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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13470 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2015-05-15 19:27:25 +00:00
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147
examples/pour/log.pour.1Feb14.linux.1
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LAMMPS (1 Feb 2014)
# Pour granular particles into chute container, then induce flow
atom_style sphere
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 MPI 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
#dump 2 all image 1000 image.*.jpg type type # axes yes 0.8 0.02 view 80 -30
#dump_modify 2 pad 5
#dump 3 all movie 1000 movie.mpg type type # axes yes 0.8 0.02 view 80 -30
#dump_modify 3 pad 5
run 25000
Memory usage per processor = 8.27911 Mbytes
Step Atoms KinEng 1 Volume
0 0 -0 0 6600
1000 402 768.04606 0 6600
2000 402 1407.1714 0 6600
3000 402 1373.819 15.59952 6600
4000 804 1737.1399 39.311164 6600
5000 804 1571.3184 67.501382 6600
6000 804 1318.6439 77.636174 6600
7000 1206 1522.1986 68.863683 6600
8000 1206 1387.2223 64.067846 6600
9000 1206 1265.901 51.727094 6600
10000 1608 1460.2854 48.630285 6600
11000 1608 1310.6204 52.851955 6600
12000 1608 1128.6198 46.139167 6600
13000 2010 1178.8622 50.202317 6600
14000 2010 1187.0109 39.476651 6600
15000 2010 989.72713 38.740987 6600
16000 2412 1120.2349 40.342828 6600
17000 2412 1075.0554 39.589605 6600
18000 2412 855.00318 40.858609 6600
19000 2814 950.88458 41.511679 6600
20000 2814 923.42023 36.068246 6600
21000 2814 794.06955 41.150212 6600
22000 2814 548.02348 35.370804 6600
23000 3000 463.81576 37.573817 6600
24000 3000 336.43523 25.743644 6600
25000 3000 234.89941 20.298489 6600
Loop time of 9.30611 on 1 procs for 25000 steps with 3000 atoms
Pair time (%) = 5.33047 (57.2792)
Neigh time (%) = 1.05786 (11.3674)
Comm time (%) = 0.251292 (2.70029)
Outpt time (%) = 0.000475883 (0.00511366)
Other time (%) = 2.66602 (28.648)
Nlocal: 3000 ave 3000 max 3000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 671 ave 671 max 671 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 13616 ave 13616 max 13616 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 13616
Ave neighs/atom = 4.53867
Neighbor list builds = 1149
Dangerous builds = 0
unfix ins
fix 2 all gravity 1.0 chute 26.0
run 25000
Memory usage per processor = 9.07965 Mbytes
Step Atoms KinEng 1 Volume
25000 3000 234.89941 20.298489 6600
26000 3000 82.315315 21.537116 6600
27000 3000 108.89519 11.940364 6600
28000 3000 200.16687 11.301946 6600
29000 3000 349.26838 15.094407 6600
30000 3000 569.81999 18.792925 6600
31000 3000 898.94346 28.160958 6600
32000 3000 1240.4814 33.875237 6600
33000 3000 1731.5017 41.915333 6600
34000 3000 2295.7732 48.265714 6600
35000 3000 2886.4882 61.48829 6600
36000 3000 3662.1785 79.477977 6600
37000 3000 4508.9506 87.503245 6600
38000 3000 5487.5698 105.18573 6600
39000 3000 6502.5504 107.5985 6600
40000 3000 7472.1021 126.10799 6600
41000 3000 8747.8718 152.09945 6600
42000 3000 10083.088 151.89644 6600
43000 3000 11433.111 170.87026 6600
44000 3000 12876.825 194.58992 6600
45000 3000 14274.884 189.94299 6600
46000 3000 15664.174 225.06085 6600
47000 3000 17213.88 222.67736 6600
48000 3000 18826.294 240.96943 6600
49000 3000 20558.693 264.45506 6600
50000 3000 22270.716 276.57672 6600
Loop time of 18.1762 on 1 procs for 25000 steps with 3000 atoms
Pair time (%) = 11.5992 (63.8153)
Neigh time (%) = 1.71333 (9.42624)
Comm time (%) = 0.540144 (2.97171)
