179 lines
8.1 KiB
Groff
179 lines
8.1 KiB
Groff
LAMMPS (8 Feb 2023)
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OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
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using 1 OpenMP thread(s) per MPI task
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# Pour granular particles into chute container, then induce flow
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atom_style sphere
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boundary p p fm
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newton off
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comm_modify vel yes
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region reg block -10 10 -10 10 -0.5 16 units box
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create_box 1 reg
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Created orthogonal box = (-10 -10 -0.5) to (10 10 16)
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2 by 2 by 1 MPI processor grid
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neighbor 0.2 bin
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neigh_modify delay 0
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# IMPORTANT NOTE: these values of stiffness (2000) and timestep (0.001)
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# are used in this example file to produce a quick simulation and movie.
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# More appropriate values for realistic simulations would be
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# k = 2.0e5 and dt = 0.0001, as in bench/in.chute.
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pair_style gran/hooke/history 2000.0 NULL 50.0 NULL 0.5 0
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pair_coeff * *
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timestep 0.001
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fix 1 all nve/sphere
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fix 2 all gravity 1.0 spherical 0.0 -180.0
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fix zlower all wall/gran hooke/history 2000.0 NULL 50.0 NULL 0.5 0 zplane 0.0 2000.0
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region slab block -9.0 9.0 -9.0 9.0 10.0 15.0 units box
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fix ins all pour 3000 1 300719 vol 0.13 50 region slab
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Particle insertion: 402 every 3162 steps, 3000 by step 22135
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compute 1 all erotate/sphere
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thermo_style custom step atoms ke c_1 vol
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thermo 1000
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thermo_modify lost ignore norm no
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compute_modify thermo_temp dynamic/dof yes
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#dump id all atom 1000 dump.pour
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#dump 2 all image 1000 image.*.jpg type type # axes yes 0.8 0.02 view 80 -30
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#dump_modify 2 pad 5
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#dump 3 all movie 1000 movie.mpg type type # axes yes 0.8 0.02 view 80 -30
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#dump_modify 3 pad 5
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run 25000
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Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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Neighbor list info ...
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update: every = 1 steps, delay = 0 steps, check = yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 1.2
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ghost atom cutoff = 1.2
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binsize = 0.6, bins = 34 34 28
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair gran/hooke/history, perpetual
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attributes: half, newton off, size, history
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pair build: half/size/bin/newtoff
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stencil: full/bin/3d
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 5.831 | 5.831 | 5.831 Mbytes
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Step Atoms KinEng c_1 Volume
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0 0 -0 0 6600
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1000 402 753.1301 0 6600
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2000 402 1389.6785 0 6600
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3000 402 1439.3007 16.360577 6600
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4000 804 1694.9311 52.966189 6600
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5000 804 1564.7533 67.202593 6600
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6000 804 1303.6937 65.31424 6600
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7000 1206 1590.3342 63.948699 6600
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8000 1206 1489.2483 54.736993 6600
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9000 1206 1234.442 56.141183 6600
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10000 1608 1314.3588 49.189127 6600
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11000 1608 1237.9823 42.555046 6600
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12000 1608 1142.8729 41.96142 6600
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13000 2010 1230.1948 49.194135 6600
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14000 2010 1178.1648 39.43872 6600
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15000 2010 1031.6441 46.416609 6600
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16000 2412 1109.7641 45.866965 6600
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17000 2412 1047.232 38.618366 6600
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18000 2412 888.02373 41.307438 6600
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19000 2814 965.06339 40.889834 6600
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20000 2814 922.71203 40.04001 6600
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21000 2814 815.9575 38.366756 6600
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22000 2814 570.89153 37.83039 6600
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23000 3000 428.71007 37.62527 6600
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24000 3000 341.87262 24.030639 6600
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25000 3000 243.78921 22.003596 6600
