git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5852 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2011-03-26 23:02:38 +00:00
parent 06737e36b0
commit a290cc6874
88 changed files with 28315 additions and 0 deletions

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LAMMPS (27 Mar 2011)
# Pour granular particles into chute container, then induce flow
atom_style granular
boundary p p fm
newton off
communicate single vel yes
region reg block -10 10 -10 10 -0.5 16 units box
create_box 1 reg
Created orthogonal box = (-10 -10 -0.5) to (10 10 16)
1 by 1 by 1 processor grid
neighbor 0.2 bin
neigh_modify delay 0
# IMPORTANT NOTE: these values of stiffness (2000) and timestep (0.001)
# are used in this example file to produce a quick simulation and movie.
# More appropriate values for realistic simulations would be
# k = 2.0e5 and dt = 0.0001, as in bench/in.chute.
pair_style gran/hooke/history 2000.0 NULL 50.0 NULL 0.5 0
pair_coeff * *
timestep 0.001
fix 1 all nve/sphere
fix 2 all gravity 1.0 spherical 0.0 -180.0
fix zlower all wall/gran 2000.0 NULL 50.0 NULL 0.5 0 zplane 0.0 2000.0
region slab block -9.0 9.0 -9.0 9.0 10.0 15.0 units box
fix ins all pour 3000 1 300719 vol 0.13 50 region slab
Particle insertion: 402 every 3162 steps, 3000 by step 22135
compute 1 all erotate/sphere
thermo_style custom step atoms ke c_1 vol
thermo 1000
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes
dump id all atom 1000 dump.pour
run 25000
Memory usage per processor = 9.53798 Mbytes
Step Atoms KinEng 1 Volume
0 0 -0 0 6600
1000 402 779.98578 0 6600
2000 402 1424.4252 0 6600
3000 402 1425.0863 12.9927 6600
4000 804 1724.8532 47.325647 6600
5000 804 1598.6681 64.779741 6600
6000 804 1364.8231 61.75911 6600
7000 1206 1519.7287 69.028648 6600
8000 1206 1409.6162 62.604955 6600
9000 1206 1243.5289 52.989305 6600
10000 1608 1403.0711 56.9465 6600
11000 1608 1225.8111 52.938639 6600
12000 1608 1180.1935 40.544973 6600
13000 2010 1328.8958 49.216222 6600
14000 2010 1178.4104 44.431482 6600
15000 2010 998.18775 45.388975 6600
16000 2412 1050.7228 44.704814 6600
17000 2412 1025.5915 40.030825 6600
18000 2412 919.51551 36.650545 6600
19000 2814 1006.5829 41.592546 6600
20000 2814 964.34863 40.248622 6600
21000 2814 755.00069 47.423444 6600
22000 2814 516.03089 37.374261 6600
23000 3000 412.07349 38.529474 6600
24000 3000 352.98971 25.413823 6600
25000 3000 224.4892 26.293648 6600
Loop time of 16.2706 on 1 procs for 25000 steps with 3000 atoms
Pair time (%) = 9.93414 (61.0559)
Neigh time (%) = 1.52613 (9.37968)
Comm time (%) = 0.33667 (2.06919)
Outpt time (%) = 0.0725436 (0.445858)
Other time (%) = 4.40109 (27.0494)
Nlocal: 3000 ave 3000 max 3000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 675 ave 675 max 675 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 13593 ave 13593 max 13593 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 13593
Ave neighs/atom = 4.531
Neighbor list builds = 1154
Dangerous builds = 0
unfix ins
fix 2 all gravity 1.0 chute 26.0
run 25000
Memory usage per processor = 10.3382 Mbytes
Step Atoms KinEng 1 Volume
25000 3000 224.4892 26.293648 6600
26000 3000 109.35155 19.099437 6600
27000 3000 106.58675 12.27262 6600
28000 3000 183.89427 10.880842 6600
29000 3000 292.94648 11.873629 6600
30000 3000 464.71914 16.448049 6600
31000 3000 686.57043 21.625578 6600
32000 3000 928.71115 29.23142 6600
33000 3000 1306.1411 35.231678 6600
34000 3000 1749.5669 40.390136 6600
35000 3000 2276.5984 52.718937 6600
36000 3000 2903.9133 59.451797 6600
37000 3000 3546.0796 61.447694 6600
38000 3000 4236.2302 80.403853 6600
39000 3000 5094.5896 91.929565 6600