Outpt time (%) = 0.000629663 (0.00346421)
Other time (%) = 4.32291 (23.7833)
Nlocal: 3000 ave 3000 max 3000 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 760 ave 760 max 760 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 14151 ave 14151 max 14151 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14151
Ave neighs/atom = 4.717
Neighbor list builds = 873
Dangerous builds = 0

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examples/pour/log.pour.1Feb14.linux.4
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LAMMPS (1 Feb 2014)
# Pour granular particles into chute container, then induce flow
atom_style sphere
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 MPI 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
#dump 2 all image 1000 image.*.jpg type type # axes yes 0.8 0.02 view 80 -30
#dump_modify 2 pad 5
#dump 3 all movie 1000 movie.mpg type type # axes yes 0.8 0.02 view 80 -30
#dump_modify 3 pad 5
run 25000
Memory usage per processor = 8.15424 Mbytes
Step Atoms KinEng 1 Volume
0 0 -0 0 6600
1000 402 768.04606 0 6600
2000 402 1407.1714 0 6600
3000 402 1373.819 15.59952 6600
4000 804 1737.1399 39.311164 6600
5000 804 1571.3184 67.501382 6600
6000 804 1318.6439 77.636174 6600
7000 1206 1521.8348 69.010381 6600
8000 1206 1391.0761 64.407585 6600
9000 1206 1264.9766 50.327155 6600
10000 1608 1463.0633 49.89601 6600
11000 1608 1316.7149 52.402835 6600
12000 1608 1114.153 46.872522 6600
13000 2010 1205.8869 51.481237 6600
14000 2010 1185.8628 42.191907 6600
15000 2010 972.77031 43.899414 6600
16000 2412 1104.0835 40.181571 6600
17000 2412 1071.8592 41.109972 6600
18000 2412 855.89199 38.898224 6600
19000 2814 974.59266 41.798845 6600
20000 2814 949.73588 41.312762 6600
21000 2814 785.75949 39.506434 6600
22000 2814 568.33487 35.152281 6600
23000 3000 469.29459 37.172088 6600
24000 3000 335.08614 25.096975 6600
25000 3000 235.38783 16.956807 6600
Loop time of 2.9825 on 4 procs for 25000 steps with 3000 atoms
Pair time (%) = 1.36805 (45.8694)
Neigh time (%) = 0.27838 (9.33378)
Comm time (%) = 0.419477 (14.0646)
Outpt time (%) = 0.000649214 (0.0217675)
Other time (%) = 0.915936 (30.7104)
Nlocal: 750 ave 767 max 740 min
Histogram: 1 1 0 1 0 0 0 0 0 1
Nghost: 389 ave 399 max 379 min
Histogram: 1 0 0 0 0 2 0 0 0 1
Neighs: 3555.75 ave 3653 max 3498 min
Histogram: 2 0 0 0 1 0 0 0 0 1
Total # of neighbors = 14223
Ave neighs/atom = 4.741
Neighbor list builds = 1151
Dangerous builds = 0
unfix ins
fix 2 all gravity 1.0 chute 26.0
run 25000
Memory usage per processor = 8.928 Mbytes
Step Atoms KinEng 1 Volume
25000 3000 235.38783 16.956807 6600
26000 3000 86.095398 21.734167 6600
27000 3000 105.34548 13.070765 6600
28000 3000 194.48452 12.668302 6600
29000 3000 338.66556 14.53448 6600
30000 3000 561.95176 20.01635 6600
31000 3000 863.55789 28.935939 6600
32000 3000 1245.8566 31.126919 6600
33000 3000 1747.0561 43.002491 6600
34000 3000 2297.4715 52.916382 6600
35000 3000 2979.0692 60.599758 6600
36000 3000 3668.5934 70.783571 6600
37000 3000 4550.9061 84.848649 6600
38000 3000 5458.0534 96.028867 6600
39000 3000 6461.8152 108.41301 6600
40000 3000 7504.9659 119.17697 6600
41000 3000 8622.1932 129.66834 6600
42000 3000 9729.2779 150.83916 6600
43000 3000 11006.529 161.20608 6600
44000 3000 12332.682 172.45763 6600
45000 3000 13532.399 168.86419 6600
46000 3000 14872.632 194.18978 6600
47000 3000 16262.818 209.10627 6600
48000 3000 17620.467 204.85493 6600
49000 3000 19038.858 242.63587 6600
50000 3000 20554.586 248.70106 6600
