LAMMPS (5 Oct 2016) # Pour 2d granular particles into container dimension 2 atom_style sphere atom_modify map array boundary f fm p newton off comm_modify vel yes cutoff 2.5 fix prop all property/atom mol ghost 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) 1 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 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 molecule object molecule.vshape Read molecule object: 5 atoms with 1 types 0 bonds with 0 types 0 angles with 0 types 0 dihedrals with 0 types 0 impropers with 0 types fix 3 all rigid/small molecule mol object 0 rigid bodies with 0 atoms 2.23607 = max distance from body owner to body atom # insure region size + molecule size does not overlap wall region slab block 3.0 97.0 30 34.5 -0.5 0.5 units box fix ins all pour 500 0 4767548 vol 0.8 10 region slab mol object rigid 3 Particle insertion: 26 every 3000 steps, 500 by step 57001 fix 4 all enforce2d compute 1 all erotate/sphere compute Tsphere all temp/sphere thermo_style custom step atoms ke c_1 vol thermo_modify lost ignore norm no temp Tsphere compute_modify Tsphere dynamic yes thermo 1000 #dump id all atom 100 tmp.dump #variable colors string # "red green blue yellow white # purple pink orange lime gray" #variable mol2 atom mol%10 #dump 2 all image 250 image.*.jpg v_mol2 type # zoom 1.6 adiam 1.5 #dump_modify 2 pad 5 amap 0 10 sa 1 10 ${colors} #variable colors string # "red green blue yellow white # purple pink orange lime gray" #variable mol3 atom mol%10 #dump 3 all movie 250 movie.mpg v_mol3 type # zoom 1.6 adiam 1.5 #dump_modify 3 pad 5 amap 0 10 sa 1 10 ${colors} 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 = 2.5 binsize = 0.6 -> bins = 167 84 2 Memory usage per processor = 2.75807 Mbytes Step Atoms KinEng c_1 Volume 0 0 -0 0 5000 1000 130 259.24123 2.3772821e-30 5000 2000 130 465.39775 9.5010246e-30 5000 3000 130 736.55426 2.1365791e-29 5000 4000 260 1274.295 6.045774e-05 5000 5000 260 1855.4991 0.0021687846 5000 6000 260 1743.415 1.9678991 5000 7000 390 1675.8228 2.0085353 5000 8000 390 1845.2936 2.678293 5000 9000 390 1747.0301 2.5461774 5000 10000 520 2204.3744 1.3847146 5000 11000 520 1872.5943 6.5018283 5000 12000 520 1448.8705 3.2789997 5000 13000 650 1687.7845 2.4723994 5000 14000 650 1534.5832 1.7381523 5000 15000 650 1517.5812 2.4425352 5000 16000 780 1681.4276 3.5245463 5000 17000 780 1660.4845 3.5652485 5000 18000 780 1400.1788 4.1717202 5000 19000 910 1525.4386 3.2537276 5000 20000 910 1326.4257 3.5226044 5000 21000 910 1125.4321 3.1564949 5000 22000 1040 1262.0253 1.6097601 5000 23000 1040 1042.7 3.1078701 5000 24000 1040 1167.4717 1.4954047 5000 25000 1170 1214.9087 2.4525541 5000 Loop time of 3.19438 on 1 procs for 25000 steps with 1170 atoms Performance: 676187.595 tau/day, 7826.245 timesteps/s 99.8% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.87733 | 0.87733 | 0.87733 | 0.0 | 27.46 Neigh | 0.25913 | 0.25913 | 0.25913 | 0.0 | 8.11 Comm | 0.0095103 | 0.0095103 | 0.0095103 | 0.0 | 0.30 Output | 0.00043368 | 0.00043368 | 0.00043368 | 0.0 | 0.01 Modify | 1.941 | 1.941 | 1.941 | 0.0 | 60.76 Other | | 0.107 | | | 3.35 Nlocal: 1170 ave 1170 max 1170 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 0 ave 0 max 0 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 1699 ave 1699 max 1699 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1699 Ave neighs/atom = 1.45214 Neighbor list builds = 1715 Dangerous builds = 0 Total wall time: 0:00:03