LAMMPS (28 Mar 2023 - Development) # pour two types of particles (cohesive and non-cohesive) on flat wall variable name string pour_two_types atom_style sphere units lj ############################################### # Geometry-related parameters ############################################### variable boxx equal 20 variable boxy equal 20 variable boxz equal 30 variable xc1 equal 0.3*${boxx} variable xc1 equal 0.3*20 variable xc2 equal 0.7*${boxx} variable xc2 equal 0.7*20 variable yc equal 0.5*${boxy} variable yc equal 0.5*20 ############################################### # Particle-related parameters ############################################### variable rlo equal 0.25 variable rhi equal 0.5 variable dlo equal 2.0*${rlo} variable dlo equal 2.0*0.25 variable dhi equal 2.0*${rhi} variable dhi equal 2.0*0.5 variable dens equal 1.0 variable skin equal 0.3*${rhi} variable skin equal 0.3*0.5 ############# processors * * 1 region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz} region boxreg block 0 20 0 ${boxy} 0 ${boxz} region boxreg block 0 20 0 20 0 ${boxz} region boxreg block 0 20 0 20 0 30 create_box 2 boxreg Created orthogonal box = (0 0 0) to (20 20 30) 2 by 2 by 1 MPI processor grid change_box all boundary p p f Changing box ... pair_style granular 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 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 comm_modify vel yes region insreg1 cylinder z ${xc1} ${yc} 5 15 ${boxz} region insreg1 cylinder z 6 ${yc} 5 15 ${boxz} region insreg1 cylinder z 6 10 5 15 ${boxz} region insreg1 cylinder z 6 10 5 15 30 region insreg2 cylinder z ${xc2} ${yc} 5 15 ${boxz} region insreg2 cylinder z 14 ${yc} 5 15 ${boxz} region insreg2 cylinder z 14 10 5 15 ${boxz} region insreg2 cylinder z 14 10 5 15 30 fix 1 all nve/sphere fix grav all gravity 10.0 vector 0 0 -1 fix ins1 all pour 1500 1 3123 region insreg1 diam range ${dlo} ${dhi} dens ${dens} ${dens} fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 ${dhi} dens ${dens} ${dens} fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens ${dens} ${dens} fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 ${dens} fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 1 Particle insertion: 562 every 346 steps, 1500 by step 693 fix ins2 all pour 1500 2 3123 region insreg2 diam range ${dlo} ${dhi} dens ${dens} ${dens} fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 ${dhi} dens ${dens} ${dens} fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens ${dens} ${dens} fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 ${dens} fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 1 Particle insertion: 562 every 346 steps, 1500 by step 693 neighbor ${skin} bin neighbor 0.15 bin neigh_modify delay 0 every 1 check yes fix 3 all wall/gran granular hertz/material 1e5 1e3 0.3 tangential mindlin NULL 1.0 0.5 zplane 0 NULL thermo_style custom step atoms ke thermo_modify lost warn thermo 100 timestep 0.001 #dump 1 all custom 100 ${name}.dump id type radius mass x y z run 5000 Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 1.2035132 ghost atom cutoff = 1.2035132 binsize = 0.60175662, bins = 34 34 50 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair granular, perpetual attributes: half, newton on, size, history pair build: half/size/bin/newton stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 15.03 | 15.03 | 15.03 Mbytes Step Atoms KinEng 0 0 -0 WARNING: Fewer insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681) 100 926 -0 200 926 -0 300 926 -0 WARNING: Fewer insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681) 400 1498 -0 500 1498 -0 600 1498 -0 WARNING: Fewer insertions than requested (../fix_pour.cpp:681) WARNING: Fewer insertions than requested (../fix_pour.cpp:681) 700 2275 -0 800 2275 -0 900 2275 -0 1000 2275 -0 WARNING: Fewer insertions than requested (../fix_pour.cpp:681) 1100 2954 -0 1200 2954 -0 1300 2954 -0 1400 3000 -0 1500 3000 -0 1600 3000 -0 1700 3000 -0 1800 3000 -0 1900 3000 -0 2000 3000 -0 2100 3000 -0 2200 3000 -0 2300 3000 -0 2400 3000 -0 2500 3000 -0 2600 3000 -0 2700 3000 -0 2800 3000 -0 2900 3000 -0 3000 3000 -0 3100 3000 -0 3200 3000 -0 3300 3000 -0 3400 3000 -0 3500 3000 -0 3600 3000 -0 3700 3000 -0 3800 3000 -0 3900 3000 -0 4000 3000 -0 4100 3000 -0 4200 3000 -0 4300 3000 -0 4400 3000 -0 4500 3000 -0 4600 3000 -0 4700 3000 -0 4800 3000 -0 4900 3000 -0 5000 3000 -0 Loop time of 4.13223 on 4 procs for 5000 steps with 3000 atoms Performance: 104544.144 tau/day, 1210.002 timesteps/s, 3.630 Matom-step/s 98.9% CPU use with 4 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.85927 | 1.7572 | 2.6929 | 62.8 | 42.52 Neigh | 0.19818 | 0.26863 | 0.34064 | 11.8 | 6.50 Comm | 0.2647 | 1.3123 | 2.3283 | 79.9 | 31.76 Output | 0.00061316 | 0.00082693 | 0.0011984 | 0.0 | 0.02 Modify | 0.69024 | 0.74011 | 0.783 | 3.9 | 17.91 Other | | 0.05316 | | | 1.29 Nlocal: 750 ave 1038 max 458 min Histogram: 2 0 0 0 0 0 0 0 0 2 Nghost: 456.75 ave 516 max 411 min Histogram: 2 0 0 0 0 0 1 0 0 1 Neighs: 4186.25 ave 6316 max 1939 min Histogram: 2 0 0 0 0 0 0 0 0 2 Total # of neighbors = 16745 Ave neighs/atom = 5.5816667 Neighbor list builds = 1116 Dangerous builds = 0 Total wall time: 0:00:04