Loop time of 5.60379 on 4 procs for 25000 steps with 3000 atoms
Pair time (%) = 3.03686 (54.193)
Neigh time (%) = 0.445322 (7.94679)
Comm time (%) = 0.673944 (12.0266)
Outpt time (%) = 0.000772476 (0.0137849)
Other time (%) = 1.44689 (25.8198)
Nlocal: 750 ave 766 max 736 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Nghost: 402.75 ave 414 max 392 min
Histogram: 1 0 0 0 1 1 0 0 0 1
Neighs: 3675.25 ave 3716 max 3594 min
Histogram: 1 0 0 0 0 0 0 0 2 1
Total # of neighbors = 14701
Ave neighs/atom = 4.90033
Neighbor list builds = 859
Dangerous builds = 0

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examples/pour/log.pour.2d.1Feb14.linux.1
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LAMMPS (1 Feb 2014)
# Pour 2d granular particles into container
dimension 2
atom_style sphere
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 MPI 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 range 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
#dump 2 all image 500 image.*.jpg type type # zoom 1.6 adiam 1.5
#dump_modify 2 pad 5
#dump 3 all movie 500 movie.mpg type type # zoom 1.6 adiam 1.5
#dump_modify 3 pad 5
run 25000
Memory usage per processor = 8.39742 Mbytes
Step Atoms KinEng 1 Volume
0 0 -0 0 5000
1000 224 201.77464 0 5000
2000 224 372.42868 0 5000
3000 224 599.60221 0 5000
4000 448 1084.3752 0 5000
5000 448 1592.4543 0 5000
6000 448 1763.3153 37.274939 5000
7000 672 1805.206 89.331853 5000
8000 672 1778.0015 111.58381 5000
9000 672 1592.6805 97.550227 5000
10000 896 1632.2116 76.952268 5000
11000 896 1594.7057 65.263337 5000
12000 896 1539.5424 56.179956 5000
13000 1000 1502.7779 61.791119 5000
14000 1000 1264.0565 50.885098 5000
15000 1000 1028.8287 48.271488 5000
16000 1000 742.47431 43.031382 5000
17000 1000 466.70958 35.374711 5000
18000 1000 311.97604 30.342738 5000
19000 1000 217.15209 31.325292 5000
20000 1000 53.963502 21.545193 5000
21000 1000 20.574937 12.436765 5000
22000 1000 14.952026 8.8587603 5000
23000 1000 12.308193 7.3973013 5000
24000 1000 11.398735 5.1815744 5000
25000 1000 10.066348 4.0359674 5000
Loop time of 2.91316 on 1 procs for 25000 steps with 1000 atoms
Pair time (%) = 1.21785 (41.8051)
Neigh time (%) = 0.312445 (10.7253)
Comm time (%) = 0.0109541 (0.376022)
Outpt time (%) = 0.000334263 (0.0114742)
Other time (%) = 1.37158 (47.0821)
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: 2362 ave 2362 max 2362 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 2362
Ave neighs/atom = 2.362
Neighbor list builds = 2038
Dangerous builds = 0

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examples/pour/log.pour.2d.1Feb14.linux.4
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LAMMPS (1 Feb 2014)
# Pour 2d granular particles into container
dimension 2
atom_style sphere
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)
4 by 1 by 1 MPI 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 range 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
#dump 2 all image 500 image.*.jpg type type # zoom 1.6 adiam 1.5
#dump_modify 2 pad 5
#dump 3 all movie 500 movie.mpg type type # zoom 1.6 adiam 1.5
#dump_modify 3 pad 5
run 25000
Memory usage per processor = 8.36296 Mbytes
Step Atoms KinEng 1 Volume
0 0 -0 0 5000
1000 224 201.77464 0 5000
2000 224 372.42868 0 5000
3000 224 599.60221 0 5000
4000 448 1084.3752 0 5000
5000 448 1592.4543 0 5000
6000 448 1763.3153 37.274939 5000
7000 672 1805.206 89.331853 5000
8000 672 1778.0015 111.58381 5000
9000 672 1592.6805 97.550227 5000
10000 896 1631.0865 79.644395 5000
