log.reaxc.VOH.1Feb14.linux.4
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log.reaxc.VOH.1Feb14.linux.4
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			LAMMPS (1 Feb 2014)
			# REAX potential for VOH system
			# .....

			units real

			atom_style charge
			read_data data.VOH
			orthogonal box = (0 0 0) to (25 25 25)
			1 by 2 by 2 MPI processor grid
			reading atoms ...
			100 atoms

			pair_style reax/c lmp_control
			pair_coeff * * ffield.reax.V_O_C_H H C O V

			neighbor 2 bin
			neigh_modify every 10 delay 0 check no

			fix 1 all nve
			fix 2 all qeq/reax 1 0.0 10.0 1e-6 param.qeq
			fix 3 all temp/berendsen 500.0 500.0 100.0

			timestep 0.25

			#dump 1 all atom 30 dump.reax.voh

			run 3000
			Memory usage per processor = 11.277 Mbytes
			Step Temp E_pair E_mol TotEng Press
			0 0 -10246.825 0 -10246.825 42.256091
			3000 470.82008 -10184.008 0 -10045.069 -743.16301
			Loop time of 4.36637 on 4 procs for 3000 steps with 100 atoms

			Pair time (%) = 3.21483 (73.6271)
			Neigh time (%) = 0.142588 (3.26559)
			Comm time (%) = 0.0947427 (2.16983)
			Outpt time (%) = 1.96695e-05 (0.000450478)
			Other time (%) = 0.914186 (20.937)

			Nlocal: 25 ave 39 max 11 min
			Histogram: 1 0 0 0 1 1 0 0 0 1
			Nghost: 368.25 ave 449 max 282 min
			Histogram: 1 0 0 0 1 0 1 0 0 1
			Neighs: 1081 ave 1819 max 421 min
			Histogram: 1 0 1 0 0 1 0 0 0 1

			Total # of neighbors = 4324
			Ave neighs/atom = 43.24
			Neighbor list builds = 300
			Dangerous builds = 0

			Please see the log.cite file for references relevant to this simulation