diff --git a/examples/kim/log.kim.lj.28jun15.ubuntu.1 b/examples/kim/log.kim.lj.28jun15.ubuntu.1 new file mode 100644 index 0000000000..95284453b1 --- /dev/null +++ b/examples/kim/log.kim.lj.28jun15.ubuntu.1 @@ -0,0 +1,33 @@ +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 diff --git a/examples/kim/log.kim.lj.28jun15.ubuntu.4 b/examples/kim/log.kim.lj.28jun15.ubuntu.4 new file mode 100644 index 0000000000..7eaf58aad4 --- /dev/null +++ b/examples/kim/log.kim.lj.28jun15.ubuntu.4 @@ -0,0 +1,33 @@ +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 diff --git a/examples/kim/log.kim.lj.lmp.28jun15.ubuntu.1 b/examples/kim/log.kim.lj.lmp.28jun15.ubuntu.1 new file mode 100644 index 0000000000..efae0587a1 --- /dev/null +++ b/examples/kim/log.kim.lj.lmp.28jun15.ubuntu.1 @@ -0,0 +1,33 @@ +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 diff --git a/examples/kim/log.kim.lj.lmp.28jun15.ubuntu.4 b/examples/kim/log.kim.lj.lmp.28jun15.ubuntu.4 new file mode 100644 index 0000000000..12c1c76695 --- /dev/null +++ b/examples/kim/log.kim.lj.lmp.28jun15.ubuntu.4 @@ -0,0 +1,33 @@ +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