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lammps/examples/rigid/log.rigid.poems2.10Sep10.linux.4
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LAMMPS (10 Sep 2010)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
orthogonal box = (-12 -12 -12) to (12 12 12)
1 by 2 by 2 processor grid
81 atoms
velocity all create 100.0 4928459
# unconnected bodies
#group clump1 id <> 1 9
#group clump2 id <> 10 18
#group clump3 id <> 19 27
#group clump4 id <> 28 36
#group clump5 id <> 37 45
#group clump6 id <> 46 54
#group clump7 id <> 55 63
#group clump8 id <> 64 72
#group clump9 id <> 73 81
#fix 1 all rigid group 9 clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 1 chain of connected bodies
#group clump1 id <> 1 9
#group clump2 id <> 9 18
#group clump3 id <> 18 27
#group clump4 id <> 27 36
#group clump5 id <> 36 45
#group clump6 id <> 45 54
#group clump7 id <> 54 63
#group clump8 id <> 63 72
#group clump9 id <> 72 81
#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 2 chains of connected bodies
group clump1 id <> 1 9
9 atoms in group clump1
group clump2 id <> 9 18
10 atoms in group clump2
group clump3 id <> 18 27
10 atoms in group clump3
group clump4 id <> 27 36
10 atoms in group clump4
group clump5 id <> 37 45
9 atoms in group clump5
group clump6 id <> 45 54
10 atoms in group clump6
group clump7 id <> 54 63
10 atoms in group clump7
group clump8 id <> 63 72
10 atoms in group clump8
group clump9 id <> 72 81
10 atoms in group clump9
fix 1 all poems group clump1 clump2 clump3 clump4
1 clusters, 4 bodies, 3 joints, 36 atoms
fix 2 all poems group clump5 clump6 clump7 clump8 clump9
1 clusters, 5 bodies, 4 joints, 45 atoms
neigh_modify exclude group clump1 clump1
neigh_modify exclude group clump2 clump2
neigh_modify exclude group clump3 clump3
neigh_modify exclude group clump4 clump4
neigh_modify exclude group clump5 clump5
neigh_modify exclude group clump6 clump6
neigh_modify exclude group clump7 clump7
neigh_modify exclude group clump8 clump8
neigh_modify exclude group clump9 clump9
thermo 100
dump 1 all atom 50 dump.rigid
timestep 0.0001
thermo 50
run 10000
Memory usage per processor = 2.01123 Mbytes
Step Temp E_pair E_mol TotEng Press
0 196.00047 3632.2347 0 3668.5311 -2.7403788
50 12167.633 1505.5478 0 3758.8133 35.125973
100 17556.978 512.66277 0 3763.9549 11.137534
150 19579.586 138.04942 0 3763.8987 -29.953971
200 19757.51 105.30542 0 3764.1036 -0.030645317
250 18218.374 390.10747 0 3763.8804 13.711001
300 19383.039 174.40688 0 3763.8586 5.7240693
350 20125.986 36.972611 0 3764.0071 1.9559205
400 18888.816 266.10975 0 3764.0386 9.6362168
450 19307.656 188.2511 0 3763.743 1.9326206
500 16331.197 738.56392 0 3762.8597 9.1715579
550 19318.722 186.16172 0 3763.7027 3.0115336
600 19455.268 161.20621 0 3764.0336 0.55208034
650 18487.011 340.03216 0 3763.5528 -8.0359122
700 17321.201 556.32471 0 3763.9545 -13.631751
750 18979.187 249.04389 0 3763.7082 -2.6072455
800 19342.456 181.85552 0 3763.7918 8.1918726
850 19070.641 232.19342 0 3763.7936 7.3148472
900 19478.873 156.65987 0 3763.8586 2.4284987
