LAMMPS (5 Oct 2016) # Pour 2d granular particles into container dimension 2 atom_style sphere boundary f fm p newton off comm_modify vel yes region reg block 0 100 0 50 -0.5 0.5 units box create_box 1 reg Created orthogonal box = (0 0 -0.5) to (100 50 0.5) 4 by 1 by 1 MPI processor grid neighbor 0.2 bin neigh_modify delay 0 # IMPORTANT NOTE: these values of stiffness (4000) and timestep (0.001) # are used in this example file to produce a quick simulation and movie. # More appropriate values for realistic simulations would be # k = 4.0e5 and dt = 0.0001, as in bench/in.chute (if it were Hertzian). pair_style gran/hertz/history 4000.0 NULL 100.0 NULL 0.5 0 pair_coeff * * timestep 0.001 fix 1 all nve/sphere fix 2 all gravity 1.0 spherical 0.0 -180.0 fix xwalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 xplane 0 100 fix ywalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 yplane 0 NULL region slab block 1.0 99.0 30 34.5 -0.5 0.5 units box fix ins all pour 1000 1 4767548 vol 0.4 10 diam range 0.5 1.0 region slab Particle insertion: 224 every 3000 steps, 1000 by step 12001 fix 3 all enforce2d compute 1 all erotate/sphere thermo_style custom step atoms ke c_1 vol thermo 1000 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes #dump id all atom 250 dump.pour #dump 2 all image 500 image.*.jpg type type # zoom 1.6 adiam 1.5 #dump_modify 2 pad 5 #dump 3 all movie 500 movie.mpg type type # zoom 1.6 adiam 1.5 #dump_modify 3 pad 5 run 25000 Neighbor list info ... 2 neighbor list requests update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 1.2 ghost atom cutoff = 1.2 binsize = 0.6 -> bins = 167 84 2 Memory usage per processor = 2.7174 Mbytes Step Atoms KinEng c_1 Volume 0 0 -0 0 5000 1000 224 201.77464 0 5000 2000 224 372.42868 0 5000 3000 224 599.60221 0 5000 4000 448 1084.3752 0 5000 5000 448 1592.4543 0 5000 6000 448 1763.3153 37.274939 5000 7000 672 1805.206 89.331853 5000 8000 672 1778.0015 111.58381 5000 9000 672 1592.6805 97.550311 5000 10000 896 1630.8521 79.742572 5000 11000 896 1593.1588 67.633788 5000 12000 896 1562.2084 65.097236 5000 13000 1000 1504.1203 63.468934 5000 14000 1000 1266.5724 55.837334 5000 15000 1000 1041.8665 48.938774 5000 16000 1000 766.27305 43.846151 5000 17000 1000 466.30103 43.206188 5000 18000 1000 320.50154 26.84775 5000 19000 1000 207.91453 29.183522 5000 20000 1000 52.447982 19.30378 5000 21000 1000 22.027641 10.395933 5000 22000 1000 15.395099 6.7003289 5000 23000 1000 11.97674 5.2548063 5000 24000 1000 7.8974699 3.7396899 5000 25000 1000 6.1288038 2.2056805 5000 Loop time of 0.974647 on 4 procs for 25000 steps with 1000 atoms Performance: 2216187.157 tau/day, 25650.314 timesteps/s 99.4% CPU use with 4 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.29556 | 0.31544 | 0.33654 | 3.0 | 32.36 Neigh | 0.10012 | 0.10782 | 0.11355 | 1.7 | 11.06 Comm | 0.081835 | 0.087606 | 0.098412 | 2.2 | 8.99 Output | 0.00039244 | 0.00043273 | 0.0004766 | 0.2 | 0.04 Modify | 0.28155 | 0.29814 | 0.31262 | 2.2 | 30.59 Other | | 0.1652 | | | 16.95 Nlocal: 250 ave 267 max 232 min Histogram: 1 0 0 0 1 1 0 0 0 1 Nghost: 18 ave 23 max 14 min Histogram: 2 0 0 0 0 0 0 1 0 1 Neighs: 606 ave 664 max 559 min Histogram: 1 0 1 0 0 1 0 0 0 1 Total # of neighbors = 2424 Ave neighs/atom = 2.424 Neighbor list builds = 2060 Dangerous builds = 0 Total wall time: 0:00:00