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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1 by 1 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) = 5.956 | 5.956 | 5.956 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 49.189129 6600
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11000 1608 1238.0609 42.558653 6600
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12000 1608 1143.6455 41.554747 6600
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13000 2010 1229.989 49.661038 6600
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14000 2010 1176.3015 40.982761 6600
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15000 2010 1011.4718 45.872673 6600
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16000 2412 1128.8326 47.405058 6600
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17000 2412 1035.4314 40.22595 6600
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18000 2412 873.87039 40.07875 6600
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19000 2814 967.91799 41.49685 6600
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20000 2814 928.0341 39.924344 6600
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21000 2814 820.35467 37.621246 6600
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22000 2814 549.00702 41.541324 6600
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23000 3000 441.94025 41.467527 6600
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24000 3000 339.91044 25.849093 6600
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25000 3000 243.91083 20.921917 6600
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Loop time of 8.07068 on 1 procs for 25000 steps with 3000 atoms
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Performance: 267635.587 tau/day, 3097.634 timesteps/s, 9.293 Matom-step/s
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99.8% CPU use with 1 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 | 4.6682 | 4.6682 | 4.6682 | 0.0 | 57.84
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Neigh | 1.0497 | 1.0497 | 1.0497 | 0.0 | 13.01
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Comm | 0.16028 | 0.16028 | 0.16028 | 0.0 | 1.99
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Output | 0.00076244 | 0.00076244 | 0.00076244 | 0.0 | 0.01
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Modify | 2.0196 | 2.0196 | 2.0196 | 0.0 | 25.02
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Other | | 0.172 | | | 2.13
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Nlocal: 3000 ave 3000 max 3000 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 667 ave 667 max 667 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 13503 ave 13503 max 13503 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 13503
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Ave neighs/atom = 4.501
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Neighbor list builds = 1150
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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) = 10.64 | 10.64 | 10.64 Mbytes
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Step Atoms KinEng c_1 Volume
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25000 3000 243.91083 20.921917 6600
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26000 3000 111.73212 19.181089 6600
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27000 3000 175.53659 12.143401 6600
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28000 3000 315.95861 12.721047 6600
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29000 3000 516.24386 15.103525 6600
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30000 3000 779.3423 19.057186 6600
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31000 3000 1118.6219 21.320808 6600
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32000 3000 1512.8878 25.012099 6600
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33000 3000 1969.247 30.402739 6600
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34000 3000 2499.318 37.297539 6600
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35000 3000 3074.9401 45.925996 6600
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36000 3000 3768.2108 39.734162 6600
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37000 3000 4400.6971 44.337674 6600
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38000 3000 5178.4457 63.168989 6600
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39000 3000 6028.928 56.570416 6600
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40000 3000 6947.424 67.360376 6600
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41000 3000 7896.0016 69.368604 6600
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42000 3000 8977.9347 66.242546 6600
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43000 3000 10026.618 55.776273 6600
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44000 3000 11106.873 69.943396 6600
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45000 3000 12264.363 79.440158 6600
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46000 3000 13562.635 67.026549 6600
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47000 3000 14796.806 70.121289 6600
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48000 3000 16254.182 70.690438 6600
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49000 3000 17711.386 63.668043 6600
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50000 3000 19144.269 66.708659 6600
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Loop time of 17.582 on 1 procs for 25000 steps with 3000 atoms
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Performance: 122853.050 tau/day, 1421.910 timesteps/s, 4.266 Matom-step/s
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99.7% CPU use with 1 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 | 11.641 | 11.641 | 11.641 | 0.0 | 66.21
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Neigh | 1.7715 | 1.7715 | 1.7715 | 0.0 | 10.08
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Comm | 0.38219 | 0.38219 | 0.38219 | 0.0 | 2.17
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Output | 0.0010728 | 0.0010728 | 0.0010728 | 0.0 | 0.01
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Modify | 3.4549 | 3.4549 | 3.4549 | 0.0 | 19.65
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Other | | 0.3309 | | | 1.88
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Nlocal: 3000 ave 3000 max 3000 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Nghost: 748 ave 748 max 748 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 14117 ave 14117 max 14117 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 14117
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Ave neighs/atom = 4.7056667
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Neighbor list builds = 848
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Dangerous builds = 0
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Total wall time: 0:00:25
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