196 lines
7.7 KiB
Groff
196 lines
7.7 KiB
Groff
LAMMPS (28 Mar 2023 - Development)
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# pour two types of particles (cohesive and non-cohesive) on flat wall
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variable name string pour_two_types
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atom_style sphere
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units lj
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###############################################
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# Geometry-related parameters
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###############################################
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variable boxx equal 20
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variable boxy equal 20
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variable boxz equal 30
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variable xc1 equal 0.3*${boxx}
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variable xc1 equal 0.3*20
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variable xc2 equal 0.7*${boxx}
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variable xc2 equal 0.7*20
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variable yc equal 0.5*${boxy}
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variable yc equal 0.5*20
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###############################################
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# Particle-related parameters
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###############################################
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variable rlo equal 0.25
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variable rhi equal 0.5
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variable dlo equal 2.0*${rlo}
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variable dlo equal 2.0*0.25
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variable dhi equal 2.0*${rhi}
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variable dhi equal 2.0*0.5
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variable dens equal 1.0
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variable skin equal 0.3*${rhi}
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variable skin equal 0.3*0.5
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#############
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processors * * 1
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region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz}
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region boxreg block 0 20 0 ${boxy} 0 ${boxz}
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region boxreg block 0 20 0 20 0 ${boxz}
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region boxreg block 0 20 0 20 0 30
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create_box 2 boxreg
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Created orthogonal box = (0 0 0) to (20 20 30)
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2 by 2 by 1 MPI processor grid
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change_box all boundary p p f
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Changing box ...
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pair_style granular
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pair_coeff 1 * jkr 1000.0 50.0 0.3 10 tangential mindlin 800.0 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall
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pair_coeff 2 2 hertz 200.0 20.0 tangential linear_history 300.0 1.0 0.1 rolling sds 200.0 100.0 0.1 twisting marshall
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comm_modify vel yes
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region insreg1 cylinder z ${xc1} ${yc} 5 15 ${boxz}
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region insreg1 cylinder z 6 ${yc} 5 15 ${boxz}
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region insreg1 cylinder z 6 10 5 15 ${boxz}
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region insreg1 cylinder z 6 10 5 15 30
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region insreg2 cylinder z ${xc2} ${yc} 5 15 ${boxz}
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region insreg2 cylinder z 14 ${yc} 5 15 ${boxz}
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region insreg2 cylinder z 14 10 5 15 ${boxz}
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region insreg2 cylinder z 14 10 5 15 30
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fix 1 all nve/sphere
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fix grav all gravity 10.0 vector 0 0 -1
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fix ins1 all pour 1500 1 3123 region insreg1 diam range ${dlo} ${dhi} dens ${dens} ${dens}
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fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 ${dhi} dens ${dens} ${dens}
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fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens ${dens} ${dens}
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fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 ${dens}
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fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 1
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Particle insertion: 562 every 346 steps, 1500 by step 693
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fix ins2 all pour 1500 2 3123 region insreg2 diam range ${dlo} ${dhi} dens ${dens} ${dens}
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fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 ${dhi} dens ${dens} ${dens}
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fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens ${dens} ${dens}
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fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 ${dens}
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fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 1
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Particle insertion: 562 every 346 steps, 1500 by step 693
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neighbor ${skin} bin
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neighbor 0.15 bin
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neigh_modify delay 0 every 1 check yes
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fix 3 all wall/gran granular hertz/material 1e5 1e3 0.3 tangential mindlin NULL 1.0 0.5 zplane 0 NULL
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thermo_style custom step atoms ke
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thermo_modify lost warn
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thermo 100
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timestep 0.001
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#dump 1 all custom 100 ${name}.dump id type radius mass x y z
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run 5000
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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 = 1.2035132
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ghost atom cutoff = 1.2035132
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binsize = 0.60175662, bins = 34 34 50
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair granular, perpetual
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attributes: half, newton on, size, history
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pair build: half/size/bin/newton
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stencil: half/bin/3d
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 15.03 | 15.03 | 15.03 Mbytes
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Step Atoms KinEng
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0 0 -0
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WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
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WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
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100 926 -0
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200 926 -0
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300 926 -0
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WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
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WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
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400 1498 -0
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500 1498 -0
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600 1498 -0
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WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
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WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
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700 2275 -0
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800 2275 -0
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900 2275 -0
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1000 2275 -0
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WARNING: Fewer insertions than requested (../fix_pour.cpp:681)
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1100 2954 -0
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1200 2954 -0
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1300 2954 -0
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1400 3000 -0
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1500 3000 -0
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1600 3000 -0
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1700 3000 -0
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1800 3000 -0
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1900 3000 -0
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2000 3000 -0
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2100 3000 -0
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2200 3000 -0
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2300 3000 -0
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2400 3000 -0
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2500 3000 -0
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2600 3000 -0
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2700 3000 -0
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2800 3000 -0
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2900 3000 -0
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3000 3000 -0
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3100 3000 -0
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3200 3000 -0
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3300 3000 -0
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3400 3000 -0
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3500 3000 -0
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3600 3000 -0
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3700 3000 -0
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3800 3000 -0
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3900 3000 -0
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4000 3000 -0
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4100 3000 -0
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4200 3000 -0
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4300 3000 -0
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4400 3000 -0
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4500 3000 -0
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4600 3000 -0
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4700 3000 -0
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4800 3000 -0
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4900 3000 -0
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5000 3000 -0
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Loop time of 4.13223 on 4 procs for 5000 steps with 3000 atoms
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Performance: 104544.144 tau/day, 1210.002 timesteps/s, 3.630 Matom-step/s
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98.9% 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 | 0.85927 | 1.7572 | 2.6929 | 62.8 | 42.52
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Neigh | 0.19818 | 0.26863 | 0.34064 | 11.8 | 6.50
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Comm | 0.2647 | 1.3123 | 2.3283 | 79.9 | 31.76
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Output | 0.00061316 | 0.00082693 | 0.0011984 | 0.0 | 0.02
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Modify | 0.69024 | 0.74011 | 0.783 | 3.9 | 17.91
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Other | | 0.05316 | | | 1.29
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Nlocal: 750 ave 1038 max 458 min
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Histogram: 2 0 0 0 0 0 0 0 0 2
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Nghost: 456.75 ave 516 max 411 min
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Histogram: 2 0 0 0 0 0 1 0 0 1
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Neighs: 4186.25 ave 6316 max 1939 min
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Histogram: 2 0 0 0 0 0 0 0 0 2
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Total # of neighbors = 16745
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Ave neighs/atom = 5.5816667
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Neighbor list builds = 1116
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Dangerous builds = 0
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Total wall time: 0:00:04
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