(b3242e19) · Commits · 郑智淋 / lammps

examples/kim/log.kim.lj.28jun15.ubuntu.1

0 → 100644

+33 −0

Original line number	Diff line number	Diff line
		LAMMPS (15 May 2015)
		Lattice spacing in x,y,z = 4.43 4.43 4.43
		Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
		1 by 1 by 1 MPI processor grid
		Created 32000 atoms
		Neighbor list info ...
		1 neighbor list requests
		update every 1 steps, delay 0 steps, check yes
		master list distance cutoff = 8.45
		Setting up run ...
		Memory usage per processor = 9.43789 Mbytes
		Step Temp E_pair E_mol TotEng Press
		0 200 -741.55469 0 85.684388 -34.939092
		100 108.37517 -362.56658 0 85.694308 3963.7892
		Loop time of 3.79746 on 1 procs for 100 steps with 32000 atoms

		Pair time (%) = 3.18686 (83.9207)
		Neigh time (%) = 0.524724 (13.8178)
		Comm time (%) = 0.0244031 (0.642616)
		Outpt time (%) = 0.000174046 (0.00458321)
		Other time (%) = 0.061305 (1.61437)

		Nlocal: 32000 ave 32000 max 32000 min
		Histogram: 1 0 0 0 0 0 0 0 0 0
		Nghost: 20131 ave 20131 max 20131 min
		Histogram: 1 0 0 0 0 0 0 0 0 0
		Neighs: 2.09236e+06 ave 2.09236e+06 max 2.09236e+06 min
		Histogram: 1 0 0 0 0 0 0 0 0 0

		Total # of neighbors = 2092355
		Ave neighs/atom = 65.3861
		Neighbor list builds = 5
		Dangerous builds = 0

0 → 100644

+33 −0

Original line number	Diff line number	Diff line
		LAMMPS (15 May 2015)
		Lattice spacing in x,y,z = 4.43 4.43 4.43
		Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
		1 by 2 by 2 MPI processor grid
		Created 32000 atoms
		Neighbor list info ...
		1 neighbor list requests
		update every 1 steps, delay 0 steps, check yes
		master list distance cutoff = 8.45
		Setting up run ...
		Memory usage per processor = 4.70961 Mbytes
		Step Temp E_pair E_mol TotEng Press
		0 200 -741.55469 0 85.684388 -34.939092
		100 108.37517 -362.56658 0 85.694308 3963.7892
		Loop time of 7.25305 on 4 procs for 100 steps with 32000 atoms

		Pair time (%) = 2.52571 (34.8227)
		Neigh time (%) = 0.500287 (6.8976)
		Comm time (%) = 3.70236 (51.0456)
		Outpt time (%) = 0.00146681 (0.0202234)
		Other time (%) = 0.523229 (7.21391)

		Nlocal: 8000 ave 8010 max 7989 min
		Histogram: 1 0 0 0 0 2 0 0 0 1
		Nghost: 9240.25 ave 9249 max 9228 min
		Histogram: 1 0 0 0 1 0 0 0 0 2
		Neighs: 555266 ave 555920 max 554805 min
		Histogram: 2 0 0 0 0 1 0 0 0 1

		Total # of neighbors = 2221065
		Ave neighs/atom = 69.4083
		Neighbor list builds = 5
		Dangerous builds = 0

0 → 100644

+33 −0

Original line number	Diff line number	Diff line
		LAMMPS (15 May 2015)
		Lattice spacing in x,y,z = 4.43 4.43 4.43
		Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
		1 by 1 by 1 MPI processor grid
		Created 32000 atoms
		Neighbor list info ...
		1 neighbor list requests
		update every 1 steps, delay 0 steps, check yes
		master list distance cutoff = 8.45
		Setting up run ...
		Memory usage per processor = 9.18789 Mbytes
		Step Temp E_pair E_mol TotEng Press
		0 200 -741.55469 0 85.684388 -34.939092
		100 108.37517 -362.56658 0 85.694308 3963.7892
		Loop time of 2.95205 on 1 procs for 100 steps with 32000 atoms

		Pair time (%) = 2.52074 (85.3894)
		Neigh time (%) = 0.347949 (11.7867)
		Comm time (%) = 0.0228171 (0.772925)
		Outpt time (%) = 0.000188828 (0.00639649)
		Other time (%) = 0.0603588 (2.04464)

		Nlocal: 32000 ave 32000 max 32000 min
		Histogram: 1 0 0 0 0 0 0 0 0 0
		Nghost: 20131 ave 20131 max 20131 min
		Histogram: 1 0 0 0 0 0 0 0 0 0
		Neighs: 1.88909e+06 ave 1.88909e+06 max 1.88909e+06 min
		Histogram: 1 0 0 0 0 0 0 0 0 0

		Total # of neighbors = 1889091
		Ave neighs/atom = 59.0341
		Neighbor list builds = 5
		Dangerous builds = 0

0 → 100644

+33 −0

Original line number	Diff line number	Diff line
		LAMMPS (15 May 2015)
		Lattice spacing in x,y,z = 4.43 4.43 4.43
		Created orthogonal box = (0 0 0) to (88.6 88.6 88.6)
		1 by 2 by 2 MPI processor grid
		Created 32000 atoms
		Neighbor list info ...
		1 neighbor list requests
		update every 1 steps, delay 0 steps, check yes
		master list distance cutoff = 8.45
		Setting up run ...
		Memory usage per processor = 4.58461 Mbytes
		Step Temp E_pair E_mol TotEng Press
		0 200 -741.55469 0 85.684388 -34.939092
		100 108.37517 -362.56658 0 85.694308 3963.7892
		Loop time of 6.15911 on 4 procs for 100 steps with 32000 atoms

		Pair time (%) = 1.76201 (28.6083)
		Neigh time (%) = 0.265002 (4.30261)
		Comm time (%) = 3.64452 (59.1729)
		Outpt time (%) = 0.0169877 (0.275815)
		Other time (%) = 0.470582 (7.64042)

		Nlocal: 8000 ave 8010 max 7989 min
		Histogram: 1 0 0 0 0 2 0 0 0 1
		Nghost: 9240.25 ave 9249 max 9228 min
		Histogram: 1 0 0 0 1 0 0 0 0 2
		Neighs: 472273 ave 473390 max 471652 min
		Histogram: 2 0 0 1 0 0 0 0 0 1

		Total # of neighbors = 1889091
		Ave neighs/atom = 59.0341
		Neighbor list builds = 5
		Dangerous builds = 0