LAMMPS (5 Oct 2016) # Pour granular particles into chute container, then induce flow atom_style sphere boundary p p fm newton off comm_modify vel yes region reg block -10 10 -10 10 -0.5 16 units box create_box 1 reg Created orthogonal box = (-10 -10 -0.5) to (10 10 16) 1 by 1 by 1 MPI processor grid neighbor 0.2 bin neigh_modify delay 0 # IMPORTANT NOTE: these values of stiffness (2000) 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 = 2.0e5 and dt = 0.0001, as in bench/in.chute. pair_style gran/hooke/history 2000.0 NULL 50.0 NULL 0.5 0 pair_coeff * * timestep 0.001 fix 1 all nve/sphere fix 2 all gravity 1.0 spherical 0.0 -180.0 fix zlower all wall/gran hooke/history 2000.0 NULL 50.0 NULL 0.5 0 zplane 0.0 2000.0 region slab block -9.0 9.0 -9.0 9.0 10.0 15.0 units box fix ins all pour 3000 1 300719 vol 0.13 50 region slab Particle insertion: 402 every 3162 steps, 3000 by step 22135 compute 1 all erotate/sphere thermo_style custom step atoms ke c_1 vol thermo 1000 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes #dump id all atom 1000 dump.pour #dump 2 all image 1000 image.*.jpg type type # axes yes 0.8 0.02 view 80 -30 #dump_modify 2 pad 5 #dump 3 all movie 1000 movie.mpg type type # axes yes 0.8 0.02 view 80 -30 #dump_modify 3 pad 5 run 25000 Neighbor list info ... 2 neighbor list requests 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 = 1.2 binsize = 0.6 -> bins = 34 34 28 Memory usage per processor = 2.90017 Mbytes Step Atoms KinEng c_1 Volume 0 0 -0 0 6600 1000 402 768.04606 0 6600 2000 402 1407.1714 0 6600 3000 402 1373.819 15.59952 6600 4000 804 1737.1399 39.311164 6600 5000 804 1571.3184 67.501382 6600 6000 804 1318.6439 77.636174 6600 7000 1206 1522.1986 68.863683 6600 8000 1206 1387.2223 64.067846 6600 9000 1206 1265.9044 51.726525 6600 10000 1608 1460.3212 48.844763 6600 11000 1608 1310.2001 53.532609 6600 12000 1608 1134.4592 48.567743 6600 13000 2010 1182.5037 45.620614 6600 14000 2010 1192.4303 39.066935 6600 15000 2010 967.05968 42.363789 6600 16000 2412 1119.8304 39.217157 6600 17000 2412 1063.7921 45.71714 6600 18000 2412 855.28326 42.745948 6600 19000 2814 970.7019 40.155896 6600 20000 2814 923.94347 34.590568 6600 21000 2814 793.75092 36.707509 6600 22000 2814 543.4546 37.669131 6600 23000 3000 446.47658 39.719019 6600 24000 3000 331.57201 24.034747 6600 25000 3000 239.90493 18.457205 6600 Loop time of 9.8391 on 1 procs for 25000 steps with 3000 atoms Performance: 219532.250 tau/day, 2540.883 timesteps/s 99.9% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 5.5009 | 5.5009 | 5.5009 | 0.0 | 55.91 Neigh | 1.57 | 1.57 | 1.57 | 0.0 | 15.96 Comm | 0.20079 | 0.20079 | 0.20079 | 0.0 | 2.04 Output | 0.00048852 | 0.00048852 | 0.00048852 | 0.0 | 0.00 Modify | 2.2916 | 2.2916 | 2.2916 | 0.0 | 23.29 Other | | 0.2752 | | | 2.80 Nlocal: 3000 ave 3000 max 3000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 658 ave 658 max 658 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 13479 ave 13479 max 13479 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 13479 Ave neighs/atom = 4.493 Neighbor list builds = 1149 Dangerous builds = 0 unfix ins fix 2 all gravity 1.0 chute 26.0 run 25000 Memory usage per processor = 7.31316 Mbytes Step Atoms KinEng c_1 Volume 25000 3000 239.90493 18.457205 6600 26000 3000 86.453151 19.990229 6600 27000 3000 104.03763 12.243926 6600 28000 3000 187.74939 11.703132 6600 29000 3000 316.59921 14.610301 6600 30000 3000 520.76149 18.82089 6600 31000 3000 821.71283 25.266473 6600 32000 3000 1153.8578 30.714985 6600 33000 3000 1520.1476 38.247011 6600 34000 3000 2006.3144 44.480026 6600 35000 3000 2556.4751 55.768118 6600 36000 3000 3160.9914 63.728696 6600 37000 3000 3877.5537 71.484742 6600 38000 3000 4675.4987 79.37485 6600 39000 3000 5479.8489 94.281786 6600 40000 3000 6350.6439 106.39353 6600 41000 3000 7245.0837 113.40306 6600 42000 3000 8227.1726 129.62268 6600 43000 3000 9422.0189 144.63991 6600 44000 3000 10616.036 149.84326 6600 45000 3000 11908.182 169.96204 6600 46000 3000 13257.313 184.73533 6600 47000 3000 14765.4 201.20237 6600 48000 3000 16184.643 202.00907 6600 49000 3000 17573.204 215.30429 6600 50000 3000 19117.749 232.28939 6600 Loop time of 18.9367 on 1 procs for 25000 steps with 3000 atoms Performance: 114064.182 tau/day, 1320.187 timesteps/s 99.9% CPU use with 1 MPI tasks x no OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 12.058 | 12.058 | 12.058 | 0.0 | 63.68 Neigh | 2.3177 | 2.3177 | 2.3177 | 0.0 | 12.24 Comm | 0.4221 | 0.4221 | 0.4221 | 0.0 | 2.23 Output | 0.00076723 | 0.00076723 | 0.00076723 | 0.0 | 0.00 Modify | 3.6817 | 3.6817 | 3.6817 | 0.0 | 19.44 Other | | 0.4563 | | | 2.41 Nlocal: 3000 ave 3000 max 3000 min Histogram: 1 0 0 0 0 0 0 0 0 0 Nghost: 742 ave 742 max 742 min Histogram: 1 0 0 0 0 0 0 0 0 0 Neighs: 13997 ave 13997 max 13997 min Histogram: 1 0 0 0 0 0 0 0 0 0 Total # of neighbors = 13997 Ave neighs/atom = 4.66567 Neighbor list builds = 836 Dangerous builds = 0 Total wall time: 0:00:28