LAMMPS (27 Nov 2018) 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 object: 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 0 rigid bodies with 0 atoms 2.23607 = max distance from body owner to body atom # insure 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 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: half/bin/2d/newtoff 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 130 259.24123 2.3773387e-30 5000 2000 130 465.39775 9.5010816e-30 5000 3000 130 736.55426 2.1365846e-29 5000 4000 260 1274.295 6.045774e-05 5000 5000 260 1855.4991 0.0021687846 5000 6000 260 1743.415 1.9678991 5000 7000 390 1675.8228 2.0085353 5000 8000 390 1845.2936 2.678293 5000 9000 390 1747.0301 2.5461774 5000 10000 520 2204.3744 1.3847146 5000 11000 520 1872.5943 6.5018283 5000 12000 520 1448.8705 3.2789997 5000 13000 650 1687.7845 2.4723994 5000 14000 650 1534.5832 1.7381523 5000 15000 650 1517.5812 2.4425352 5000 16000 780 1680.8761 3.5506853 5000 17000 780 1661.6046 3.6673972 5000 18000 780 1391.3201 4.1075002 5000 19000 910 1526.6687 3.410537 5000 20000 910 1387.6908 2.7370047 5000 21000 910 1056.6723 2.5690119 5000 22000 1040 1226.7461 1.2299974 5000 23000 1040 1106.7165 3.1057108 5000 24000 1040 1161.9203 2.0994962 5000 25000 1170 1187.5093 2.9596172 5000 Loop time of 1.4211 on 4 procs for 25000 steps with 1170 atoms Performance: 1519946.444 tau/day, 17591.973 timesteps/s 94.0% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 0.19053 | 0.21869 | 0.23582 | 3.7 | 15.39 Neigh | 0.06394 | 0.066575 | 0.070017 | 0.9 | 4.68 Comm | 0.055579 | 0.070079 | 0.080658 | 3.4 | 4.93 Output | 0.0012593 | 0.0031545 | 0.0088205 | 5.8 | 0.22 Modify | 0.89034 | 0.9006 | 0.91315 | 0.9 | 63.37 Other | | 0.162 | | | 11.40 Nlocal: 292.5 ave 296 max 285 min Histogram: 1 0 0 0 0 0 0 0 1 2 Nghost: 44 ave 60 max 21 min Histogram: 1 0 0 1 0 0 0 0 0 2 Neighs: 433.25 ave 449 max 418 min Histogram: 1 0 1 0 0 0 1 0 0 1 Total # of neighbors = 1733 Ave neighs/atom = 1.4812 Neighbor list builds = 1708 Dangerous builds = 0 Total wall time: 0:00:01