40000 3000 5945.8279 104.35396 6600
41000 3000 6966.1795 111.16923 6600
42000 3000 8070.0072 125.57778 6600
43000 3000 9283.327 145.20852 6600
44000 3000 10603.168 165.13356 6600
45000 3000 11844.495 162.80115 6600
46000 3000 13223.004 179.54672 6600
47000 3000 14640.883 189.5725 6600
48000 3000 16191.178 222.62089 6600
49000 3000 17788.584 221.35968 6600
50000 3000 19393.123 255.33084 6600
Loop time of 31.9877 on 1 procs for 25000 steps with 3000 atoms
Pair time (%) = 21.7568 (68.0161)
Neigh time (%) = 2.29067 (7.1611)
Comm time (%) = 0.723586 (2.26207)
Outpt time (%) = 0.118071 (0.369114)
Other time (%) = 7.09858 (22.1916)
Nlocal: 3000 ave 3000 max 3000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 763 ave 763 max 763 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 14168 ave 14168 max 14168 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14168
Ave neighs/atom = 4.72267
Neighbor list builds = 807
Dangerous builds = 0

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LAMMPS (27 Mar 2011)
# Pour granular particles into chute container, then induce flow
atom_style granular
boundary p p fm
newton off
communicate single vel yes
region reg block -10 10 -10 10 -0.5 16 units box
create_box 1 reg
Created orthogonal box = (-10 -10 -0.5) to (10 10 16)
2 by 2 by 1 processor grid
neighbor 0.2 bin
neigh_modify delay 0
# IMPORTANT NOTE: these values of stiffness (2000) and timestep (0.001)
# are used in this example file to produce a quick simulation and movie.
# More appropriate values for realistic simulations would be
# k = 2.0e5 and dt = 0.0001, as in bench/in.chute.
pair_style gran/hooke/history 2000.0 NULL 50.0 NULL 0.5 0
pair_coeff * *
timestep 0.001
fix 1 all nve/sphere
fix 2 all gravity 1.0 spherical 0.0 -180.0
fix zlower all wall/gran 2000.0 NULL 50.0 NULL 0.5 0 zplane 0.0 2000.0
region slab block -9.0 9.0 -9.0 9.0 10.0 15.0 units box
fix ins all pour 3000 1 300719 vol 0.13 50 region slab
Particle insertion: 402 every 3162 steps, 3000 by step 22135
compute 1 all erotate/sphere
thermo_style custom step atoms ke c_1 vol
thermo 1000
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes
dump id all atom 1000 dump.pour
run 25000
Memory usage per processor = 9.4131 Mbytes
Step Atoms KinEng 1 Volume
0 0 -0 0 6600
1000 402 779.98578 0 6600
2000 402 1424.4252 0 6600
3000 402 1425.0863 12.9927 6600
4000 804 1724.8627 47.36161 6600
5000 804 1599.9516 63.808734 6600
6000 804 1359.1774 63.495338 6600
7000 1206 1532.7896 68.602762 6600
8000 1206 1403.019 62.696462 6600
9000 1206 1246.5766 52.235655 6600
10000 1608 1384.2206 51.017669 6600
11000 1608 1247.6415 50.760042 6600
12000 1608 1195.7464 41.478899 6600
13000 2010 1319.9158 53.65564 6600
14000 2010 1195.3567 44.039046 6600
15000 2010 978.10764 39.976633 6600
16000 2412 1050.2028 45.306777 6600
17000 2412 1042.2556 39.814723 6600
18000 2412 894.58742 40.161025 6600
19000 2814 1009.3277 35.382235 6600
20000 2814 959.77476 43.212143 6600
21000 2814 757.47849 39.534175 6600
22000 2814 516.06689 40.398841 6600
23000 3000 425.8695 34.108574 6600
24000 3000 364.2896 21.08092 6600
25000 3000 233.88996 22.425122 6600
Loop time of 5.35857 on 4 procs for 25000 steps with 3000 atoms
Pair time (%) = 2.58517 (48.2436)
Neigh time (%) = 0.38742 (7.22992)
Comm time (%) = 0.998725 (18.6379)
Outpt time (%) = 0.0733539 (1.36891)
Other time (%) = 1.3139 (24.5197)
Nlocal: 750 ave 756 max 739 min
Histogram: 1 0 0 0 0 1 0 0 0 2
Nghost: 393.25 ave 396 max 391 min
Histogram: 1 0 1 0 0 0 1 0 0 1
Neighs: 3579.5 ave 3599 max 3555 min
Histogram: 1 0 0 1 0 0 0 0 1 1
Total # of neighbors = 14318
Ave neighs/atom = 4.77267
