlocal: 8000 ave 8037 max 7964 min
			Histogram: 2 0 0 0 0 0 0 0 1 1
			Nghost: 9007.5 ave 9050 max 8968 min
			Histogram: 1 1 0 0 0 0 0 1 0 1
			Neighs: 300708 ave 305113 max 297203 min
			Histogram: 1 0 0 1 1 0 0 0 0 1

			Total # of neighbors = 1202833
			Ave neighs/atom = 37.5885
			Neighbor list builds = 5
			Dangerous builds = 0