11000 896 1592.1233 66.618058 5000
12000 896 1538.0168 62.305427 5000
13000 1000 1504.7663 60.453118 5000
14000 1000 1258.4278 56.953463 5000
15000 1000 1051.3757 49.481041 5000
16000 1000 745.26845 46.064462 5000
17000 1000 461.4175 44.190391 5000
18000 1000 321.52252 32.000638 5000
19000 1000 219.94195 27.786071 5000
20000 1000 47.588667 19.150667 5000
21000 1000 22.265142 13.29654 5000
22000 1000 16.795774 9.1519062 5000
23000 1000 14.227042 7.3286667 5000
24000 1000 10.712738 5.4385743 5000
25000 1000 9.180883 3.4376108 5000
Loop time of 0.936714 on 4 procs for 25000 steps with 1000 atoms
Pair time (%) = 0.304334 (32.4896)
Neigh time (%) = 0.0807448 (8.62001)
Comm time (%) = 0.0846794 (9.04005)
Outpt time (%) = 0.000462651 (0.0493909)
Other time (%) = 0.466493 (49.801)
Nlocal: 250 ave 260 max 230 min
Histogram: 1 0 0 0 0 0 0 1 0 2
Nghost: 17.5 ave 24 max 12 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Neighs: 598.25 ave 630 max 546 min
Histogram: 1 0 0 0 0 0 1 0 1 1
Total # of neighbors = 2393
Ave neighs/atom = 2.393
Neighbor list builds = 2035
Dangerous builds = 0

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examples/pour/log.pour.2d.molecule.1Feb14.linux.1
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LAMMPS (1 Feb 2014)
# Pour 2d granular particles into container
dimension 2
atom_style sphere
atom_modify map array
boundary f fm p
newton off
communicate single vel yes cutoff 2.5
fix prop all property/atom mol
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 MPI 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 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
molecule object molecule.vshape
fix 3 all rigid/small molecule mol object
0 rigid bodies with 0 atoms
2.23607 = max distance from body owner to body atom
# insure region size + molecule size does not overlap wall
region slab block 3.0 97.0 30 34.5 -0.5 0.5 units box
fix ins all pour 500 0 4767548 vol 0.8 10 region slab mol object rigid 3
Particle insertion: 26 every 3000 steps, 500 by step 57001
fix 4 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 100 tmp.dump
#variable colors string # "red green blue yellow white # purple pink orange lime gray"
#variable mol2 atom mol%10
#dump 2 all image 250 image.*.jpg v_mol2 type # zoom 1.6 adiam 1.5
#dump_modify 2 pad 5 amap 0 10 sa 1 10 ${colors}
#variable colors string # "red green blue yellow white # purple pink orange lime gray"
#variable mol3 atom mol%10
#dump 3 all movie 250 movie.mpg v_mol3 type # zoom 1.6 adiam 1.5
#dump_modify 3 pad 5 amap 0 10 sa 1 10 ${colors}
run 25000
Memory usage per processor = 8.8613 Mbytes
Step Atoms KinEng 1 Volume
0 0 -0 0 5000
1000 130 208.5324 0.0022531902 5000
2000 130 395.40215 0.0022531902 5000
3000 130 647.2719 0.0022531902 5000
4000 260 1159.1081 0.0026224951 5000
5000 260 1718.8157 0.0026515989 5000
6000 260 2031.535 10.691958 5000
7000 390 2065.2783 21.015337 5000
8000 390 1911.4694 10.935944 5000
9000 390 1884.4332 7.8649255 5000
10000 520 2109.7343 6.3162072 5000
11000 520 2055.0964 9.2024202 5000
12000 520 1737.7978 3.8651428 5000
13000 650 1827.8021 5.4025759 5000
14000 650 1714.9891 5.1408637 5000
15000 650 1460.3591 1.9883146 5000
16000 780 1656.7752 2.6070722 5000
17000 780 1487.906 2.9690473 5000
18000 780 1508.32 2.4036266 5000
19000 910 1508.0974 5.3892045 5000
20000 910 1310.8002 4.8125827 5000
21000 910 1044.281 2.4533982 5000
22000 1040 1188.4887 1.8312293 5000
23000 1040 1405.6437 2.4849983 5000
24000 1040 1287.8333 2.4405773 5000
