289 lines
12 KiB
Groff
289 lines
12 KiB
Groff
LAMMPS (17 Apr 2024 - Development - patch_5May2020-18508-g3c0eaf6870-modified)
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# ------ 2D Poiseuille flow ------ #
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dimension 2
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units lj
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atom_style rheo
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boundary p p p
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comm_modify vel yes
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# ------ Create simulation box ------ #
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variable n equal 1.0
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variable cut equal 3.0
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region box block 0 20 -10 10 -0.01 0.01
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create_box 2 box
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Created orthogonal box = (0 -10 -0.01) to (20 10 0.01)
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2 by 2 by 1 MPI processor grid
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lattice sq ${n}
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lattice sq 1
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Lattice spacing in x,y,z = 1 1 1
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region inner block INF INF -7.5 7.5 INF INF units box
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region walls block INF INF -7.5 7.5 INF INF units box side out
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create_atoms 2 region walls
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Created 100 atoms
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using lattice units in orthogonal box = (0 -10 -0.01) to (20 10 0.01)
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create_atoms CPU = 0.000 seconds
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create_atoms 1 region inner
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Created 300 atoms
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using lattice units in orthogonal box = (0 -10 -0.01) to (20 10 0.01)
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create_atoms CPU = 0.000 seconds
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group fluid type 1
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300 atoms in group fluid
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group rig type 2
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100 atoms in group rig
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displace_atoms fluid random 0.1 0.1 0 135414 units box
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Displacing atoms ...
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# ------ Model parameters ------ #
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variable rho0 equal 1.0
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variable cs equal 1.0
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variable mp equal ${rho0}/${n}
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variable mp equal 1/${n}
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variable mp equal 1/1
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variable zeta equal 1.0
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variable kappa equal 1.0*${rho0}/${mp}
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variable kappa equal 1.0*1/${mp}
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variable kappa equal 1.0*1/1
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variable fext equal 1e-4/${n}
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variable fext equal 1e-4/1
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variable dt_max equal 0.1*${cut}/${cs}/3
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variable dt_max equal 0.1*3/${cs}/3
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variable dt_max equal 0.1*3/1/3
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variable Dr equal 0.05*${cut}*${cs}
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variable Dr equal 0.05*3*${cs}
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variable Dr equal 0.05*3*1
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variable eta equal 0.1
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variable gd0 equal 5e-4
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variable npow equal 0.5
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variable K equal 0.001
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mass * ${mp}
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mass * 1
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set group all rheo/rho ${rho0}
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set group all rheo/rho 1
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Setting atom values ...
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400 settings made for rheo/rho
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set group all rheo/status 0
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Setting atom values ...
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400 settings made for rheo/status
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set group rig rheo/status 1
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Setting atom values ...
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100 settings made for rheo/status
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timestep ${dt_max}
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timestep 0.1
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pair_style rheo ${cut} artificial/visc ${zeta} rho/damp ${Dr}
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pair_style rheo 3 artificial/visc ${zeta} rho/damp ${Dr}
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pair_style rheo 3 artificial/visc 1 rho/damp ${Dr}
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pair_style rheo 3 artificial/visc 1 rho/damp 0.15
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pair_coeff * *
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# ------ Fixes & computes ------ #
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fix 1 all rheo ${cut} quintic 0 shift
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fix 1 all rheo 3 quintic 0 shift
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fix 2 all rheo/viscosity * constant ${eta}
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fix 2 all rheo/viscosity * constant 0.1
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#fix 2 all rheo/viscosity * power ${eta} ${gd0} ${K} ${npow}
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fix 3 all rheo/pressure * linear
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fix 4 rig setforce 0.0 0.0 0.0
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fix 5 fluid addforce ${fext} 0.0 0.0
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fix 5 fluid addforce 0.0001 0.0 0.0
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fix 6 all enforce2d
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compute rho all rheo/property/atom rho
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# ------ Output & Run ------ #
