LAMMPS (1 Feb 2014) # Pour 2d granular particles into container dimension 2 atom_style sphere atom_modify map array boundary f fm p newton off communicate single vel yes cutoff 2.5 fix prop all property/atom mol 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 4000.0 NULL 100.0 NULL 0 1 xplane 0 100 fix ywalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 yplane 0 NULL molecule object molecule.vshape 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 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 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 Memory usage per processor = 8.8613 Mbytes Step Atoms KinEng 1 Volume 0 0 -0 0 5000 1000 130 208.5324 0.0022531902 5000 2000 130 395.40215 0.0022531902 5000 3000 130 647.2719 0.0022531902 5000 4000 260 1159.1081 0.0026224951 5000 5000 260 1718.8157 0.0026515989 5000 6000 260 2031.535 10.691958 5000 7000 390 2065.2783 21.015337 5000 8000 390 1911.4694 10.935944 5000 9000 390 1884.4332 7.8649255 5000 10000 520 2109.7343 6.3162072 5000 11000 520 2055.0964 9.2024202 5000 12000 520 1737.7978 3.8651428 5000 13000 650 1827.8021 5.4025759 5000 14000 650 1714.9891 5.1408637 5000 15000 650 1460.3591 1.9883146 5000 16000 780 1656.7752 2.6070722 5000 17000 780 1487.906 2.9690473 5000 18000 780 1508.32 2.4036266 5000 19000 910 1508.0974 5.3892045 5000 20000 910 1310.8002 4.8125827 5000 21000 910 1044.281 2.4533982 5000 22000 1040 1188.4887 1.8312293 5000 23000 1040 1405.6437 2.4849983 5000 24000 1040 1287.8333 2.4405773 5000 25000 1170 1190.5047 2.8533518 5000 Loop time of 3.16526 on 1 procs for 25000 steps with 1170 atoms Pair time (%) = 0.829346 (26.2015) Neigh time (%) = 0.207036 (6.54087) Comm time (%) = 0.0133698 (0.422392) Outpt time (%) = 0.000298738 (0.00943804) Other time (%) = 2.11521 (66.8258) 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: 1707 ave 1707 max 1707 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 1707 Ave neighs/atom = 1.45897 Neighbor list builds = 1751 Dangerous builds = 0