-------------CPU AFFINITY------------- RANK:0 CPU_SET: 0 1 RANK:1 CPU_SET: 2 3 RANK:2 CPU_SET: 4 5 RANK:3 CPU_SET: 6 7 RANK:4 CPU_SET: 8 9 RANK:5 CPU_SET: 10 11 RANK:6 CPU_SET: 12 13 RANK:7 CPU_SET: 14 15 RANK:8 CPU_SET: 16 17 RANK:9 CPU_SET: 18 19 ------------------------------------- LAMMPS (11 Sep 2015-ICMS) using 2 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) 5 by 6 by 11 MPI processor grid Performance: 2.037 ns/day, 11.782 hours/ns, 11.788 timesteps/s 194.0% CPU use with 330 MPI tasks x 2 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %CPU | %total ----------------------------------------------------------------------- Pair | 27.588 | 98.978 | 160.37 | 230.7 | 199.1 | 11.67 Bond | 0.10971 | 0.66907 | 3.7158 | 109.1 | 108.3 | 0.08 Kspace | 82.011 | 152.3 | 227.09 | 194.7 | 197.4 | 17.95 Neigh | 290.56 | 294.28 | 297.35 | 8.9 | 198.4 | 34.69 Comm | 147.58 | 172.71 | 191.81 | 49.5 | 186.5 | 20.36 Output | 0.61912 | 0.62854 | 0.64221 | 0.1 | 100.0 | 0.07 Modify | 107.8 | 126.23 | 161.39 | 65.5 | 185.5 | 14.88 Other | | 2.513 | | | | 0.30 Thread timing breakdown (MPI rank 0): Total threaded time 308.1 / 36.3% Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 68.581 | 70.149 | 71.717 | 18.7 | 22.77 Bond | 0.0046172 | 0.005174 | 0.0057309 | 0.8 | 0.00 Kspace | 4.7433 | 5.0762 | 5.4091 | 14.8 | 1.65 Neigh | 184.89 | 185.01 | 185.13 | 0.9 | 60.06 Reduce | 47.615 | 47.828 | 48.041 | 3.1 | 15.53 Nlocal: 917.094 ave 1508 max 0 min Histogram: 14 8 2 6 46 58 89 57 40 10 Nghost: 245387 ave 274009 max 229247 min Histogram: 48 50 38 61 41 41 24 14 9 4 Neighs: 515210 ave 900040 max 0 min Histogram: 19 4 6 6 52 73 90 56 18 6