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thermo 200
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thermo_style custom step time ke press
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dump 1 all custom 200 atomDump id type x y vx vy fx fy c_rho
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run 20000
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CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
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Your simulation uses code contributions which should be cited:
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- @article{PalermoInPrep,
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journal = {in prep},
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title = {RHEO: A Hybrid Mesh-Free Model Framework for Dynamic Multi-Phase Flows},
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year = {2024},
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author = {Eric T. Palermo and Ki T. Wolf and Joel T. Clemmer and Thomas C. O'Connor},
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}
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CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
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Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule
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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 = 3.3
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ghost atom cutoff = 3.3
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binsize = 1.65, bins = 13 13 1
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4 neighbor lists, perpetual/occasional/extra = 4 0 0
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(1) pair rheo, perpetual, half/full from (2)
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attributes: half, newton on
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pair build: halffull/newton
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stencil: none
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bin: none
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(2) compute RHEO/KERNEL, perpetual
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attributes: full, newton on
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pair build: full/bin/atomonly
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stencil: full/bin/2d
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bin: standard
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(3) compute RHEO/GRAD, perpetual, copy from (1)
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attributes: half, newton on
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pair build: copy
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stencil: none
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bin: none
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(4) compute RHEO/VSHIFT, perpetual, copy from (1)
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attributes: half, newton on
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pair build: copy
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stencil: none
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bin: none
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Per MPI rank memory allocation (min/avg/max) = 5.693 | 5.693 | 5.693 Mbytes
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Step Time KinEng Press
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0 0 0 0
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200 20 1.2220462e-06 3.7383146e-05
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400 40 4.345762e-06 7.5866885e-05
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600 60 8.8559433e-06 0.00011353743
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800 80 1.4370506e-05 0.00015135634
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1000 100 2.0576198e-05 0.00018903722
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1200 120 2.721926e-05 0.00022533997
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1400 140 3.4099653e-05 0.00026016069
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1600 160 4.1064175e-05 0.00029445207
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1800 180 4.8001225e-05 0.00032893763
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2000 200 5.4832849e-05 0.00036402396
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2200 220 6.1508431e-05 0.00039945249
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2400 240 6.8000141e-05 0.00043534411
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2600 260 7.430136e-05 0.00046943441
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2800 280 8.0415328e-05 0.00049807225
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3000 300 8.6335032e-05 0.00051815375
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3200 320 9.2021626e-05 0.00052618224
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3400 340 9.7387936e-05 0.00051877918
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3600 360 0.00010231526 0.00048650828
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3800 380 0.00010676617 0.00044578079
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4000 400 0.00011080098 0.00044777126
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4200 420 0.00011448127 0.00047047629
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4400 440 0.00011787852 0.00050280249
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4600 460 0.00012106805 0.0005397213
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4800 480 0.00012412056 0.00057885539
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5000 500 0.0001271078 0.00061396896
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5200 520 0.00013006637 0.00063981812
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5400 540 0.00013295039 0.00065094073
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5600 560 0.00013561487 0.00063918847
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5800 580 0.00013791796 0.00059087656
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6000 600 0.00013983422 0.00052171998
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6200 620 0.00014144833 0.00050658002
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6400 640 0.00014286538 0.0005248626
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6600 660 0.00014417734 0.00055826606
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6800 680 0.00014546931 0.00060063748
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7000 700 0.00014682553 0.00064421411
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7200 720 0.0001482833 0.00068252242
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7400 740 0.00014977996 0.00070671308
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7600 760 0.00015114829 0.00069774026
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7800 780 0.0001522719 0.00064408311
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8000 800 0.00015312897 0.00055977044
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8200 820 0.00015375669 0.0005225573
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8400 840 0.00015425683 0.00053833691
