LAMMPS (6 Jul 2017) Reading restart file ... restart file = 6 Jul 2017, LAMMPS = 6 Jul 2017 WARNING: Restart file used different # of processors (../read_restart.cpp:717) orthogonal box = (-41 -0.0539844 -0.0637382) to (162 30.2845 42.8161) 10 by 1 by 2 MPI processor grid 13824 atoms WARNING: No fixes defined, atoms won't move (../verlet.cpp:55) Unused restart file global fix info: fix style: atom/swap, fix ID: 3 fix style: nvt, fix ID: 1 Neighbor list info ... update every 1 steps, delay 10 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 7.1836 ghost atom cutoff = 7.1836 binsize = 3.5918, bins = 57 9 12 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair adp, perpetual attributes: half, newton on pair build: half/bin/atomonly/newton stencil: half/bin/3d/newton bin: standard Setting up Verlet run ... Unit style : metal Current step : 1500000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 0.6756 | 4.772 | 5.946 Mbytes Step Temp E_pair E_mol TotEng Press 1500000 1100 -61378.208 0 -59412.769 5840.3089 Loop time of 3.73125e-06 on 20 procs for 0 steps with 13824 atoms 117.9% CPU use with 20 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0 | 0 | 0 | 0.0 | 0.00 Neigh | 0 | 0 | 0 | 0.0 | 0.00 Comm | 0 | 0 | 0 | 0.0 | 0.00 Output | 0 | 0 | 0 | 0.0 | 0.00 Modify | 0 | 0 | 0 | 0.0 | 0.00 Other | | 3.731e-06 | | |100.00 Nlocal: 691.2 ave 1152 max 0 min Histogram: 8 0 0 0 0 0 0 0 0 12 Nghost: 2315.75 ave 3888 max 0 min Histogram: 4 0 4 0 0 0 0 4 0 8 Neighs: 46595.8 ave 80739 max 0 min Histogram: 8 0 0 0 0 0 0 0 1 11 Total # of neighbors = 931917 Ave neighs/atom = 67.413 Neighbor list builds = 0 Dangerous builds = 0 Setting up Verlet run ... Unit style : metal Current step : 1500000 Time step : 0.001 Per MPI rank memory allocation (min/avg/max) = 0.6756 | 4.772 | 5.946 Mbytes Step Temp c_1 c_2 c_3 c_4 TotEng Press Volume Lx Ly Lz 1500000 1100 -4.44 0 0 -4.44 -4.298 5840 2.641e+05 203 30.34 42.88 1500100 726.9 -4.384 0 0 -4.384 -4.291 -2284 2.689e+05 204.3 30.52 43.14 1500200 751.7 -4.374 0 0 -4.374 -4.277 -2125 2.697e+05 204.5 30.55 43.18 1500300 838.8 -4.37 0 0 -4.37 -4.262 3640 2.688e+05 204.3 30.51 43.13 1500400 887.7 -4.36 0 0 -4.36 -4.246 -196.2 2.704e+05 204.8 30.56 43.21 1500500 949 -4.352 0 0 -4.352 -4.229 -638.8 2.713e+05 204.9 30.59 43.27 1500600 1008 -4.344 0 0 -4.344 -4.214 1564 2.713e+05 204.9 30.61 43.28 1500700 1059 -4.337 0 0 -4.337 -4.2 527.3 2.723e+05 205.1 30.64 43.33 1500800 1106 -4.332 0 0 -4.332 -4.189 -1224 2.73e+05 205.3 30.66 43.37 1500900 1124 -4.327 0 0 -4.327 -4.182 527.6 2.729e+05 205.3 30.66 43.37 1501000 1113 -4.326 0 0 -4.326 -4.183 85.81 2.73e+05 205.2 30.67 43.38 Loop time of 100.702 on 20 procs for 1000 steps with 13824 atoms Performance: 0.858 ns/day, 27.973 hours/ns, 9.930 timesteps/s 99.9% CPU use with 20 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.00040221 | 4.4828 | 6.5625 | 120.6 | 4.45 Neigh | 4.0293e-05 | 0.02043 | 0.038135 | 11.6 | 0.02 Comm | 0.00085044 | 0.1654 | 0.45461 | 38.0 | 0.16 Output | 0.00050116 | 0.00053997 | 0.00065589 | 0.0 | 0.00 Modify | 94.006 | 96.01 | 100.67 | 26.9 | 95.34 Other | | 0.02234 | | | 0.02 Nlocal: 691.2 ave 1152 max 0 min Histogram: 8 0 0 0 0 0 0 0 0 12 Nghost: 2269.45 ave 3853 max 0 min Histogram: 4 0 4 0 0 0 2 2 0 8 Neighs: 45955.6 ave 78490 max 0 min Histogram: 8 0 0 0 0 0 0 0 0 12 Total # of neighbors = 919111 Ave neighs/atom = 66.4866 Neighbor list builds = 15 Dangerous builds = 0 ERROR: Could not find undump ID (../output.cpp:637) Last command: undump 2