LAMMPS (9 Oct 2020) using 1 OpenMP thread(s) per MPI task # granular chute flow units lj atom_style sphere boundary p p fs newton off comm_modify vel yes read_data data.granular Reading data file ... orthogonal box = (0.0000000 0.0000000 0.0000000) to (40.000000 20.000000 37.288600) 1 by 1 by 1 MPI processor grid reading atoms ... 32000 atoms reading velocities ... 32000 velocities read_data CPU = 0.050 seconds pair_style gran/hooke/history 200000.0 NULL 50.0 NULL 0.5 0 pair_coeff * * neighbor 0.1 bin neigh_modify delay 5 every 1 timestep 0.0001 group bottom type 2 912 atoms in group bottom group active subtract all bottom 31088 atoms in group active neigh_modify exclude group bottom bottom fix 1 all gravity 1.0 chute 26.0 fix 2 bottom freeze fix 3 active nve/sphere compute 1 all erotate/sphere thermo_style custom step atoms ke c_1 vol thermo_modify norm no run 100 Neighbor list info ... update every 1 steps, delay 5 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 1.1 ghost atom cutoff = 1.1 binsize = 0.55, bins = 73 37 68 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair gran/hooke/history, perpetual attributes: half, newton off, size, history pair build: half/size/bin/newtoff stencil: half/bin/3d/newtoff bin: standard Per MPI rank memory allocation (min/avg/max) = 23.37 | 23.37 | 23.37 Mbytes Step Atoms KinEng c_1 Volume 0 32000 784139.13 1601.1263 29833.783 100 32000 784292.08 1571.0968 29834.707 Loop time of 0.274779 on 1 procs for 100 steps with 32000 atoms Performance: 3144.341 tau/day, 363.928 timesteps/s 99.4% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.16956 | 0.16956 | 0.16956 | 0.0 | 61.71 Neigh | 0.027646 | 0.027646 | 0.027646 | 0.0 | 10.06 Comm | 0.010068 | 0.010068 | 0.010068 | 0.0 | 3.66 Output | 0.00017285 | 0.00017285 | 0.00017285 | 0.0 | 0.06 Modify | 0.056372 | 0.056372 | 0.056372 | 0.0 | 20.52 Other | | 0.01096 | | | 3.99 Nlocal: 32000.0 ave 32000 max 32000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 5463.00 ave 5463 max 5463 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 115133.0 ave 115133 max 115133 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 115133 Ave neighs/atom = 3.5979062 Neighbor list builds = 2 Dangerous builds = 0 Total wall time: 0:00:00