forked from lijiext/lammps
143 lines
5.5 KiB
Groff
143 lines
5.5 KiB
Groff
LAMMPS (27 Nov 2018)
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using 1 OpenMP thread(s) per MPI task
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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 hertz/history 4000.0 NULL 100.0 NULL 0 1 xplane 0 100
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fix ywalls all wall/gran hertz/history 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 max type 1
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0 bonds with max type 0
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0 angles with max type 0
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0 dihedrals with max type 0
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0 impropers with max type 0
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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/dof 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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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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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair gran/hertz/history, perpetual
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attributes: half, newton off, size, history
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pair build: half/size/bin/newtoff
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stencil: half/bin/2d/newtoff
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 5.773 | 5.773 | 5.773 Mbytes
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Step Atoms KinEng c_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 1743.415 1.9678991 5000
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7000 390 1675.8228 2.0085353 5000
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8000 390 1845.2936 2.678293 5000
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9000 390 1747.0301 2.5461774 5000
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10000 520 2204.3744 1.3847146 5000
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11000 520 1872.5943 6.5018283 5000
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12000 520 1448.8705 3.2789997 5000
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13000 650 1687.7845 2.4723994 5000
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14000 650 1534.5832 1.7381523 5000
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15000 650 1517.5812 2.4425352 5000
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16000 780 1680.8761 3.5506853 5000
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17000 780 1661.6046 3.6673972 5000
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18000 780 1391.3201 4.1075002 5000
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19000 910 1526.6687 3.410537 5000
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20000 910 1387.6908 2.7370047 5000
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21000 910 1056.6723 2.5690119 5000
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22000 1040 1226.7461 1.2299974 5000
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23000 1040 1106.7165 3.1057108 5000
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24000 1040 1161.9203 2.0994962 5000
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25000 1170 1187.5093 2.9596172 5000
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Loop time of 1.4211 on 4 procs for 25000 steps with 1170 atoms
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Performance: 1519946.444 tau/day, 17591.973 timesteps/s
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94.0% CPU use with 4 MPI tasks x 1 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 | 0.19053 | 0.21869 | 0.23582 | 3.7 | 15.39
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Neigh | 0.06394 | 0.066575 | 0.070017 | 0.9 | 4.68
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Comm | 0.055579 | 0.070079 | 0.080658 | 3.4 | 4.93
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Output | 0.0012593 | 0.0031545 | 0.0088205 | 5.8 | 0.22
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Modify | 0.89034 | 0.9006 | 0.91315 | 0.9 | 63.37
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Other | | 0.162 | | | 11.40
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Nlocal: 292.5 ave 296 max 285 min
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Histogram: 1 0 0 0 0 0 0 0 1 2
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Nghost: 44 ave 60 max 21 min
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Histogram: 1 0 0 1 0 0 0 0 0 2
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Neighs: 433.25 ave 449 max 418 min
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Histogram: 1 0 1 0 0 0 1 0 0 1
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Total # of neighbors = 1733
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Ave neighs/atom = 1.4812
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Neighbor list builds = 1708
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Dangerous builds = 0
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Total wall time: 0:00:01
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