-------------CPU AFFINITY------------- RANK:0 CPU_SET: 0 1 2 3 4 RANK:1 CPU_SET: 5 6 7 8 9 RANK:2 CPU_SET: 10 11 12 13 14 RANK:3 CPU_SET: 15 16 17 18 19 ------------------------------------- LAMMPS (11 Sep 2015-ICMS) using 5 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) 3 by 4 by 11 MPI processor grid Performance: 2.146 ns/day, 11.183 hours/ns, 12.420 timesteps/s 489.1% CPU use with 132 MPI tasks x 5 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %CPU | %total ----------------------------------------------------------------------- Pair | 11.076 | 23.524 | 32.021 | 78.2 | 496.5 | 14.61 Bond | 0.034107 | 0.13533 | 0.62283 | 39.6 | 128.1 | 0.08 Kspace | 17.205 | 25.482 | 37.908 | 75.9 | 492.1 | 15.82 Neigh | 55.657 | 56.24 | 56.745 | 4.5 | 494.4 | 34.93 Comm | 23.269 | 29.936 | 31.938 | 25.1 | 476.0 | 18.59 Output | 0.086255 | 0.086471 | 0.088826 | 0.1 | 100.0 | 0.05 Modify | 22.956 | 25.071 | 30.815 | 24.7 | 482.2 | 15.57 Other | | 0.5554 | | | | 0.34 Thread timing breakdown (MPI rank 0): Total threaded time 70.5 / 43.8% Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 13.603 | 14.202 | 15.226 | 15.6 | 20.14 Bond | 0.0015318 | 0.0016168 | 0.0017083 | 0.1 | 0.00 Kspace | 0.95115 | 1.517 | 2.1672 | 33.2 | 2.15 Neigh | 39.325 | 40.389 | 41.082 | 10.3 | 57.29 Reduce | 14.073 | 14.395 | 14.589 | 4.8 | 20.42 Nlocal: 2292.73 ave 3264 max 104 min Histogram: 4 4 0 0 6 23 22 38 9 26 Nghost: 300948 ave 353197 max 265756 min Histogram: 12 22 18 17 22 15 4 8 10 4 Neighs: 1.28671e+06 ave 1.83812e+06 max 52545 min Histogram: 6 2 0 0 5 24 20 32 23 20