forked from lijiext/lammps
137 lines
5.2 KiB
Groff
137 lines
5.2 KiB
Groff
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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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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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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 = 2.72041 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 2.3773387e-30 5000
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2000 130 465.39775 9.5010816e-30 5000
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3000 130 736.55426 2.1365846e-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 1608.8924 2.2123232 5000
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14000 650 1562.872 2.9306477 5000
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15000 650 1548.2428 2.4495128 5000
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16000 780 1712.8658 2.2773941 5000
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17000 780 1649.1423 4.9833774 5000
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18000 780 1421.6645 4.0064802 5000
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19000 910 1574.37 2.4833854 5000
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20000 910 1354.8838 5.1248395 5000
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21000 910 1156.7385 2.5239056 5000
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22000 1040 1233.7916 2.9364978 5000
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23000 1040 1150.2238 2.5059515 5000
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24000 1040 1224.372 1.6145537 5000
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25000 1170 1202.871 2.6775319 5000
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Loop time of 1.18423 on 4 procs for 25000 steps with 1170 atoms
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Performance: 1823968.216 tau/day, 21110.743 timesteps/s
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99.1% CPU use with 4 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 | 0.22024 | 0.23723 | 0.25431 | 2.6 | 20.03
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Neigh | 0.057575 | 0.064853 | 0.070241 | 1.8 | 5.48
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Comm | 0.068985 | 0.082663 | 0.097154 | 3.9 | 6.98
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Output | 0.00060296 | 0.00069225 | 0.0009203 | 0.5 | 0.06
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Modify | 0.67185 | 0.6862 | 0.69518 | 1.1 | 57.94
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Other | | 0.1126 | | | 9.51
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Nlocal: 292.5 ave 304 max 278 min
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Histogram: 1 0 1 0 0 0 0 0 0 2
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Nghost: 42.5 ave 58 max 27 min
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Histogram: 1 1 0 0 0 0 0 0 1 1
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Neighs: 427 ave 456 max 388 min
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Histogram: 1 0 0 1 0 0 0 0 0 2
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Total # of neighbors = 1708
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Ave neighs/atom = 1.45983
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Neighbor list builds = 1732
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Dangerous builds = 0
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Total wall time: 0:00:01
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