-------------CPU AFFINITY------------- RANK:0 CPU_SET: 0 RANK:1 CPU_SET: 1 RANK:2 CPU_SET: 2 RANK:3 CPU_SET: 3 RANK:4 CPU_SET: 4 RANK:5 CPU_SET: 5 RANK:6 CPU_SET: 6 RANK:7 CPU_SET: 7 RANK:8 CPU_SET: 8 RANK:9 CPU_SET: 9 RANK:10 CPU_SET: 10 RANK:11 CPU_SET: 11 RANK:12 CPU_SET: 12 RANK:13 CPU_SET: 13 RANK:14 CPU_SET: 14 RANK:15 CPU_SET: 15 RANK:16 CPU_SET: 16 RANK:17 CPU_SET: 17 RANK:18 CPU_SET: 18 RANK:19 CPU_SET: 19 ------------------------------------- LAMMPS (11 Sep 2015-ICMS) using 1 OpenMP thread(s) per MPI task using multi-threaded neighbor list subroutines using multi-threaded neighbor list subroutines Reading data file ... orthogonal box = (-75 -75 -78.903) to (75 75 78.903) 6 by 10 by 11 MPI processor grid Performance: 1.966 ns/day, 12.207 hours/ns, 11.378 timesteps/s 95.8% CPU use with 660 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %CPU | %total ----------------------------------------------------------------------- Pair | 3.9311 | 14.393 | 22.236 | 94.7 | 99.9 | 8.19 Bond | 0.013761 | 0.12694 | 0.891 | 53.4 | 99.7 | 0.07 Kspace | 19.619 | 29.774 | 40.844 | 69.6 | 99.9 | 16.94 Neigh | 56.353 | 59.76 | 60.255 | 6.1 | 100.0 | 34.00 Comm | 36.846 | 40.051 | 47.337 | 23.6 | 85.9 | 22.79 Output | 0.23841 | 0.23883 | 0.24183 | 0.0 | 98.8 | 0.14 Modify | 28.094 | 30.906 | 34.146 | 12.7 | 94.5 | 17.58 Other | | 0.5257 | | | | 0.30 Thread timing breakdown (MPI rank 0): Total threaded time 49.22 / 28.0% Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 13.924 | 13.924 | 13.924 | 0.0 | 28.29 Bond | 0.0012617 | 0.0012617 | 0.0012617 | 0.0 | 0.00 Kspace | 0.80669 | 0.80669 | 0.80669 | 0.0 | 1.64 Neigh | 34.479 | 34.479 | 34.479 | 0.0 | 70.05 Reduce | 0.0099552 | 0.0099552 | 0.0099552 | 0.0 | 0.02 Nlocal: 458.547 ave 769 max 0 min Histogram: 37 10 5 8 100 138 162 107 69 24 Nghost: 222021 ave 240349 max 212298 min Histogram: 108 104 109 93 81 68 38 29 21 9 Neighs: 258714 ave 460115 max 0 min Histogram: 43 9 4 29 112 152 152 110 34 15