diff --git a/examples/kim/log.kim.lj.23Jun14.ubuntu.1 b/examples/kim/log.kim.lj.23Jun14.ubuntu.1 new file mode 100644 index 0000000000000000000000000000000000000000..70ecd69581e6938975588cc9c0669e4ed845d380 --- /dev/null +++ b/examples/kim/log.kim.lj.23Jun14.ubuntu.1 @@ -0,0 +1,29 @@ +LAMMPS (14 Jun 2014) +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 +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 3.83621 on 1 procs for 100 steps with 32000 atoms + +Pair time (%) = 3.2118 (83.7233) +Neigh time (%) = 0.542907 (14.1522) +Comm time (%) = 0.0232558 (0.606219) +Outpt time (%) = 0.000192881 (0.0050279) +Other time (%) = 0.0580511 (1.51324) + +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.23Jun14.ubuntu.4 b/examples/kim/log.kim.lj.23Jun14.ubuntu.4 new file mode 100644 index 0000000000000000000000000000000000000000..aa6242f897857aedacf42118a690d802a9f442a1 --- /dev/null +++ b/examples/kim/log.kim.lj.23Jun14.ubuntu.4 @@ -0,0 +1,29 @@ +LAMMPS (14 Jun 2014) +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 +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 4.5871 on 4 procs for 100 steps with 32000 atoms + +Pair time (%) = 2.86385 (62.4326) +Neigh time (%) = 0.52011 (11.3385) +Comm time (%) = 1.14193 (24.8943) +Outpt time (%) = 0.000616491 (0.0134397) +Other time (%) = 0.0606013 (1.32112) + +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.23Jun14.ubuntu.1 b/examples/kim/log.kim.lj.lmp.23Jun14.ubuntu.1 new file mode 100644 index 0000000000000000000000000000000000000000..8380b5a5fc468849cadee9869c1dc95214c3b23d --- /dev/null +++ b/examples/kim/log.kim.lj.lmp.23Jun14.ubuntu.1 @@ -0,0 +1,29 @@ +LAMMPS (14 Jun 2014) +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 +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 2.93267 on 1 procs for 100 steps with 32000 atoms + +Pair time (%) = 2.53716 (86.5136) +Neigh time (%) = 0.316884 (10.8053) +Comm time (%) = 0.0216067 (0.736757) +Outpt time (%) = 0.000198126 (0.00675581) +Other time (%) = 0.0568225 (1.93757) + +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.23Jun14.ubuntu.4 b/examples/kim/log.kim.lj.lmp.23Jun14.ubuntu.4 new file mode 100644 index 0000000000000000000000000000000000000000..537ff49df398228af150099ec5dd57ce1b1da1d7 --- /dev/null +++ b/examples/kim/log.kim.lj.lmp.23Jun14.ubuntu.4 @@ -0,0 +1,29 @@ +LAMMPS (14 Jun 2014) +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 +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 3.50562 on 4 procs for 100 steps with 32000 atoms + +Pair time (%) = 1.8707 (53.3628) +Neigh time (%) = 0.297524 (8.48707) +Comm time (%) = 1.28415 (36.6314) +Outpt time (%) = 0.000634253 (0.0180925) +Other time (%) = 0.052608 (1.50068) + +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