950 19912.415 76.437437 0 3763.9216 -1.4667227
1000 16003.749 802.39753 0 3766.0548 46.642188
1050 19859.583 86.64176 0 3764.3424 -2.1961943
1100 19229.575 203.61488 0 3764.6473 -10.632365
1150 18821.6 279.15861 0 3764.64 -0.89495035
1200 19392.695 173.59744 0 3764.8373 1.8508753
1250 16459.624 717.32104 0 3765.3995 33.478127
1300 19343.863 182.59043 0 3764.7874 0.75890736
1350 20019.643 57.503573 0 3764.8448 0.31444671
1400 18549.582 329.31436 0 3764.4221 10.738303
1450 15163.926 957.47586 0 3765.6103 -17.92346
1500 19223.687 204.15183 0 3764.0939 -1.613452
1550 18147.996 404.12678 0 3764.8668 8.4194792
1600 18615.043 317.42471 0 3764.6548 -2.328888
1650 20120.654 38.887881 0 3764.935 -8.7620354
1700 19450.909 162.98241 0 3765.0025 2.3254789
1750 19374.63 177.37995 0 3765.2744 8.9328763
1800 19424.404 167.93955 0 3765.0514 0.081220933
1850 17936.1 442.87 0 3764.3699 6.6014756
1900 19982.594 64.406503 0 3764.8868 -2.9529121
1950 16215.619 761.95672 0 3764.8492 13.995838
2000 18584.496 322.10685 0 3763.6801 7.1651945
2050 20107.964 41.026039 0 3764.723 -0.31084414
2100 20002.302 60.598773 0 3764.7288 -6.7920451
2150 16950.131 626.52771 0 3765.4408 3.5076647
2200 20010.956 58.807771 0 3764.5404 -10.861976
2250 18982.744 247.00634 0 3762.3293 -0.53839654
2300 18401.154 354.9061 0 3762.5273 1.0923966
2350 19390.595 172.92834 0 3763.7792 -3.3521101
2400 16078.625 786.7919 0 3764.3151 -16.207471
2450 18869.621 268.89582 0 3763.27 11.21117
2500 19689.747 117.31178 0 3763.5612 4.3696681
2550 18867.503 269.40267 0 3763.3847 -5.6740544
2600 17025.031 610.65544 0 3763.4389 6.2922035
2650 18722.979 296.68253 0 3763.9008 2.4486275
2700 19752.631 105.35565 0 3763.2503 -0.38806443
2750 19523.86 147.89214 0 3763.4217 -1.5699212
2800 17824.742 462.36762 0 3763.2457 29.88684
2850 18900.07 263.12089 0 3763.1339 3.7469477
2900 20156.26 30.547086 0 3763.1879 2.8531769
2950 17892.834 449.47501 0 3762.9628 4.2604498
3000 18921.535 258.83469 0 3762.8227 3.6366493
3050 18942.264 255.34101 0 3763.1677 5.9431888
3100 19186.564 210.61998 0 3763.6874 -1.5092481
3150 19329.841 184.38858 0 3763.9887 -12.789867
3200 19513.54 150.18116 0 3763.7996 -4.3347529
3250 19255.507 197.87801 0 3763.7127 1.6002526
3300 18556.725 327.9082 0 3764.3388 2.4974803
3350 17608.395 503.54346 0 3764.3574 8.6712486
3400 17603.805 504.39392 0 3764.3579 22.038889
3450 19367.153 177.62013 0 3764.13 4.3869626
3500 19490.748 154.55154 0 3763.9494 4.2491723
3550 19252.577 198.74542 0 3764.0375 3.7555647
3600 19618.71 131.08723 0 3764.1817 1.1641057
3650 19764.817 104.02195 0 3764.1733 -5.3879599
3700 20065.851 48.303428 0 3764.2017 -8.5287482
3750 19657.673 123.7888 0 3764.0986 -3.0574522
3800 19231.172 202.8531 0 3764.1813 -1.2557769
3850 16977.006 619.97078 0 3763.8609 35.024596
3900 18162.257 400.96022 0 3764.3412 5.1826166
3950 19396.674 171.98603 0 3763.9626 -4.0493383
4000 17097.924 596.93651 0 3763.2187 -2.4355895
4050 19430.757 165.64349 0 3763.9319 2.7828421
4100 18179.952 396.66435 0 3763.3222 12.030454
4150 18069.67 417.5026 0 3763.7378 13.1993
