log.1Oct06.lj.lmp.scaled.liberty.8
24de4ed57ba5lammps-icms

log.1Oct06.lj.lmp.scaled.liberty.8
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			LAMMPS (1 Oct 2006)
			# 3d Lennard-Jones melt

			variable x index 20
			variable y index 20
			variable z index 20

			units lj
			atom_style atomic

			lattice fcc 0.8442
			region box block 0 $x 0 $y 0 $z
			region box block 0 40 0 $y 0 $z
			region box block 0 40 0 40 0 $z
			region box block 0 40 0 40 0 40
			create_box 1 box
			Created box = (0 0 0) to (67.1838 67.1838 67.1838)
			2 by 2 by 2 processor grid
			create_atoms 1
			Created 256000 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 = 13.1944 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 1.44 -6.7733681 0 -4.6133765 -5.019674
			100 0.7616931 -5.7642895 0 -4.6217544 0.20907141
			Loop time of 9.80536 on 8 procs for 100 steps with 256000 atoms

			Pair time (%) = 7.10165 (72.4262)
			Neigh time (%) = 0.641534 (6.54269)
			Comm time (%) = 1.25001 (12.7483)
			Outpt time (%) = 0.00192311 (0.0196129)
			Other time (%) = 0.810236 (8.2632)

			Nlocal: 32000 ave 32077 max 31945 min
			Histogram: 2 2 0 1 0 0 0 1 1 1
			Nghost: 19666.1 ave 19728 max 19582 min
			Histogram: 1 0 1 1 0 1 0 2 0 2
			Neighs: 1.20362e+06 ave 1.20977e+06 max 1.19745e+06 min
			Histogram: 1 2 0 0 1 0 2 0 0 2

			Total # of neighbors = 9628940
			Ave neighs/atom = 37.613
			Neighbor list builds = 5
			Dangerous builds = 0