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 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) 2 by 2 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/dof 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 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule 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 = 1.2 binsize = 0.6, bins = 34 34 28 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair gran/hooke/history, perpetual attributes: half, newton off, size, history pair build: half/size/bin/newtoff stencil: full/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 5.831 | 5.831 | 5.831 Mbytes Step Atoms KinEng c_1 Volume 0 0 -0 0 6600 1000 402 753.1301 0 6600 2000 402 1389.6785 0 6600 3000 402 1439.3007 16.360577 6600 4000 804 1694.9311 52.966189 6600 5000 804 1564.7533 67.202593 6600 6000 804 1303.6937 65.31424 6600 7000 1206 1590.3342 63.948699 6600 8000 1206 1489.2483 54.736993 6600 9000 1206 1234.442 56.141183 6600 10000 1608 1314.3588 49.189127 6600 11000 1608 1237.9823 42.555046 6600 12000 1608 1142.8729 41.96142 6600 13000 2010 1230.1948 49.194135 6600 14000 2010 1178.1648 39.43872 6600 15000 2010 1031.6441 46.416609 6600 16000 2412 1109.7641 45.866965 6600 17000 2412 1047.232 38.618366 6600 18000 2412 888.02373 41.307438 6600 19000 2814 965.06339 40.889834 6600 20000 2814 922.71203 40.04001 6600 21000 2814 815.9575 38.366756 6600 22000 2814 570.89153 37.83039 6600 23000 3000 428.71007 37.62527 6600 24000 3000 341.87262 24.030639 6600 25000 3000 243.78921 22.003596 6600 Loop time of 2.70972 on 4 procs for 25000 steps with 3000 atoms Performance: 797131.262 tau/day, 9226.056 timesteps/s, 27.678 Matom-step/s 99.2% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 1.2559 | 1.2759 | 1.2886 | 1.2 | 47.09 Neigh | 0.29364 | 0.29822 | 0.30487 | 0.8 | 11.01 Comm | 0.24161 | 0.25182 | 0.26235 | 1.5 | 9.29 Output | 0.00076819 | 0.00084565 | 0.00098501 | 0.0 | 0.03 Modify | 0.59267 | 0.61574 | 0.63388 | 2.3 | 22.72 Other | | 0.2672 | | | 9.86 Nlocal: 750 ave 759 max 734 min Histogram: 1 0 0 0 0 0 0 1 1 1 Nghost: 381.75 ave 392 max 367 min Histogram: 1 0 0 0 0 0 1 1 0 1 Neighs: 3569.75 ave 3651 max 3448 min Histogram: 1 0 0 0 0 0 1 1 0 1 Total # of neighbors = 14279 Ave neighs/atom = 4.7596667 Neighbor list builds = 1151 Dangerous builds = 0 unfix ins fix 2 all gravity 1.0 chute 26.0 run 25000 Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule Per MPI rank memory allocation (min/avg/max) = 10.43 | 10.43 | 10.43 Mbytes Step Atoms KinEng c_1 Volume 25000 3000 243.78921 22.003596 6600 26000 3000 119.4338 18.414134 6600 27000 3000 172.50337 12.019175 6600 28000 3000 316.78411 12.871972 6600 29000 3000 524.47221 16.004598 6600 30000 3000 812.57656 20.096736 6600 31000 3000 1181.7814 28.226314 6600 32000 3000 1612.855 28.279192 6600 33000 3000 2075.6364 29.358829 6600 34000 3000 2634.5344 36.312508 6600 35000 3000 3213.2814 43.992962 6600 36000 3000 3900.499 38.674908 6600 37000 3000 4594.329 46.025242 6600 38000 3000 5367.8353 46.404081 6600 39000 3000 6180.9788 56.484589 6600 40000 3000 7111.5267 51.165038 6600 41000 3000 7998.6331 65.039037 6600 42000 3000 9037.3716 69.653749 6600 43000 3000 10148.985 65.082635 6600 44000 3000 11242.901 62.787818 6600 45000 3000 12445.247 64.68269 6600 46000 3000 13773.582 59.313484 6600 47000 3000 15000.566 54.417728 6600 48000 3000 16312.814 60.23943 6600 49000 3000 17730.721 60.028021 6600 50000 3000 19221.273 62.659312 6600 Loop time of 5.52345 on 4 procs for 25000 steps with 3000 atoms Performance: 391059.670 tau/day, 4526.154 timesteps/s, 13.578 Matom-step/s 99.3% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- Pair | 3.1235 | 3.1506 | 3.1758 | 1.1 | 57.04 Neigh | 0.47171 | 0.47561 | 0.48174 | 0.5 | 8.61 Comm | 0.39363 | 0.39957 | 0.4049 | 0.6 | 7.23 Output | 0.0010759 | 0.0011654 | 0.0012802 | 0.2 | 0.02 Modify | 0.93409 | 0.95091 | 0.96521 | 1.2 | 17.22 Other | | 0.5456 | | | 9.88 Nlocal: 750 ave 759 max 744 min Histogram: 1 0 1 1 0 0 0 0 0 1 Nghost: 404.75 ave 411 max 402 min Histogram: 1 2 0 0 0 0 0 0 0 1 Neighs: 3694.75 ave 3722 max 3672 min Histogram: 1 0 0 1 1 0 0 0 0 1 Total # of neighbors = 14779 Ave neighs/atom = 4.9263333 Neighbor list builds = 856 Dangerous builds = 0 Total wall time: 0:00:08