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Loop time of 2.70972 on 4 procs for 25000 steps with 3000 atoms
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Performance: 797131.262 tau/day, 9226.056 timesteps/s, 27.678 Matom-step/s
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99.2% CPU use with 4 MPI tasks x 1 OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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---------------------------------------------------------------
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Pair | 1.2559 | 1.2759 | 1.2886 | 1.2 | 47.09
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Neigh | 0.29364 | 0.29822 | 0.30487 | 0.8 | 11.01
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Comm | 0.24161 | 0.25182 | 0.26235 | 1.5 | 9.29
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Output | 0.00076819 | 0.00084565 | 0.00098501 | 0.0 | 0.03
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Modify | 0.59267 | 0.61574 | 0.63388 | 2.3 | 22.72
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Other | | 0.2672 | | | 9.86
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Nlocal: 750 ave 759 max 734 min
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Histogram: 1 0 0 0 0 0 0 1 1 1
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Nghost: 381.75 ave 392 max 367 min
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Histogram: 1 0 0 0 0 0 1 1 0 1
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Neighs: 3569.75 ave 3651 max 3448 min
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Histogram: 1 0 0 0 0 0 1 1 0 1
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Total # of neighbors = 14279
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Ave neighs/atom = 4.7596667
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Neighbor list builds = 1151
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Dangerous builds = 0
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unfix ins
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fix 2 all gravity 1.0 chute 26.0
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run 25000
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Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule
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Per MPI rank memory allocation (min/avg/max) = 10.43 | 10.43 | 10.43 Mbytes
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Step Atoms KinEng c_1 Volume
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25000 3000 243.78921 22.003596 6600
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26000 3000 119.4338 18.414134 6600
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27000 3000 172.50337 12.019175 6600
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28000 3000 316.78411 12.871972 6600
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29000 3000 524.47221 16.004598 6600
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30000 3000 812.57656 20.096736 6600
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31000 3000 1181.7814 28.226314 6600
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32000 3000 1612.855 28.279192 6600
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33000 3000 2075.6364 29.358829 6600
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34000 3000 2634.5344 36.312508 6600
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35000 3000 3213.2814 43.992962 6600
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36000 3000 3900.499 38.674908 6600
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37000 3000 4594.329 46.025242 6600
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38000 3000 5367.8353 46.404081 6600
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39000 3000 6180.9788 56.484589 6600
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40000 3000 7111.5267 51.165038 6600
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41000 3000 7998.6331 65.039037 6600
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42000 3000 9037.3716 69.653749 6600
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43000 3000 10148.985 65.082635 6600
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44000 3000 11242.901 62.787818 6600
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45000 3000 12445.247 64.68269 6600
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46000 3000 13773.582 59.313484 6600
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47000 3000 15000.566 54.417728 6600
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48000 3000 16312.814 60.23943 6600
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49000 3000 17730.721 60.028021 6600
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50000 3000 19221.273 62.659312 6600
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Loop time of 5.52345 on 4 procs for 25000 steps with 3000 atoms
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Performance: 391059.670 tau/day, 4526.154 timesteps/s, 13.578 Matom-step/s
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99.3% CPU use with 4 MPI tasks x 1 OpenMP threads
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MPI task timing breakdown:
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Section | min time | avg time | max time |%varavg| %total
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Pair | 3.1235 | 3.1506 | 3.1758 | 1.1 | 57.04
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Neigh | 0.47171 | 0.47561 | 0.48174 | 0.5 | 8.61
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Comm | 0.39363 | 0.39957 | 0.4049 | 0.6 | 7.23
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Output | 0.0010759 | 0.0011654 | 0.0012802 | 0.2 | 0.02
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Modify | 0.93409 | 0.95091 | 0.96521 | 1.2 | 17.22
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Other | | 0.5456 | | | 9.88
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Nlocal: 750 ave 759 max 744 min
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Histogram: 1 0 1 1 0 0 0 0 0 1
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Nghost: 404.75 ave 411 max 402 min
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Histogram: 1 2 0 0 0 0 0 0 0 1
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Neighs: 3694.75 ave 3722 max 3672 min
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Histogram: 1 0 0 1 1 0 0 0 0 1
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Total # of neighbors = 14779
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Ave neighs/atom = 4.9263333
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Neighbor list builds = 856
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Dangerous builds = 0
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Total wall time: 0:00:08
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