LAMMPS (8 Feb 2023) OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98) using 1 OpenMP thread(s) per MPI task # Pour 2d granular particles into container dimension 2 atom_style sphere atom_modify map array boundary f fm p newton off comm_modify vel yes cutoff 2.5 fix prop all property/atom mol ghost yes region reg block 0 100 0 50 -0.5 0.5 units box create_box 1 reg Created orthogonal box = (0 0 -0.5) to (100 50 0.5) 4 by 1 by 1 MPI processor grid neighbor 0.2 bin neigh_modify delay 0 # IMPORTANT NOTE: these values of stiffness (4000) and timestep (0.001) # are used in this example file to produce a quick simulation and movie. # More appropriate values for realistic simulations would be # k = 4.0e5 and dt = 0.0001, as in bench/in.chute (if it were Hertzian). pair_style gran/hertz/history 4000.0 NULL 100.0 NULL 0.5 0 pair_coeff * * timestep 0.001 fix 2 all gravity 1.0 spherical 0.0 -180.0 fix xwalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 xplane 0 100 fix ywalls all wall/gran hertz/history 4000.0 NULL 100.0 NULL 0 1 yplane 0 NULL molecule object molecule.vshape Read molecule template object: 1 molecules 0 fragments 5 atoms with max type 1 0 bonds with max type 0 0 angles with max type 0 0 dihedrals with max type 0 0 impropers with max type 0 fix 3 all rigid/small molecule mol object create bodies CPU = 0.000 seconds 0 rigid bodies with 0 atoms 2.236068 = max distance from body owner to body atom # ensure region size + molecule size does not overlap wall region slab block 3.0 97.0 30 34.5 -0.5 0.5 units box fix ins all pour 500 0 4767548 vol 0.8 10 region slab mol object rigid 3 Particle insertion: 26 every 3000 steps, 500 by step 57001 fix 4 all enforce2d compute 1 all erotate/sphere compute Tsphere all temp/sphere thermo_style custom step atoms ke c_1 vol thermo_modify lost ignore norm no temp Tsphere compute_modify Tsphere dynamic/dof yes thermo 1000 #dump id all atom 100 tmp.dump #variable colors string # "red green blue yellow white # purple pink orange lime gray" #variable mol2 atom mol%10 #dump 2 all image 250 image.*.jpg v_mol2 type # zoom 1.6 adiam 1.5 #dump_modify 2 pad 5 amap 0 10 sa 1 10 ${colors} #variable colors string # "red green blue yellow white # purple pink orange lime gray" #variable mol3 atom mol%10 #dump 3 all movie 250 movie.mpg v_mol3 type # zoom 1.6 adiam 1.5 #dump_modify 3 pad 5 amap 0 10 sa 1 10 ${colors} run 25000 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule WARNING: Gravity may not be correctly applied to rigid bodies if they consist of overlapped particles (src/RIGID/fix_rigid_small.cpp:554) Neighbor list info ... update: every = 1 steps, delay = 0 steps, check = yes max neighbors/atom: 2000, page size: 100000 master list distance cutoff = 1.2 ghost atom cutoff = 2.5 binsize = 0.6, bins = 167 84 2 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair gran/hertz/history, perpetual attributes: half, newton off, size, history pair build: half/size/bin/newtoff stencil: full/bin/2d bin: standard Per MPI rank memory allocation (min/avg/max) = 5.773 | 5.773 | 5.773 Mbytes Step Atoms KinEng c_1 Volume 0 0 -0 0 5000 1000 130 248.65568 0.002050506 5000 2000 130 452.01354 0.0020557556 5000 3000 130 720.36849 0.0021462148 5000 4000 260 1281.7126 0.0021462148 5000 5000 260 1875.9602 0.0021462148 5000 6000 260 1742.7747 2.0692779 5000 7000 390 1860.2142 1.7515066 5000 8000 390 1853.6219 2.3354959 5000 9000 390 1749.6466 5.1516327 5000 10000 520 1860.4314 4.2186838 5000 11000 520 1636.9411 4.006706 5000 12000 520 1454.1835 4.3341069 5000 13000 650 1881.6358 3.9606372 5000 14000 650 1648.6494 3.8239413 5000 15000 650 1463.0973 2.9363979 5000 16000 780 1571.0119 3.9061213 5000 17000 780 1472.941 2.0289532 5000 18000 780 1370.5265 3.1038747 5000 19000 910 1433.6728 2.7600454 5000 20000 910 1375.3629 2.9649297 5000 21000 910 1184.8017 2.5049255 5000 22000 1040 1312.0653 1.8441521 5000 23000 1040 1181.5473 1.7693597 5000 24000 1040 1263.4442 2.1476891 5000 25000 1170 1152.2404 2.4292153 5000 Loop time of 1.59966 on 4 procs for 25000 steps with 1170 atoms Performance: 1350285.365 tau/day, 15628.303 timesteps/s, 18.285 Matom-step/s 98.5% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.23769 | 0.30075 | 0.35002 | 7.5 | 18.80 Neigh | 0.048877 | 0.062647 | 0.073072 | 3.7 | 3.92 Comm | 0.075225 | 0.087826 | 0.096819 | 2.9 | 5.49 Output | 0.0010015 | 0.0011427 | 0.0015053 | 0.6 | 0.07 Modify | 0.97758 | 0.99506 | 1.0071 | 1.1 | 62.20 Other | | 0.1522 | | | 9.52 Nlocal: 292.5 ave 314 max 274 min Histogram: 1 0 0 1 0 1 0 0 0 1 Nghost: 44.5 ave 67 max 23 min Histogram: 1 0 1 0 0 0 0 1 0 1 Neighs: 430 ave 452 max 393 min Histogram: 1 0 0 0 0 0 0 2 0 1 Total # of neighbors = 1720 Ave neighs/atom = 1.4700855 Neighbor list builds = 1707 Dangerous builds = 0 Total wall time: 0:00:01