4200 18830.585 276.37372 0 3763.519 0.20219018
4250 18593.941 319.94813 0 3763.2706 12.934954
4300 19222.198 204.0215 0 3763.6877 -7.8670773
4350 18788.218 284.19011 0 3763.4898 2.642334
4400 17135.462 589.60206 0 3762.8357 20.662124
4450 17710.847 484.4311 0 3764.2176 13.607715
4500 18252.744 383.62367 0 3763.7615 1.7152902
4550 19313.302 186.96858 0 3763.506 -6.0976906
4600 19779.729 100.71531 0 3763.6281 3.744918
4650 17249.548 568.7429 0 3763.1037 36.950665
4700 17365.318 547.8892 0 3763.6888 -5.7640157
4750 18735.4 294.47323 0 3763.9918 -13.921515
4800 19516.348 149.54153 0 3763.6801 -1.1225408
4850 19893.801 79.890958 0 3763.9283 -2.6978448
4900 18870.675 268.8245 0 3763.394 -1.205972
4950 18786.324 285.06829 0 3764.0172 -6.3220806
5000 19556.384 142.41419 0 3763.9667 -8.0772447
5050 19748.811 106.55285 0 3763.7401 -2.9201553
5100 18825.455 277.63941 0 3763.8347 2.6584804
5150 17813.427 464.9856 0 3763.7684 5.6228029
5200 18971.586 250.49268 0 3763.7493 4.2221084
5250 18457.47 345.69505 0 3763.7451 17.424882
5300 19599.702 133.99385 0 3763.5683 3.7445015
5350 17670.404 490.74628 0 3763.0432 -10.596773
5400 18914.057 260.33687 0 3762.94 0.95984051
5450 18811.87 279.62435 0 3763.304 0.032108848
5500 19679.315 119.19158 0 3763.5093 -1.0801324
5550 17547.564 514.05408 0 3763.603 2.932047
5600 19527.283 147.12679 0 3763.2904 -5.5487295
5650 19636.243 127.17887 0 3763.5201 3.8600669
5700 18858.375 271.27235 0 3763.564 13.25638
5750 19598.598 133.92658 0 3763.2966 5.6608095
5800 19765.637 103.21215 0 3763.5154 5.7387962
5850 17903.638 448.17509 0 3763.6636 7.6021051
5900 19937.298 71.544085 0 3763.6362 3.6343453
5950 19743.551 107.50494 0 3763.7181 -0.28879171
6000 17341.747 552.09661 0 3763.5312 -11.172997
6050 20159.583 30.566286 0 3763.8225 -20.216023
6100 19656.067 123.70924 0 3763.7217 -8.9594266
6150 19419.747 167.41543 0 3763.6649 2.7360986
6200 19156.034 216.10407 0 3763.5178 5.3716251
6250 19936.825 71.594811 0 3763.5994 4.4997421
6300 18907.669 262.32421 0 3763.7445 7.1419863
6350 19131.84 220.66403 0 3763.5973 4.5814013
6400 18596.838 319.56455 0 3763.4235 0.36054246
6450 19163.662 214.37943 0 3763.2057 8.1195998
6500 19423.798 166.08278 0 3763.0823 2.6599459
6550 18617.609 315.18414 0 3762.8896 4.6351787
6600 19058.151 233.87235 0 3763.1596 2.5493616
6650 19320.833 185.16292 0 3763.095 -2.7409621
6700 18866.113 269.11301 0 3762.8376 3.667815
6750 18398.3 355.57998 0 3762.6725 4.1400138
6800 19775.119 101.0808 0 3763.1399 -0.41724796
6850 19450.434 161.2115 0 3763.1438 3.3480054
6900 19660.769 122.24506 0 3763.1282 6.8214494
6950 19862.396 84.929556 0 3763.151 3.4682885
7000 19178.709 211.49744 0 3763.1103 2.1915699
7050 19307.098 187.73187 0 3763.1204 -6.1641344
7100 19801.521 96.166898 0 3763.1152 -9.1812404
7150 19630.398 127.87118 0 3763.1301 -0.54468764
7200 19879.695 81.695648 0 3763.1207 -8.3577309
7250 20049.061 50.355713 0 3763.1448 -0.89513129
7300 19965.303 65.868487 0 3763.1467 5.5243409
7350 19221.344 203.65165 0 3763.1599 7.9634924
7400 19080.032 229.80747 0 3763.1467 7.9373476
