Loop time of 31987.6 on 40 procs for 4000000 steps with 2471 atoms Performance: 5.402 ns/day, 4.443 hours/ns, 125.048 timesteps/s, 308.995 katom-step/s 83.5% CPU use with 40 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 3535.5 | 4477.1 | 5244.5 | 876.0 | 14.00 Bond | 130.99 | 162.25 | 199.49 | 207.7 | 0.51 Kspace | 20321 | 20837 | 21515 | 246.6 | 65.14 Neigh | 75.606 | 79.969 | 84.38 | 44.3 | 0.25 Comm | 3755.9 | 4259.3 | 4702 | 617.6 | 13.32 Output | 5.44 | 5.7401 | 6.0376 | 6.8 | 0.02 Modify | 1827.1 | 1937.1 | 2046.5 | 243.4 | 6.06 Other | | 228.7 | | | 0.72 Nlocal: 61.775 ave 95 max 39 min Histogram: 2 2 5 9 11 8 2 0 0 1 Nghost: 8783.17 ave 8869 max 8693 min Histogram: 1 0 4 6 11 3 8 3 2 2 Neighs: 0 ave 0 max 0 min Histogram: 40 0 0 0 0 0 0 0 0 0 Total # of neighbors = 0 Ave neighs/atom = 0 Ave special neighs/atom = 6.7988669 Neighbor list builds = 35478 Dangerous builds = 0 variable gamma_avg equal f_phys_ave[3] print "Final averaged interfacial tension: $(v_gamma_avg:%.4f) mJ/m^2" Final averaged interfacial tension: 387.5349 mJ/m^2 unfix pz_prof unfix phys_ave unfix nvt_prod unfix momentum_prod unfix shake_OH unfix interface_track undump prod_dump uncompute chunks