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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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 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 = 2.90017 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 1522.1986 68.863683 6600
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8000 1206 1387.2223 64.067846 6600
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9000 1206 1265.9044 51.726525 6600
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10000 1608 1460.3212 48.844763 6600
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11000 1608 1310.2001 53.532609 6600
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12000 1608 1134.4592 48.567743 6600
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13000 2010 1182.5037 45.620614 6600
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14000 2010 1192.4303 39.066935 6600
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15000 2010 967.05968 42.363789 6600
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16000 2412 1119.8304 39.217157 6600
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17000 2412 1063.7921 45.71714 6600
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18000 2412 855.28326 42.745948 6600
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19000 2814 970.7019 40.155896 6600
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20000 2814 923.94347 34.590568 6600
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21000 2814 793.75092 36.707509 6600
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22000 2814 543.4546 37.669131 6600
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23000 3000 446.47658 39.719019 6600
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24000 3000 331.57201 24.034747 6600
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25000 3000 239.90493 18.457205 6600
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Loop time of 9.98164 on 1 procs for 25000 steps with 3000 atoms
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Performance: 216397.236 tau/day, 2504.598 timesteps/s
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99.9% CPU use with 1 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 | 5.5892 | 5.5892 | 5.5892 | 0.0 | 55.99
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Neigh | 1.5595 | 1.5595 | 1.5595 | 0.0 | 15.62
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Comm | 0.21001 | 0.21001 | 0.21001 | 0.0 | 2.10
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Output | 0.00055695 | 0.00055695 | 0.00055695 | 0.0 | 0.01
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Modify | 2.3514 | 2.3514 | 2.3514 | 0.0 | 23.56
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Other | | 0.271 | | | 2.71
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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: 658 ave 658 max 658 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 13479 ave 13479 max 13479 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 13479
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Ave neighs/atom = 4.493
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Neighbor list builds = 1149
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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 = 7.37566 Mbytes
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Step Atoms KinEng 1 Volume
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25000 3000 239.90493 18.457205 6600
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26000 3000 86.453151 19.990229 6600
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27000 3000 104.03763 12.243926 6600
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28000 3000 187.74939 11.703132 6600
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29000 3000 316.59921 14.610301 6600
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30000 3000 520.76149 18.82089 6600
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31000 3000 821.71283 25.266473 6600
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32000 3000 1153.8578 30.714985 6600
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33000 3000 1520.1476 38.247011 6600
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34000 3000 2006.3144 44.480026 6600
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35000 3000 2556.4751 55.768118 6600
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36000 3000 3160.9914 63.728696 6600
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37000 3000 3877.5537 71.484742 6600
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38000 3000 4675.4987 79.37485 6600
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39000 3000 5479.8489 94.281786 6600
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40000 3000 6350.6439 106.39353 6600
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41000 3000 7245.0837 113.40306 6600
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42000 3000 8227.1726 129.62268 6600
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43000 3000 9422.0189 144.63991 6600
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44000 3000 10616.036 149.84326 6600
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45000 3000 11908.182 169.96204 6600
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46000 3000 13257.313 184.73533 6600
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47000 3000 14765.4 201.20237 6600
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48000 3000 16184.643 202.00907 6600
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49000 3000 17573.204 215.30429 6600
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50000 3000 19117.749 232.28939 6600
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Loop time of 19.1635 on 1 procs for 25000 steps with 3000 atoms
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Performance: 112714.075 tau/day, 1304.561 timesteps/s
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99.9% CPU use with 1 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 | 12.221 | 12.221 | 12.221 | 0.0 | 63.77
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Neigh | 2.2719 | 2.2719 | 2.2719 | 0.0 | 11.86
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Comm | 0.44526 | 0.44526 | 0.44526 | 0.0 | 2.32
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Output | 0.00094628 | 0.00094628 | 0.00094628 | 0.0 | 0.00
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Modify | 3.7599 | 3.7599 | 3.7599 | 0.0 | 19.62
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Other | | 0.4643 | | | 2.42
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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: 742 ave 742 max 742 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Neighs: 13997 ave 13997 max 13997 min
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Histogram: 1 0 0 0 0 0 0 0 0 0
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Total # of neighbors = 13997
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Ave neighs/atom = 4.66567
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Neighbor list builds = 836
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Dangerous builds = 0
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Total wall time: 0:00:29
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