7450 19533.575 145.82808 0 3763.1569 5.7752799
7500 17038.63 608.54005 0 3763.8419 19.831909
7550 19812.43 94.110679 0 3763.0792 -4.0396879
7600 18033.196 423.47442 0 3762.9552 -0.29911651
7650 18485.224 339.58147 0 3762.7712 10.978311
7700 18418.868 352.05469 0 3762.9561 12.577451
7750 19236.207 200.77192 0 3763.0325 -5.3134885
7800 19793.261 97.561016 0 3762.9798 -7.4446478
7850 17973.458 434.44135 0 3762.8596 2.976453
7900 19828.512 91.242788 0 3763.1894 1.8434493
7950 18711.872 298.03827 0 3763.1998 7.274524
8000 18703.549 299.67744 0 3763.2977 -0.55225735
8050 18845.516 273.15653 0 3763.0668 -9.5959435
8100 17453.542 531.39597 0 3763.5335 -0.58613283
8150 19939.294 70.858759 0 3763.3207 -7.7879396
8200 19638.228 126.67658 0 3763.3855 -9.4045425
8250 18794.522 282.4717 0 3762.9387 -7.875818
8300 18100.273 410.46952 0 3762.3719 -2.5085703
8350 15878.668 822.55512 0 3763.0492 -5.169235
8400 18925.386 257.73318 0 3762.4344 -1.6783529
8450 17065.046 601.98685 0 3762.1806 10.985553
8500 15933.21 812.81643 0 3763.4109 9.3461117
8550 18400.539 355.52075 0 3763.0279 -2.7182209
8600 17671.834 490.71057 0 3763.2724 -4.5016918
8650 16882.152 636.54752 0 3762.8721 8.1748844
8700 19302.972 188.50187 0 3763.1263 3.9263132
8750 19148.106 217.12855 0 3763.0741 0.87905637
8800 18081.197 414.88251 0 3763.2523 15.896023
8850 18515.824 334.37499 0 3763.2312 -2.1535329
8900 19177.409 211.40159 0 3762.7736 6.2782336
8950 18825.723 275.64695 0 3761.8919 -1.4629014
9000 16213.989 763.41693 0 3766.0074 28.041436
9050 16649.08 678.75989 0 3761.9229 9.1222856
9100 19637.715 126.57522 0 3763.1891 0.36977524
9150 19022.662 240.6876 0 3763.4028 -13.813046
9200 19625.142 128.93061 0 3763.2162 0.0246202
9250 15974.485 805.21436 0 3763.4523 23.17349
9300 18543.839 329.23058 0 3763.2749 2.3639361
9350 16989.506 616.07879 0 3762.2836 8.0415847
9400 16186.964 765.76391 0 3763.3499 -3.7036622
9450 15636.673 867.43389 0 3763.1141 42.450187
9500 18074.528 415.75995 0 3762.8948 -10.308175
9550 19507.08 150.78418 0 3763.2064 -12.434749
9600 19694.211 115.53858 0 3762.6147 1.2116206
9650 18638.567 310.78659 0 3762.3731 -0.89821286
9700 15252.287 938.88024 0 3763.3778 27.200069
9750 17157.545 585.07819 0 3762.4013 12.219964
9800 16669.206 676.55598 0 3763.446 5.4584777
9850 17372.206 545.72657 0 3762.8018 0.82067295
9900 19636.581 126.56591 0 3762.9697 -3.1626822
9950 16860.357 641.3009 0 3763.5893 4.0415447
10000 19959.36 66.839595 0 3763.0173 -4.2182701
Loop time of 7.54642 on 4 procs for 10000 steps with 81 atoms
Pair time (%) = 0.0562297 (0.745117)
Neigh time (%) = 0.0256721 (0.340189)
Comm time (%) = 0.311885 (4.13288)
Outpt time (%) = 0.0352556 (0.467183)
Other time (%) = 7.11738 (94.3146)
Nlocal: 20.25 ave 45 max 0 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Nghost: 23.5 ave 45 max 12 min
Histogram: 2 0 0 1 0 0 0 0 0 1
Neighs: 139.75 ave 321 max 0 min
Histogram: 2 0 0 0 0 0 0 1 0 1
Total # of neighbors = 559
Ave neighs/atom = 6.90123
Neighbor list builds = 992
Dangerous builds = 933
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