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8600 860 0.00015471278 0.00057447427
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8800 880 0.0001552059 0.00061980921
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9000 900 0.00015581593 0.0006659836
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9200 920 0.0001565564 0.00070813532
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9400 940 0.00015733573 0.00073378551
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9600 960 0.00015802107 0.00071560835
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9800 980 0.00015855339 0.00065636189
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10000 1000 0.00015890743 0.0005699855
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10200 1020 0.00015908095 0.00053138971
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10400 1040 0.00015915523 0.00054790708
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10600 1060 0.00015921254 0.00058899454
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10800 1080 0.00015934193 0.00063964906
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11000 1100 0.00015959891 0.00069241358
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11200 1120 0.0001599636 0.00073734651
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11400 1140 0.00016036526 0.00074477329
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11600 1160 0.00016075471 0.00071047555
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11800 1180 0.00016109516 0.00064173183
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12000 1200 0.00016131524 0.00055500553
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12200 1220 0.00016136366 0.0005290215
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12400 1240 0.0001613025 0.00055124296
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12600 1260 0.00016123023 0.00059758627
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12800 1280 0.00016123043 0.00065488735
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13000 1300 0.00016132935 0.0007140876
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13200 1320 0.00016152165 0.00074795629
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13400 1340 0.00016180372 0.00074730778
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13600 1360 0.00016216585 0.00071370995
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13800 1380 0.0001625339 0.00065176323
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14000 1400 0.00016274999 0.00057515371
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14200 1420 0.00016271295 0.00055878258
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14400 1440 0.00016249768 0.00058448193
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14600 1460 0.00016223675 0.00063096229
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14800 1480 0.00016201846 0.00068639548
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15000 1500 0.00016190593 0.00072444357
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15200 1520 0.00016194466 0.00073830636
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15400 1540 0.00016216164 0.00072773256
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15600 1560 0.00016253174 0.00069215481
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15800 1580 0.00016290895 0.00063239408
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16000 1600 0.00016306463 0.00057466273
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16200 1620 0.00016292218 0.00057951567
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16400 1640 0.00016261117 0.00061504156
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16600 1660 0.00016225906 0.00066066637
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16800 1680 0.00016197993 0.00069751908
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17000 1700 0.0001618568 0.00072202303
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17200 1720 0.00016194264 0.00073255034
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17400 1740 0.00016225911 0.0007231031
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17600 1760 0.00016270465 0.00068931224
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17800 1780 0.00016304053 0.00062934836
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18000 1800 0.00016302624 0.00058060272
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18200 1820 0.00016274847 0.00058859513
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18400 1840 0.00016236893 0.00061804803
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18600 1860 0.00016202777 0.00065393237
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18800 1880 0.0001618184 0.00068747094
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19000 1900 0.0001618044 0.00071352541
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19200 1920 0.00016204402 0.00072351769
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19400 1940 0.00016249999 0.00071330322
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19600 1960 0.00016297924 0.00067984167
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19800 1980 0.00016317435 0.00061634142
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20000 2000 0.00016301186 0.00057234115
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Loop time of 15.6198 on 4 procs for 20000 steps with 400 atoms
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Performance: 11062881.511 tau/day, 1280.426 timesteps/s, 512.170 katom-step/s
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99.7% 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 | 2.1979 | 2.4473 | 2.6992 | 15.7 | 15.67
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Neigh | 0.024709 | 0.027006 | 0.029223 | 1.3 | 0.17
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Comm | 0.4657 | 0.71686 | 0.9662 | 29.0 | 4.59
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Output | 0.033698 | 0.036781 | 0.039359 | 1.1 | 0.24
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Modify | 12.306 | 12.313 | 12.319 | 0.2 | 78.83
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Other | | 0.07916 | | | 0.51
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Nlocal: 100 ave 107 max 93 min
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Histogram: 1 0 0 1 0 0 1 0 0 1
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Nghost: 185.5 ave 192 max 179 min
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Histogram: 1 0 0 1 0 0 1 0 0 1
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Neighs: 1712 ave 1848 max 1598 min
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Histogram: 1 0 1 0 0 1 0 0 0 1
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FullNghs: 3424 ave 3682 max 3174 min
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Histogram: 1 0 1 0 0 0 1 0 0 1
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Total # of neighbors = 13696
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Ave neighs/atom = 34.24
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Neighbor list builds = 331
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Dangerous builds = 0
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Total wall time: 0:00:15
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