git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11165 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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sjplimp
61
examples/pour/in.pour.2d.molecule
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61
examples/pour/in.pour.2d.molecule
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# Pour 2d granular particles into container
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dimension 2
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atom_style sphere
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atom_modify map array
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boundary f fm p
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newton off
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communicate single vel yes cutoff 2.5
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fix prop all property/atom mol
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region reg block 0 100 0 50 -0.5 0.5 units box
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create_box 1 reg
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neighbor 0.2 bin
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neigh_modify delay 0
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# IMPORTANT NOTE: these values of stiffness (4000) and timestep (0.001)
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# are used in this example file to produce a quick simulation and movie.
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# More appropriate values for realistic simulations would be
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# k = 4.0e5 and dt = 0.0001, as in bench/in.chute (if it were Hertzian).
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pair_style gran/hertz/history 4000.0 NULL 100.0 NULL 0.5 0
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pair_coeff * *
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timestep 0.001
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fix 2 all gravity 1.0 spherical 0.0 -180.0
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fix xwalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 &
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xplane 0 100
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fix ywalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 &
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yplane 0 NULL
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molecule object molecule.vshape
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fix 3 all rigid/small molecule mol object
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# insure region size + molecule size does not overlap wall
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region slab block 3.0 97.0 30 34.5 -0.5 0.5 units box
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fix ins all pour 500 0 4767548 vol 0.8 10 &
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region slab mol object rigid 3
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fix 4 all enforce2d
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compute 1 all erotate/sphere
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thermo_style custom step atoms ke c_1 vol
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thermo 1000
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thermo_modify lost ignore norm no
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compute_modify thermo_temp dynamic yes
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#dump id all atom 100 tmp.dump
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dump 1 all image 250 image.*.jpg type type &
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zoom 1.6 adiam 1.5
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dump_modify 1 pad 5
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#dump 1 all movie 250 movie.mpg type type &
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# zoom 1.6 adiam 1.5
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#dump_modify 1 pad 5
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run 25000
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106
examples/pour/log.pour.2d.molecule.31Dec13.linux.1
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106
examples/pour/log.pour.2d.molecule.31Dec13.linux.1
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LAMMPS (30 Dec 2013)
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# Pour 2d granular particles into container
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dimension 2
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atom_style sphere
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atom_modify map array
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boundary f fm p
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newton off
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communicate single vel yes cutoff 2.5
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fix prop all property/atom mol
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region reg block 0 100 0 50 -0.5 0.5 units box
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create_box 1 reg
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Created orthogonal box = (0 0 -0.5) to (100 50 0.5)
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1 by 1 by 1 MPI processor grid
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neighbor 0.2 bin
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neigh_modify delay 0
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# IMPORTANT NOTE: these values of stiffness (4000) and timestep (0.001)
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# are used in this example file to produce a quick simulation and movie.
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# More appropriate values for realistic simulations would be
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# k = 4.0e5 and dt = 0.0001, as in bench/in.chute (if it were Hertzian).
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pair_style gran/hertz/history 4000.0 NULL 100.0 NULL 0.5 0
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pair_coeff * *
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timestep 0.001
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fix 2 all gravity 1.0 spherical 0.0 -180.0
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fix xwalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 xplane 0 100
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fix ywalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 yplane 0 NULL
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molecule object molecule.vshape
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fix 3 all rigid/small molecule mol object
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0 rigid bodies with 0 atoms
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2.23607 = max distance from body owner to body atom
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# insure region size + molecule size does not overlap wall
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region slab block 3.0 97.0 30 34.5 -0.5 0.5 units box
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fix ins all pour 500 0 4767548 vol 0.8 10 region slab mol object rigid 3
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Particle insertion: 26 every 3000 steps, 500 by step 57001
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fix 4 all enforce2d
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compute 1 all erotate/sphere
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thermo_style custom step atoms ke c_1 vol
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thermo 1000
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thermo_modify lost ignore norm no
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compute_modify thermo_temp dynamic yes
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#dump id all atom 100 tmp.dump
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#dump 1 all image 250 image.*.jpg type type # zoom 1.6 adiam 1.5
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#dump_modify 1 pad 5
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run 25000
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Memory usage per processor = 8.8613 Mbytes
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Step Atoms KinEng 1 Volume
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0 0 -0 0 5000
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1000 130 208.5324 0.0022531902 5000
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2000 130 395.40215 0.0022531902 5000
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3000 130 647.2719 0.0022531902 5000
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4000 260 1159.1081 0.0026224951 5000
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5000 260 1718.8157 0.0026515989 5000
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6000 260 2031.535 10.691958 5000
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7000 390 2065.2783 21.015337 5000
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8000 390 1911.4694 10.935944 5000
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9000 390 1884.4332 7.8649255 5000
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10000 520 2109.7343 6.3162072 5000
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11000 520 2055.0964 9.2024202 5000
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12000 520 1737.7978 3.8651428 5000
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13000 650 1827.8021 5.4025759 5000
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14000 650 1714.9891 5.1408637 5000
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15000 650 1460.3591 1.9883146 5000
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16000 780 1656.7752 2.6070722 5000
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17000 780 1487.906 2.9690473 5000
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18000 780 1508.32 2.4036266 5000
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19000 910 1508.0974 5.3892045 5000
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20000 910 1310.8002 4.8125827 5000
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21000 910 1044.281 2.4533982 5000
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22000 1040 1188.4887 1.8312293 5000
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23000 1040 1405.6437 2.4849983 5000
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24000 1040 1287.8333 2.4405773 5000
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25000 1170 1190.5047 2.8533518 5000
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Loop time of 3.1821 on 1 procs for 25000 steps with 1170 atoms
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Pair time (%) = 0.846852 (26.613)
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Neigh time (%) = 0.207832 (6.53126)
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Comm time (%) = 0.013463 (0.423086)
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Outpt time (%) = 0.000284433 (0.00893853)
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Other time (%) = 2.11367 (66.4237)
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Nlocal: 1170 ave 1170 max 1170 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 0 ave 0 max 0 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 1707 ave 1707 max 1707 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 1707
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Ave neighs/atom = 1.45897
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Neighbor list builds = 1751
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Dangerous builds = 0
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106
examples/pour/log.pour.2d.molecule.31Dec13.linux.4
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106
examples/pour/log.pour.2d.molecule.31Dec13.linux.4
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LAMMPS (30 Dec 2013)
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# Pour 2d granular particles into container
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dimension 2
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atom_style sphere
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atom_modify map array
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boundary f fm p
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newton off
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communicate single vel yes cutoff 2.5
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fix prop all property/atom mol
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region reg block 0 100 0 50 -0.5 0.5 units box
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create_box 1 reg
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Created orthogonal box = (0 0 -0.5) to (100 50 0.5)
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4 by 1 by 1 MPI processor grid
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neighbor 0.2 bin
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neigh_modify delay 0
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# IMPORTANT NOTE: these values of stiffness (4000) and timestep (0.001)
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# are used in this example file to produce a quick simulation and movie.
