forked from lijiext/lammps
170 lines
6.8 KiB
Groff
170 lines
6.8 KiB
Groff
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LAMMPS (15 Feb 2016)
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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 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 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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2 neighbor list requests
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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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Memory usage per processor = 2.77531 Mbytes
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Step Atoms KinEng 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 2.97699 on 4 procs for 25000 steps with 3000 atoms
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Performance: 725563.868 tau/day, 8397.730 timesteps/s
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99.6% CPU use with 4 MPI tasks x no 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 | 1.3818 | 1.4161 | 1.4613 | 2.9 | 47.57
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Neigh | 0.39047 | 0.40059 | 0.40954 | 1.3 | 13.46
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Comm | 0.30601 | 0.31937 | 0.33453 | 2.2 | 10.73
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Output | 0.00056505 | 0.00065571 | 0.00070286 | 0.2 | 0.02
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Modify | 0.60454 | 0.61377 | 0.62323 | 1.1 | 20.62
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Other | | 0.2265 | | | 7.61
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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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Memory usage per processor = 7.22932 Mbytes
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Step Atoms KinEng 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 5.6096 on 4 procs for 25000 steps with 3000 atoms
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Performance: 385054.499 tau/day, 4456.649 timesteps/s
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99.5% CPU use with 4 MPI tasks x no 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 | 3.0572 | 3.1012 | 3.1483 | 1.8 | 55.28
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Neigh | 0.57694 | 0.58054 | 0.5881 | 0.6 | 10.35
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Comm | 0.52065 | 0.53928 | 0.55884 | 1.8 | 9.61
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Output | 0.00074744 | 0.00090379 | 0.0011649 | 0.5 | 0.02
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Modify | 0.94697 | 0.95569 | 0.96864 | 0.9 | 17.04
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Other | | 0.432 | | | 7.70
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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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