LAMMPS (29 Oct 2020) using 1 OpenMP thread(s) per MPI task # 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 = (0.0000000 0.0000000 0.0000000) to (20.000000 20.000000 30.000000) 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 Neighbor list info ... update every 1 steps, delay 0 steps, check yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 1.15 ghost atom cutoff = 1.15 binsize = 0.575, bins = 35 35 53 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/newton bin: standard Per MPI rank memory allocation (min/avg/max) = 11.98 | 11.98 | 11.98 Mbytes Step Atoms KinEng 0 0 -0 100 926 -0 200 926 -0 300 926 -0 400 1498 -0 500 1498 -0 600 1498 -0 700 2275 -0 800 2275 -0 900 2275 -0 1000 2275 -0 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 12.1982 on 4 procs for 5000 steps with 3000 atoms Performance: 35414.923 tau/day, 409.895 timesteps/s 97.0% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 1.7141 | 3.8131 | 6.2143 | 107.3 | 31.26 Neigh | 0.77648 | 0.96585 | 1.1892 | 18.3 | 7.92 Comm | 0.7427 | 3.5566 | 5.9731 | 128.4 | 29.16 Output | 0.0067544 | 0.0086352 | 0.011408 | 1.8 | 0.07 Modify | 3.3476 | 3.5826 | 3.8235 | 11.5 | 29.37 Other | | 0.2715 | | | 2.23 Nlocal: 750.000 ave 1033 max 463 min Histogram: 2 0 0 0 0 0 0 0 0 2 Nghost: 435.000 ave 492 max 378 min Histogram: 2 0 0 0 0 0 0 0 0 2 Neighs: 4434.50 ave 7028 max 1967 min Histogram: 2 0 0 0 0 0 0 0 0 2 Total # of neighbors = 17738 Ave neighs/atom = 5.9126667 Neighbor list builds = 1139 Dangerous builds = 0 Total wall time: 0:00:12