LAMMPS (29 Mar 2019) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:88) 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 0 0) to (20 20 30) 2 by 2 by 1 MPI processor grid change_box all boundary p p f 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 comm_modify vel yes neighbor ${skin} bin neighbor 0.15 bin neigh_modify delay 0 every 1 check yes 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 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 cpu 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 dump 1 all custom 100 pour_two_types.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 CPU Atoms KinEng 0 0 0 -0 100 0.11584234 855 -0 200 0.12743592 855 -0 300 0.13925815 855 -0 400 0.35203671 1500 -0 500 0.37055922 1500 -0 600 0.38671875 1500 -0 700 0.71736908 2288 -0 800 0.74506783 2288 -0 900 0.77112222 2288 -0 1000 0.79632139 2288 -0 1100 1.0384252 2845 -0 1200 1.08093 2845 -0 1300 1.1224561 2845 -0 1400 1.1811485 3000 -0 1500 1.2414908 3000 -0 1600 1.3105879 3000 -0 1700 1.390928 3000 -0 1800 1.4869275 3000 -0 1900 1.5958266 3000 -0 2000 1.7172487 3000 -0 2100 1.851155 3000 -0 2200 1.9957182 3000 -0 2300 2.1593764 3000 -0 2400 2.3433132 3000 -0 2500 2.532742 3000 -0 2600 2.7376895 3000 -0 2700 2.9463468 3000 -0 2800 3.1645725 3000 -0 2900 3.3879526 3000 -0 3000 3.6152103 3000 -0 3100 3.8467371 3000 -0 3200 4.0787683 3000 -0 3300 4.3097105 3000 -0 3400 4.5423617 3000 -0 3500 4.7773693 3000 -0 3600 5.0127218 3000 -0 3700 5.2519271 3000 -0 3800 5.4951298 3000 -0 3900 5.7210469 3000 -0 4000 5.9432652 3000 -0 4100 6.1687591 3000 -0 4200 6.3942792 3000 -0 4300 6.6331475 3000 -0 4400 6.8632154 3000 -0 4500 7.0979366 3000 -0 4600 7.3305347 3000 -0 4700 7.5670528 3000 -0 4800 7.8086057 3000 -0 4900 8.0407174 3000 -0 5000 8.2765219 3000 -0 Loop time of 8.27669 on 4 procs for 5000 steps with 3000 atoms Performance: 52194.788 tau/day, 604.106 timesteps/s 97.7% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 1.6106 | 3.4073 | 5.4191 | 95.7 | 41.17 Neigh | 0.51456 | 0.64572 | 0.81542 | 16.6 | 7.80 Comm | 0.2808 | 2.5222 | 4.4998 | 121.9 | 30.47 Output | 0.15695 | 0.15919 | 0.16502 | 0.8 | 1.92 Modify | 1.3517 | 1.4192 | 1.4904 | 4.9 | 17.15 Other | | 0.123 | | | 1.49 Nlocal: 750 ave 1036 max 482 min Histogram: 2 0 0 0 0 0 0 0 1 1 Nghost: 429.75 ave 475 max 386 min Histogram: 2 0 0 0 0 0 0 0 0 2 Neighs: 4051.75 ave 6274 max 2057 min Histogram: 2 0 0 0 0 0 0 0 1 1 Total # of neighbors = 16207 Ave neighs/atom = 5.40233 Neighbor list builds = 1165 Dangerous builds = 0 Total wall time: 0:00:08