Neighbor list builds = 1152
Dangerous builds = 0
unfix ins
fix 2 all gravity 1.0 chute 26.0
run 25000
Memory usage per processor = 10.193 Mbytes
Step Atoms KinEng 1 Volume
25000 3000 233.88996 22.425122 6600
26000 3000 94.802134 17.549122 6600
27000 3000 84.658562 11.506407 6600
28000 3000 149.0234 10.886705 6600
29000 3000 243.83101 12.132532 6600
30000 3000 381.15166 15.317159 6600
31000 3000 587.71932 21.367984 6600
32000 3000 826.0934 26.605551 6600
33000 3000 1140.3342 31.96551 6600
34000 3000 1505.7889 37.710536 6600
35000 3000 1960.1845 45.237554 6600
36000 3000 2472.9089 53.069981 6600
37000 3000 3112.7739 62.581623 6600
38000 3000 3734.7804 67.445495 6600
39000 3000 4500.8872 84.18578 6600
40000 3000 5355.3316 93.151633 6600
41000 3000 6255.1324 108.97752 6600
42000 3000 7324.1987 117.58036 6600
43000 3000 8367.5898 121.51706 6600
44000 3000 9496.1313 142.43277 6600
45000 3000 10606.37 154.24175 6600
46000 3000 11882.466 176.47919 6600
47000 3000 13234.56 183.71094 6600
48000 3000 14627.514 184.71949 6600
49000 3000 16011.412 206.20932 6600
50000 3000 17388.366 220.15287 6600
Loop time of 10.2705 on 4 procs for 25000 steps with 3000 atoms
Pair time (%) = 5.70912 (55.5874)
Neigh time (%) = 0.565246 (5.50358)
Comm time (%) = 1.71767 (16.7243)
Outpt time (%) = 0.119911 (1.16752)
Other time (%) = 2.15857 (21.0172)
Nlocal: 750 ave 763 max 736 min
Histogram: 1 0 0 0 1 0 1 0 0 1
Nghost: 398.5 ave 403 max 392 min
Histogram: 1 0 0 0 0 0 1 1 0 1
Neighs: 3670 ave 3803 max 3551 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Total # of neighbors = 14680
Ave neighs/atom = 4.89333
Neighbor list builds = 784
Dangerous builds = 0

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LAMMPS (27 Mar 2011)
# Pour 2d granular particles into container
dimension 2
atom_style granular
boundary f fm p
newton off
communicate single vel yes
region reg block 0 100 0 50 -0.5 0.5 units box
create_box 1 reg
Created orthogonal box = (0 0 -0.5) to (100 50 0.5)
1 by 1 by 1 processor grid
neighbor 0.2 bin
neigh_modify delay 0
# IMPORTANT NOTE: these values of stiffness (4000) and timestep (0.001)
# are used in this example file to produce a quick simulation and movie.
# More appropriate values for realistic simulations would be
# k = 4.0e5 and dt = 0.0001, as in bench/in.chute (if it were Hertzian).
pair_style gran/hertz/history 4000.0 NULL 100.0 NULL 0.5 0
pair_coeff * *
timestep 0.001
fix 1 all nve/sphere
fix 2 all gravity 1.0 spherical 0.0 -180.0
fix xwalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 xplane 0 100
fix ywalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 yplane 0 NULL
region slab block 1.0 99.0 30 34.5 -0.5 0.5 units box
fix ins all pour 1000 1 4767548 vol 0.4 10 diam 0.5 1.0 region slab
Particle insertion: 224 every 3000 steps, 1000 by step 12001
fix 3 all enforce2d
compute 1 all erotate/sphere
thermo_style custom step atoms ke c_1 vol
thermo 1000
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes
dump id all atom 250 dump.pour
run 25000
Memory usage per processor = 9.65629 Mbytes
Step Atoms KinEng 1 Volume
0 0 -0 0 5000
1000 224 185.87695 0 5000
2000 224 348.08417 0 5000
3000 224 565.2162 0 5000
4000 448 1042.9716 0 5000
5000 448 1542.0614 0 5000
6000 448 1766.5136 41.192729 5000
7000 672 1846.4596 67.352592 5000
8000 672 1814.3429 92.898167 5000
9000 672 1662.3648 111.88801 5000
10000 896 1655.1664 91.582952 5000
11000 896 1550.2423 70.438544 5000
12000 896 1488.1978 65.021653 5000
13000 1000 1482.2858 69.55715 5000
14000 1000 1355.7496 55.162745 5000
15000 1000 1137.9735 56.730082 5000
16000 1000 778.31206 50.833407 5000
