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) 2 by 1 by 2 MPI processor grid reading atoms ... 32000 atoms reading velocities ... 32000 velocities read_data CPU = 0.052 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) = 10.59 | 10.59 | 10.60 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 0.0952788 on 4 procs for 100 steps with 32000 atoms Performance: 9068.124 tau/day, 1049.551 timesteps/s 95.4% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.044316 | 0.047274 | 0.049681 | 1.0 | 49.62 Neigh | 0.0079038 | 0.0079354 | 0.0079608 | 0.0 | 8.33 Comm | 0.0082569 | 0.0089372 | 0.0094819 | 0.5 | 9.38 Output | 6.9857e-05 | 9.3222e-05 | 0.00010514 | 0.0 | 0.10 Modify | 0.015689 | 0.016034 | 0.016789 | 0.4 | 16.83 Other | | 0.015 | | | 15.75 Nlocal: 8000.00 ave 8008 max 7992 min Histogram: 2 0 0 0 0 0 0 0 0 2 Nghost: 2439.00 ave 2450 max 2428 min Histogram: 2 0 0 0 0 0 0 0 0 2 Neighs: 29500.5 ave 30488 max 28513 min Histogram: 2 0 0 0 0 0 0 0 0 2 Total # of neighbors = 118002 Ave neighs/atom = 3.6875625 Neighbor list builds = 2 Dangerous builds = 0 Total wall time: 0:00:00