176 lines
7.1 KiB
Groff
176 lines
7.1 KiB
Groff
LAMMPS (27 Nov 2018)
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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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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: half/bin/3d/newtoff
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 5.83 | 5.83 | 5.83 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 402 768.04606 0 6600
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2000 402 1407.1714 0 6600
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3000 402 1373.819 15.59952 6600
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4000 804 1737.1399 39.311164 6600
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5000 804 1571.3184 67.501382 6600
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6000 804 1318.6439 77.636174 6600
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7000 1206 1521.8348 69.010381 6600
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8000 1206 1391.0761 64.407583 6600
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9000 1206 1264.98 50.32567 6600
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10000 1608 1462.7175 49.903609 6600
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11000 1608 1317.5878 52.401196 6600
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12000 1608 1120.9416 46.067058 6600
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13000 2010 1200.1517 49.662302 6600
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14000 2010 1180.2805 38.850379 6600
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15000 2010 970.23519 39.121533 6600
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16000 2412 1101.3888 44.051087 6600
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17000 2412 1054.4967 43.489619 6600
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18000 2412 850.25959 42.296696 6600
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19000 2814 959.68841 42.757546 6600
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20000 2814 933.72206 42.668586 6600
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21000 2814 779.2842 42.116934 6600
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22000 2814 537.68477 35.113909 6600
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23000 3000 456.26221 36.394458 6600
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24000 3000 334.38331 26.256087 6600
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25000 3000 233.7217 18.768345 6600
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Loop time of 2.79912 on 4 procs for 25000 steps with 3000 atoms
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Performance: 771671.423 tau/day, 8931.382 timesteps/s
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97.1% 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 | 1.0916 | 1.1431 | 1.1982 | 4.0 | 40.84
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Neigh | 0.37439 | 0.39186 | 0.41149 | 2.6 | 14.00
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Comm | 0.32241 | 0.32795 | 0.33831 | 1.1 | 11.72
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Output | 0.00068283 | 0.0029467 | 0.0094671 | 6.9 | 0.11
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Modify | 0.5813 | 0.5952 | 0.60947 | 1.5 | 21.26
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Other | | 0.3381 | | | 12.08
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Nlocal: 750 ave 765 max 730 min
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Histogram: 1 0 0 0 1 0 0 0 1 1
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Nghost: 390.75 ave 393 max 385 min
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Histogram: 1 0 0 0 0 0 0 0 1 2
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Neighs: 3548 ave 3643 max 3454 min
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Histogram: 1 0 1 0 0 0 0 1 0 1
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Total # of neighbors = 14192
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Ave neighs/atom = 4.73067
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Neighbor list builds = 1152
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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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Per MPI rank memory allocation (min/avg/max) = 12.16 | 12.39 | 13.06 Mbytes
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Step Atoms KinEng c_1 Volume
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25000 3000 233.7217 18.768345 6600
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26000 3000 80.58756 21.114703 6600
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27000 3000 112.90794 11.760837 6600
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28000 3000 211.68857 11.667711 6600
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29000 3000 368.27114 15.483397 6600
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30000 3000 611.33941 21.023859 6600
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31000 3000 902.04662 29.663904 6600
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32000 3000 1188.6213 31.996848 6600
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33000 3000 1626.3144 38.244424 6600
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34000 3000 2068.1939 45.793779 6600
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35000 3000 2654.4292 55.900641 6600
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36000 3000 3212.0662 64.492942 6600
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37000 3000 3942.9079 73.557353 6600
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38000 3000 4710.2169 84.24051 6600
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39000 3000 5513.597 93.737814 6600
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40000 3000 6367.338 112.43633 6600
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41000 3000 7417.7889 130.70338 6600
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42000 3000 8428.2678 124.66302 6600
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43000 3000 9498.0121 136.37107 6600
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44000 3000 10680.269 149.21074 6600
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45000 3000 11852.03 154.67802 6600
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46000 3000 12896.699 167.10324 6600
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47000 3000 14218.465 196.70386 6600
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48000 3000 15555.796 204.40316 6600
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49000 3000 16694.338 208.98934 6600
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50000 3000 17936.665 192.19442 6600
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Loop time of 5.65089 on 4 procs for 25000 steps with 3000 atoms
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Performance: 382240.368 tau/day, 4424.078 timesteps/s
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94.3% 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 | 2.5656 | 2.5853 | 2.6068 | 0.9 | 45.75
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Neigh | 0.57736 | 0.59939 | 0.61824 | 1.9 | 10.61
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Comm | 0.58146 | 0.63908 | 0.70461 | 5.5 | 11.31
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Output | 0.00081015 | 0.002184 | 0.0061922 | 5.0 | 0.04
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Modify | 0.91975 | 0.93371 | 0.95875 | 1.5 | 16.52
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Other | | 0.8912 | | | 15.77
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Nlocal: 750 ave 758 max 741 min
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Histogram: 1 0 0 0 0 2 0 0 0 1
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Nghost: 404 ave 417 max 395 min
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Histogram: 1 0 1 0 1 0 0 0 0 1
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Neighs: 3603.75 ave 3695 max 3528 min
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Histogram: 1 0 0 1 1 0 0 0 0 1
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Total # of neighbors = 14415
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Ave neighs/atom = 4.805
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Neighbor list builds = 827
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Dangerous builds = 0
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Total wall time: 0:00:08
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