17000 1000 460.23433 41.153574 5000
18000 1000 332.84841 29.77631 5000
19000 1000 145.02651 27.327555 5000
20000 1000 41.913445 19.800906 5000
21000 1000 20.443051 12.249147 5000
22000 1000 15.845191 9.3147926 5000
23000 1000 13.747307 6.6221816 5000
24000 1000 12.729284 4.9740484 5000
25000 1000 9.7364787 3.6669868 5000
Loop time of 5.29054 on 1 procs for 25000 steps with 1000 atoms
Pair time (%) = 2.4216 (45.7723)
Neigh time (%) = 0.442273 (8.35969)
Comm time (%) = 0.0201485 (0.38084)
Outpt time (%) = 0.124567 (2.35452)
Other time (%) = 2.28195 (43.1327)
Nlocal: 1000 ave 1000 max 1000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 2371 ave 2371 max 2371 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 2371
Ave neighs/atom = 2.371
Neighbor list builds = 2038
Dangerous builds = 0

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LAMMPS (27 Mar 2011)
# Pour 2d granular particles into container
dimension 2
atom_style granular
boundary f fm p
newton off
communicate single vel yes
region reg block 0 100 0 50 -0.5 0.5 units box
create_box 1 reg
Created orthogonal box = (0 0 -0.5) to (100 50 0.5)
2 by 2 by 1 processor grid
neighbor 0.2 bin
neigh_modify delay 0
# IMPORTANT NOTE: these values of stiffness (4000) and timestep (0.001)
# are used in this example file to produce a quick simulation and movie.
# More appropriate values for realistic simulations would be
# k = 4.0e5 and dt = 0.0001, as in bench/in.chute (if it were Hertzian).
pair_style gran/hertz/history 4000.0 NULL 100.0 NULL 0.5 0
pair_coeff * *
timestep 0.001
fix 1 all nve/sphere
fix 2 all gravity 1.0 spherical 0.0 -180.0
fix xwalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 xplane 0 100
fix ywalls all wall/gran 4000.0 NULL 100.0 NULL 0 1 yplane 0 NULL
region slab block 1.0 99.0 30 34.5 -0.5 0.5 units box
fix ins all pour 1000 1 4767548 vol 0.4 10 diam 0.5 1.0 region slab
Particle insertion: 224 every 3000 steps, 1000 by step 12001
fix 3 all enforce2d
compute 1 all erotate/sphere
thermo_style custom step atoms ke c_1 vol
thermo 1000
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes
dump id all atom 250 dump.pour
run 25000
Memory usage per processor = 9.62945 Mbytes
Step Atoms KinEng 1 Volume
0 0 -0 0 5000
1000 224 185.87695 0 5000
2000 224 348.08417 0 5000
3000 224 565.2162 0 5000
4000 448 1042.9716 0 5000
5000 448 1542.0614 0 5000
6000 448 1766.5136 41.192729 5000
7000 672 1846.4596 67.352592 5000
8000 672 1814.3429 92.898167 5000
9000 672 1662.3648 111.88801 5000
10000 896 1655.1664 91.582951 5000
11000 896 1550.2472 70.43916 5000
12000 896 1486.6001 65.153062 5000
13000 1000 1476.4232 71.426666 5000
14000 1000 1349.7768 53.749226 5000
15000 1000 1107.954 60.40274 5000
16000 1000 774.48863 54.712077 5000
17000 1000 441.06089 41.934396 5000
18000 1000 325.90138 28.773792 5000
19000 1000 150.83424 30.229981 5000
20000 1000 34.992857 16.39147 5000
21000 1000 22.700146 10.795777 5000
22000 1000 17.092041 8.5901648 5000
23000 1000 12.187351 6.5022377 5000
24000 1000 9.5515285 4.4264435 5000
25000 1000 8.5321058 4.1425938 5000
Loop time of 2.89865 on 4 procs for 25000 steps with 1000 atoms
Pair time (%) = 0.607728 (20.9659)
Neigh time (%) = 0.112781 (3.89081)
Comm time (%) = 0.193524 (6.67636)
Outpt time (%) = 0.103656 (3.57601)
Other time (%) = 1.88096 (64.8909)
Nlocal: 250 ave 503 max 0 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Nghost: 5.25 ave 11 max 0 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Neighs: 598.5 ave 1221 max 0 min
Histogram: 2 0 0 0 0 0 0 0 0 2
Total # of neighbors = 2394
Ave neighs/atom = 2.394
Neighbor list builds = 2033
Dangerous builds = 0