diff --git a/examples/pour/in.pour.2d.molecule b/examples/pour/in.pour.2d.molecule new file mode 100644 index 0000000000..661d5e74ed --- /dev/null +++ b/examples/pour/in.pour.2d.molecule @@ -0,0 +1,61 @@ +# 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 + +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 + +# 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 + +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 + +dump 1 all image 250 image.*.jpg type type & + zoom 1.6 adiam 1.5 +dump_modify 1 pad 5 + +#dump 1 all movie 250 movie.mpg type type & +# zoom 1.6 adiam 1.5 +#dump_modify 1 pad 5 + +run 25000 diff --git a/examples/pour/log.pour.2d.molecule.31Dec13.linux.1 b/examples/pour/log.pour.2d.molecule.31Dec13.linux.1 new file mode 100644 index 0000000000..16f0d8b2b2 --- /dev/null +++ b/examples/pour/log.pour.2d.molecule.31Dec13.linux.1 @@ -0,0 +1,106 @@ +LAMMPS (30 Dec 2013) +# 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 + +#dump 1 all image 250 image.*.jpg type type # zoom 1.6 adiam 1.5 +#dump_modify 1 pad 5 + +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 3.1821 on 1 procs for 25000 steps with 1170 atoms + +Pair time (%) = 0.846852 (26.613) +Neigh time (%) = 0.207832 (6.53126) +Comm time (%) = 0.013463 (0.423086) +Outpt time (%) = 0.000284433 (0.00893853) +Other time (%) = 2.11367 (66.4237) + +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 diff --git a/examples/pour/log.pour.2d.molecule.31Dec13.linux.4 b/examples/pour/log.pour.2d.molecule.31Dec13.linux.4 new file mode 100644 index 0000000000..f2e06354a0 --- /dev/null +++ b/examples/pour/log.pour.2d.molecule.31Dec13.linux.4 @@ -0,0 +1,106 @@ +LAMMPS (30 Dec 2013) +# 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) + 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 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 + +#dump 1 all image 250 image.*.jpg type type # zoom 1.6 adiam 1.5 +#dump_modify 1 pad 5 + +run 25000 +Memory usage per processor = 8.82364 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 1835.9412 5.4696261 5000 + 14000 650 1705.5968 4.6127934 5000 + 15000 650 1458.6093 2.3324994 5000 + 16000 780 1663.1206 3.4762842 5000 + 17000 780 1448.6268 2.5272414 5000 + 18000 780 1439.06 2.3644535 5000 + 19000 910 1353.2736 3.4079237 5000 + 20000 910 1303.0395 4.7540237 5000 + 21000 910 1037.3662 2.6725377 5000 + 22000 1040 1225.3222 2.0920106 5000 + 23000 1040 1306.8689 2.4710217 5000 + 24000 1040 1304.5309 2.5544338 5000 + 25000 1170 1181.4033 4.5232994 5000 +Loop time of 1.19572 on 4 procs for 25000 steps with 1170 atoms + +Pair time (%) = 0.217633 (18.2011) +Neigh time (%) = 0.0619622 (5.18202) +Comm time (%) = 0.0785548 (6.56969) +Outpt time (%) = 0.000421941 (0.0352878) +Other time (%) = 0.837144 (70.012) + +Nlocal: 292.5 ave 312 max 278 min +Histogram: 1 1 0 0 0 1 0 0 0 1 +Nghost: 44.5 ave 60 max 28 min +Histogram: 1 1 0 0 0 0 0 0 0 2 +Neighs: 427.5 ave 451 max 399 min +Histogram: 1 0 1 0 0 0 0 0 0 2 + +Total # of neighbors = 1710 +Ave neighs/atom = 1.46154 +Neighbor list builds = 1769 +Dangerous builds = 0 diff --git a/examples/pour/molecule.vshape b/examples/pour/molecule.vshape new file mode 100644 index 0000000000..2237c3fc09 --- /dev/null +++ b/examples/pour/molecule.vshape @@ -0,0 +1,35 @@ +# dimer granular molecule + +5 atoms + +Coords + +1 0 0 0 +2 1 0 0 +3 2 0 0 +4 2 1 0 +5 2 2 0 + +Types + +1 1 +2 1 +3 1 +4 1 +5 1 + +Diameters + +1 1.0 +2 1.0 +3 1.0 +4 1.0 +5 1.0 + +Masses + +1 0.5 +2 0.5 +3 0.5 +4 0.5 +5 0.5