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# More appropriate values for realistic simulations would be
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# k = 4.0e5 and dt = 0.0001, as in bench/in.chute (if it were Hertzian).
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pair_style gran/hertz/history 4000.0 NULL 100.0 NULL 0.5 0
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pair_coeff * *
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timestep 0.001
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fix 2 all gravity 1.0 spherical 0.0 -180.0
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fix xwalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 xplane 0 100
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fix ywalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 yplane 0 NULL
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molecule object molecule.vshape
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fix 3 all rigid/small molecule mol object
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0 rigid bodies with 0 atoms
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2.23607 = max distance from body owner to body atom
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# insure region size + molecule size does not overlap wall
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region slab block 3.0 97.0 30 34.5 -0.5 0.5 units box
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fix ins all pour 500 0 4767548 vol 0.8 10 region slab mol object rigid 3
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Particle insertion: 26 every 3000 steps, 500 by step 57001
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fix 4 all enforce2d
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compute 1 all erotate/sphere
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thermo_style custom step atoms ke c_1 vol
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thermo 1000
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thermo_modify lost ignore norm no
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compute_modify thermo_temp dynamic yes
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#dump id all atom 100 tmp.dump
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#dump 1 all image 250 image.*.jpg type type # zoom 1.6 adiam 1.5
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#dump_modify 1 pad 5
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run 25000
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Memory usage per processor = 8.82364 Mbytes
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Step Atoms KinEng 1 Volume
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0 0 -0 0 5000
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1000 130 208.5324 0.0022531902 5000
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2000 130 395.40215 0.0022531902 5000
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3000 130 647.2719 0.0022531902 5000
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4000 260 1159.1081 0.0026224951 5000
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5000 260 1718.8157 0.0026515989 5000
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6000 260 2031.535 10.691958 5000
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7000 390 2065.2783 21.015337 5000
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8000 390 1911.4694 10.935944 5000
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9000 390 1884.4332 7.8649255 5000
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10000 520 2109.7343 6.3162072 5000
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11000 520 2055.0964 9.2024202 5000
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12000 520 1737.7978 3.8651428 5000
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13000 650 1835.9412 5.4696261 5000
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14000 650 1705.5968 4.6127934 5000
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15000 650 1458.6093 2.3324994 5000
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16000 780 1663.1206 3.4762842 5000
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17000 780 1448.6268 2.5272414 5000
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18000 780 1439.06 2.3644535 5000
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19000 910 1353.2736 3.4079237 5000
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20000 910 1303.0395 4.7540237 5000
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21000 910 1037.3662 2.6725377 5000
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22000 1040 1225.3222 2.0920106 5000
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23000 1040 1306.8689 2.4710217 5000
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24000 1040 1304.5309 2.5544338 5000
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25000 1170 1181.4033 4.5232994 5000
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Loop time of 1.19572 on 4 procs for 25000 steps with 1170 atoms
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Pair time (%) = 0.217633 (18.2011)
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Neigh time (%) = 0.0619622 (5.18202)
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Comm time (%) = 0.0785548 (6.56969)
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Outpt time (%) = 0.000421941 (0.0352878)
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Other time (%) = 0.837144 (70.012)
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Nlocal: 292.5 ave 312 max 278 min
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Histogram: 1 1 0 0 0 1 0 0 0 1
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Nghost: 44.5 ave 60 max 28 min
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Histogram: 1 1 0 0 0 0 0 0 0 2
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Neighs: 427.5 ave 451 max 399 min
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Histogram: 1 0 1 0 0 0 0 0 0 2
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Total # of neighbors = 1710
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Ave neighs/atom = 1.46154
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Neighbor list builds = 1769
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Dangerous builds = 0
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35
examples/pour/molecule.vshape
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35
examples/pour/molecule.vshape
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# dimer granular molecule
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5 atoms
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Coords
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1 0 0 0
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2 1 0 0
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3 2 0 0
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4 2 1 0
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5 2 2 0
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Types
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1 1
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2 1
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3 1
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4 1
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5 1
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Diameters
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1 1.0
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2 1.0
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3 1.0
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4 1.0
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5 1.0
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Masses
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1 0.5
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2 0.5
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3 0.5
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4 0.5
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5 0.5
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