149 lines
6.2 KiB
Groff
149 lines
6.2 KiB
Groff
LAMMPS (8 Feb 2023)
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OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
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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 template object:
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1 molecules
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0 fragments
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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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create bodies CPU = 0.000 seconds
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0 rigid bodies with 0 atoms
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2.236068 = max distance from body owner to body atom
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# ensure 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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Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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WARNING: Gravity may not be correctly applied to rigid bodies if they consist of overlapped particles (src/RIGID/fix_rigid_small.cpp:554)
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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: full/bin/2d
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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 130 248.65568 0.002050506 5000
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2000 130 452.01354 0.0020557556 5000
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3000 130 720.36849 0.0021462148 5000
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4000 260 1281.7126 0.0021462148 5000
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5000 260 1875.9602 0.0021462148 5000
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6000 260 1742.7747 2.0692779 5000
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7000 390 1860.2142 1.7515066 5000
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8000 390 1853.6219 2.3354959 5000
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9000 390 1749.6466 5.1516327 5000
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10000 520 1860.4314 4.2186838 5000
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11000 520 1636.9411 4.006706 5000
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12000 520 1454.1835 4.3341069 5000
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13000 650 1881.6358 3.9606372 5000
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14000 650 1648.6494 3.8239413 5000
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15000 650 1463.0973 2.9363979 5000
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16000 780 1571.0119 3.9061213 5000
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17000 780 1472.941 2.0289532 5000
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18000 780 1370.5265 3.1038747 5000
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19000 910 1433.6728 2.7600454 5000
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20000 910 1375.3629 2.9649297 5000
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21000 910 1184.8017 2.5049255 5000
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22000 1040 1312.0653 1.8441521 5000
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23000 1040 1181.5473 1.7693597 5000
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24000 1040 1263.4442 2.1476891 5000
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25000 1170 1152.2404 2.4292153 5000
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Loop time of 1.59966 on 4 procs for 25000 steps with 1170 atoms
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Performance: 1350285.365 tau/day, 15628.303 timesteps/s, 18.285 Matom-step/s
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98.5% 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 | 0.23769 | 0.30075 | 0.35002 | 7.5 | 18.80
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Neigh | 0.048877 | 0.062647 | 0.073072 | 3.7 | 3.92
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Comm | 0.075225 | 0.087826 | 0.096819 | 2.9 | 5.49
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Output | 0.0010015 | 0.0011427 | 0.0015053 | 0.6 | 0.07
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Modify | 0.97758 | 0.99506 | 1.0071 | 1.1 | 62.20
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Other | | 0.1522 | | | 9.52
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Nlocal: 292.5 ave 314 max 274 min
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Histogram: 1 0 0 1 0 1 0 0 0 1
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Nghost: 44.5 ave 67 max 23 min
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Histogram: 1 0 1 0 0 0 0 1 0 1
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Neighs: 430 ave 452 max 393 min
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Histogram: 1 0 0 0 0 0 0 2 0 1
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Total # of neighbors = 1720
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Ave neighs/atom = 1.4700855
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Neighbor list builds = 1707
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Dangerous builds = 0
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Total wall time: 0:00:01
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