log.melt-4m-1t
ea53d3582ad5lammps-icms

log.melt-4m-1t
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			LAMMPS (5 Jun 2010-ICMS)
			# 3d Lennard-Jones melt

			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 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 processor grid
			using 1 OpenMP thread(s) per MPI task
			create_atoms 1 box
			Created 32000 atoms
			mass 1 1.0

			velocity all create 3.0 87287

			pair_style lj/cut/omp 2.5
			pair_coeff 1 1 1.0 1.0 2.5

			neighbor 0.3 bin
			neigh_modify every 20 delay 0 check no

			fix 1 all nve

			dump id all atom 50 dump.melt

			thermo 50
			#run_test
			run 250
			Memory usage per processor = 4.07681 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 3 -6.7733681 0 -2.2735087 -3.7027964
			50 12.6751964 -4.793906 0 -2.28119 5.6449888
			100 1.6492395 -4.7543479 0 -2.2805659 15.8242183
			150 1.6468325 -4.7503201 0 -2.2801485 5.857928
			200 1.64095 -4.741475 0 -2.280127 5.8888655
			250 1.6425393 -4.7441579 0 -2.2804259 5.8751067
			Loop time of 2.24029 on 4 procs / 1 threads for 250 steps with 32000 atoms

			Pair time (%) = 1.49241 (66.6168)
			Neigh time (%) = 0.206697 (9.22635)
			Comm time (%) = 0.194079 (8.66312)
			Outpt time (%) = 0.292598 (13.0607)
			Other time (%) = 0.0545074 (2.43305)

			Nlocal: 8000 ave 8011 max 7981 min
			Histogram: 1 0 0 0 0 0 0 2 0 1
			Nghost: 8616 ave 8628 max 8605 min
			Histogram: 1 1 0 0 0 0 0 1 0 1
			Neighs: 303098 ave 306712 max 300441 min
			Histogram: 1 0 1 0 1 0 0 0 0 1

			Total # of neighbors = 1212392
			Ave neighs/atom = 37.8873
			Neighbor list builds = 12
			Dangerous builds = 0
			#run_test