25000 1170 1190.5047 2.8533518 5000
Loop time of 3.16526 on 1 procs for 25000 steps with 1170 atoms
Pair time (%) = 0.829346 (26.2015)
Neigh time (%) = 0.207036 (6.54087)
Comm time (%) = 0.0133698 (0.422392)
Outpt time (%) = 0.000298738 (0.00943804)
Other time (%) = 2.11521 (66.8258)
Nlocal: 1170 ave 1170 max 1170 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: 1707 ave 1707 max 1707 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1707
Ave neighs/atom = 1.45897
Neighbor list builds = 1751
Dangerous builds = 0

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examples/pour/log.pour.2d.molecule.1Feb14.linux.4
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LAMMPS (1 Feb 2014)
# Pour 2d granular particles into container
dimension 2
atom_style sphere
atom_modify map array
boundary f fm p
newton off
communicate single vel yes cutoff 2.5
fix prop all property/atom mol
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)
4 by 1 by 1 MPI 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 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
molecule object molecule.vshape
fix 3 all rigid/small molecule mol object
0 rigid bodies with 0 atoms
2.23607 = max distance from body owner to body atom
# insure region size + molecule size does not overlap wall
region slab block 3.0 97.0 30 34.5 -0.5 0.5 units box
fix ins all pour 500 0 4767548 vol 0.8 10 region slab mol object rigid 3
Particle insertion: 26 every 3000 steps, 500 by step 57001
fix 4 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 100 tmp.dump
#variable colors string # "red green blue yellow white # purple pink orange lime gray"
#variable mol2 atom mol%10
#dump 2 all image 250 image.*.jpg v_mol2 type # zoom 1.6 adiam 1.5
#dump_modify 2 pad 5 amap 0 10 sa 1 10 ${colors}
#variable colors string # "red green blue yellow white # purple pink orange lime gray"
#variable mol3 atom mol%10
#dump 3 all movie 250 movie.mpg v_mol3 type # zoom 1.6 adiam 1.5
#dump_modify 3 pad 5 amap 0 10 sa 1 10 ${colors}
run 25000
Memory usage per processor = 8.82364 Mbytes
Step Atoms KinEng 1 Volume
0 0 -0 0 5000
1000 130 208.5324 0.0022531902 5000
2000 130 395.40215 0.0022531902 5000
3000 130 647.2719 0.0022531902 5000
4000 260 1159.1081 0.0026224951 5000
5000 260 1718.8157 0.0026515989 5000
6000 260 2031.535 10.691958 5000
7000 390 2065.2783 21.015337 5000
8000 390 1911.4694 10.935944 5000
9000 390 1884.4332 7.8649255 5000
10000 520 2109.7343 6.3162072 5000
11000 520 2055.0964 9.2024202 5000
12000 520 1737.7978 3.8651428 5000
13000 650 1835.9412 5.4696261 5000
14000 650 1705.5968 4.6127934 5000
15000 650 1458.6093 2.3324994 5000
16000 780 1663.1206 3.4762842 5000
17000 780 1448.6268 2.5272414 5000
18000 780 1439.06 2.3644535 5000
19000 910 1353.2736 3.4079237 5000
20000 910 1303.0395 4.7540237 5000
21000 910 1037.3662 2.6725377 5000
22000 1040 1225.3222 2.0920106 5000
23000 1040 1306.8689 2.4710217 5000
24000 1040 1304.5309 2.5544338 5000
25000 1170 1181.4033 4.5232994 5000
Loop time of 1.24255 on 4 procs for 25000 steps with 1170 atoms
Pair time (%) = 0.219425 (17.6592)
Neigh time (%) = 0.0621997 (5.00579)
Comm time (%) = 0.0965945 (7.77386)
Outpt time (%) = 0.000469327 (0.0377711)
Other time (%) = 0.863865 (69.5234)
Nlocal: 292.5 ave 312 max 278 min
Histogram: 1 1 0 0 0 1 0 0 0 1
Nghost: 44.5 ave 60 max 28 min
Histogram: 1 1 0 0 0 0 0 0 0 2
Neighs: 427.5 ave 451 max 399 min
Histogram: 1 0 1 0 0 0 0 0 0 2
Total # of neighbors = 1710
Ave neighs/atom = 1.46154
Neighbor list builds = 1769
Dangerous builds = 0