forked from lijiext/lammps
137 lines
5.1 KiB
Groff
137 lines
5.1 KiB
Groff
LAMMPS (15 Feb 2016)
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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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comm_modify vel yes cutoff 2.5
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fix prop all property/atom mol ghost yes
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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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Read molecule object:
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5 atoms with 1 types
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0 bonds with 0 types
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0 angles with 0 types
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0 dihedrals with 0 types
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0 impropers with 0 types
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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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compute Tsphere all temp/sphere
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thermo_style custom step atoms ke c_1 vol
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thermo_modify lost ignore norm no temp Tsphere
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compute_modify Tsphere dynamic yes
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thermo 1000
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#dump id all atom 100 tmp.dump
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#variable colors string # "red green blue yellow white # purple pink orange lime gray"
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#variable mol2 atom mol%10
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#dump 2 all image 250 image.*.jpg v_mol2 type # zoom 1.6 adiam 1.5
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#dump_modify 2 pad 5 amap 0 10 sa 1 10 ${colors}
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#variable colors string # "red green blue yellow white # purple pink orange lime gray"
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#variable mol3 atom mol%10
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#dump 3 all movie 250 movie.mpg v_mol3 type # zoom 1.6 adiam 1.5
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#dump_modify 3 pad 5 amap 0 10 sa 1 10 ${colors}
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run 25000
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Neighbor list info ...
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2 neighbor list requests
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update every 1 steps, delay 0 steps, check yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 1.2
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ghost atom cutoff = 2.5
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binsize = 0.6 -> bins = 167 84 2
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Memory usage per processor = 2.75807 Mbytes
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Step Atoms KinEng 1 Volume
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0 0 -0 0 5000
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1000 130 259.24123 2.3772821e-30 5000
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2000 130 465.39775 9.5010246e-30 5000
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3000 130 736.55426 2.1365791e-29 5000
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4000 260 1274.295 6.045774e-05 5000
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5000 260 1855.4991 0.0021687846 5000
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6000 260 1936.8934 6.9705094 5000
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7000 390 1909.1519 11.402993 5000
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8000 390 1958.2549 10.910611 5000
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9000 390 1968.6293 14.080709 5000
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10000 520 2278.4559 8.2512574 5000
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11000 520 1952.4436 6.8525602 5000
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12000 520 1391.9826 3.6742003 5000
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13000 650 1608.9033 2.2121034 5000
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14000 650 1562.8758 2.9284792 5000
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15000 650 1549.101 2.432552 5000
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16000 780 1718.9486 2.339785 5000
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17000 780 1646.7053 5.1414663 5000
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18000 780 1441.0842 3.7040072 5000
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19000 910 1546.6435 2.5109623 5000
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20000 910 1379.5416 4.2028322 5000
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21000 910 1155.2864 2.05953 5000
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22000 1040 1237.0246 3.0494101 5000
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23000 1040 1160.8301 3.0040354 5000
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24000 1040 1192.673 1.6310726 5000
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25000 1170 1128.3916 3.3745733 5000
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Loop time of 3.24674 on 1 procs for 25000 steps with 1170 atoms
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Performance: 665282.302 tau/day, 7700.027 timesteps/s
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99.9% CPU use with 1 MPI tasks x no OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 0.90701 | 0.90701 | 0.90701 | 0.0 | 27.94
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Neigh | 0.25099 | 0.25099 | 0.25099 | 0.0 | 7.73
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Comm | 0.010076 | 0.010076 | 0.010076 | 0.0 | 0.31
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Output | 0.00050974 | 0.00050974 | 0.00050974 | 0.0 | 0.02
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Modify | 1.9744 | 1.9744 | 1.9744 | 0.0 | 60.81
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Other | | 0.1038 | | | 3.20
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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: 1699 ave 1699 max 1699 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 1699
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Ave neighs/atom = 1.45214
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Neighbor list builds = 1737
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Dangerous builds = 0
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Total wall time: 0:00:03
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