log.1Oct06.lj.lmp.fixed.linux.1
24de4ed57ba5lammm-master

log.1Oct06.lj.lmp.fixed.linux.1
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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 20 0 $y 0 $z
			region box block 0 20 0 20 0 $z
			region box block 0 20 0 20 0 20
			create_box 1 box
			Created box = (0 0 0) to (33.5919 33.5919 33.5919)
			1 by 1 by 1 processor grid
			create_atoms 1
			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 = 13.278 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 1.44 -6.7733681 0 -4.6134356 -5.0197073
			100 0.77196819 -5.7795465 0 -4.6216304 0.079908069
			Loop time of 15.8447 on 1 procs for 100 steps with 32000 atoms

			Pair time (%) = 13.7396 (86.7142)
			Neigh time (%) = 1.07461 (6.78214)
			Comm time (%) = 0.327973 (2.06993)
			Outpt time (%) = 0.001538 (0.00970674)
			Other time (%) = 0.700972 (4.42403)

			Nlocal: 32000 ave 32000 max 32000 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			Nghost: 19715 ave 19715 max 19715 min
			Histogram: 1 0 0 0 0 0 0 0 0 0
			Neighs: 1.20353e+06 ave 1.20353e+06 max 1.20353e+06 min
			Histogram: 1 0 0 0 0 0 0 0 0 0

			Total # of neighbors = 1203529
			Ave neighs/atom = 37.6103
			Neighbor list builds = 5
			Dangerous builds = 0