diff --git a/examples/kim/log.kim.lj.23Jun14.ubuntu.1 b/examples/kim/log.kim.lj.27Jul14.ubuntu.1 similarity index 73% rename from examples/kim/log.kim.lj.23Jun14.ubuntu.1 rename to examples/kim/log.kim.lj.27Jul14.ubuntu.1 index 70ecd69581..be3a562593 100644 --- a/examples/kim/log.kim.lj.23Jun14.ubuntu.1 +++ b/examples/kim/log.kim.lj.27Jul14.ubuntu.1 @@ -1,4 +1,4 @@ -LAMMPS (14 Jun 2014) +LAMMPS (22 Jul 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 @@ -8,13 +8,13 @@ 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 +Loop time of 4.75245 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) +Pair time (%) = 4.01667 (84.518) +Neigh time (%) = 0.625528 (13.1622) +Comm time (%) = 0.0258038 (0.542958) +Outpt time (%) = 0.000221968 (0.0046706) +Other time (%) = 0.0842211 (1.77216) Nlocal: 32000 ave 32000 max 32000 min Histogram: 1 0 0 0 0 0 0 0 0 0 diff --git a/examples/kim/log.kim.lj.23Jun14.ubuntu.4 b/examples/kim/log.kim.lj.27Jul14.ubuntu.4 similarity index 72% rename from examples/kim/log.kim.lj.23Jun14.ubuntu.4 rename to examples/kim/log.kim.lj.27Jul14.ubuntu.4 index aa6242f897..8a2d000fc7 100644 --- a/examples/kim/log.kim.lj.23Jun14.ubuntu.4 +++ b/examples/kim/log.kim.lj.27Jul14.ubuntu.4 @@ -1,4 +1,4 @@ -LAMMPS (14 Jun 2014) +LAMMPS (22 Jul 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 @@ -8,13 +8,13 @@ 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 +Loop time of 5.90028 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) +Pair time (%) = 3.60006 (61.0151) +Neigh time (%) = 0.647729 (10.9779) +Comm time (%) = 1.53499 (26.0156) +Outpt time (%) = 0.000967205 (0.0163925) +Other time (%) = 0.116533 (1.97503) Nlocal: 8000 ave 8010 max 7989 min Histogram: 1 0 0 0 0 2 0 0 0 1 diff --git a/examples/kim/log.kim.lj.lmp.27Jul14.ubuntu.1 b/examples/kim/log.kim.lj.lmp.27Jul14.ubuntu.1 new file mode 100644 index 0000000000..f18966a6e1 --- /dev/null +++ b/examples/kim/log.kim.lj.lmp.27Jul14.ubuntu.1 @@ -0,0 +1,29 @@ +LAMMPS (22 Jul 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 3.54831 on 1 procs for 100 steps with 32000 atoms + +Pair time (%) = 3.08427 (86.9224) +Neigh time (%) = 0.360906 (10.1712) +Comm time (%) = 0.0227935 (0.642378) +Outpt time (%) = 0.000263929 (0.00743818) +Other time (%) = 0.08007 (2.25657) + +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.27Jul14.ubuntu.4 b/examples/kim/log.kim.lj.lmp.27Jul14.ubuntu.4 new file mode 100644 index 0000000000..5a88f04f1c --- /dev/null +++ b/examples/kim/log.kim.lj.lmp.27Jul14.ubuntu.4 @@ -0,0 +1,29 @@ +LAMMPS (22 Jul 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 4.39234 on 4 procs for 100 steps with 32000 atoms + +Pair time (%) = 2.46061 (56.0206) +Neigh time (%) = 0.355866 (8.10198) +Comm time (%) = 1.4468 (32.9392) +Outpt time (%) = 0.00400174 (0.0911073) +Other time (%) = 0.125055 (2.84712) + +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