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lammps/examples/rigid/log.rigid.poems.5Oct07.linux.4
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LAMMPS (5 Oct 2007)
# 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 clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 1 chain 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 <> 36 45
10 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 clump5 clump6 clump7 clump8 clump9
1 clusters, 9 bodies, 8 joints, 81 atoms
# 2 chains 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 <> 37 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
#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
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 = 1.32349 Mbytes
Step Temp E_pair E_mol TotEng Press
0 217.7783 3430.3907 0 3466.6871 -2.7403788
50 13679.637 1404.2468 0 3684.1863 12.446066
100 16777.225 888.87665 0 3685.0808 -31.828677
150 19595.365 418.45042 0 3684.3446 40.709078
200 18524.188 596.47273 0 3683.8375 -0.8159371
250 21015.789 180.96521 0 3683.5967 -10.042469
300 20785.513 219.25314 0 3683.5053 2.6452719
350 21072.46 171.2554 0 3683.3321 7.0609024
400 19956.414 356.36381 0 3682.4328 19.320259
450 20724.42 227.73284 0 3681.8028 8.1259249
500 20152.578 322.71466 0 3681.4777 5.4929878
550 20017.022 345.29701 0 3681.4673 5.4661666
600 17897.743 698.72196 0 3681.6791 3.2854742
650 17297.758 796.60256 0 3679.5623 15.191113
700 18581.934 584.29715 0 3681.2861 5.1588289
750 21774.158 52.821062 0 3681.8474 -10.775664
800 21604.055 81.188546 0 3681.8644 -3.2045743
850 17821.483 711.53827 0 3681.7854 7.4384277
900 21033.292 175.98127 0 3681.5299 -16.345167
950 20968.166 186.59847 0 3681.2929 -2.330456
1000 20490.66 266.19375 0 3681.3037 11.787983
1050 20222.396 310.94072 0 3681.34 -8.3459539
1100 21321.687 127.61533 0 3681.2299 -1.2184717
1150 20849.582 206.01695 0 3680.9472 -0.86699147
1200 21815.003 45.317414 0 3681.1512 1.5988314
1250 18655.437 572.41453 0 3681.654 10.064078
1300 20780.781 217.36507 0 3680.8286 6.0538616
1350 20558.971 254.36483 0 3680.8601 -3.6773951
1400 21485.029 99.812918 0 3680.6511 -16.185473
1450 21771.107 52.15961 0 3680.6775 -2.4756673
1500 21520.948 93.503924 0 3680.3286 2.1023577
1550 21351.418 121.68137 0 3680.2511 5.5159946
1600 20778.805 216.92178 0 3680.0559 15.089188
1650 21477.638 100.21838 0 3679.8247 -1.1045721
1700 18501.339 596.47923 0 3680.0357 -15.679684
1750 18563.642 587.34794 0 3681.2882 33.532214
1800 19110.185 494.82345 0 3679.8543 18.024048
1850 21364.191 119.23549 0 3679.9339 2.5291055
1900 20146.626 322.14873 0 3679.9197 5.7313299
1950 20692.671 231.25337 0 3680.0319 4.2977739
2000 20943.904 189.11223 0 3679.7629 -22.645065
2050 19668.05 401.83114 0 3679.8394 3.6251299
2100 20280.429 299.76377 0 3679.8353 7.4807724
2150 19181.824 483.52803 0 3680.4987 22.621058
2200 21300.2 130.69877 0 3680.7321 4.7101388
2250 20486.872 266.65126 0 3681.1298 -8.64606
2300 18652.975 572.27254 0 3681.1017 -5.2634974
2350 21513.607 95.600862 0 3681.202 -9.3630049
2400 21466.13 103.58801 0 3681.2764 -29.557768
2450 20100.368 332.22709 0 3682.2885 35.732014
2500 20764.657 221.62387 0 3682.4 -12.463862
2550 20438.076 275.91333 0 3682.2592 -22.425852
2600 21466.132 104.59173 0 3682.2805 -10.082268
2650 20822.428 211.95671 0 3682.3614 5.127481
2700 18565.278 588.44551 0 3682.6584 22.293432
2750 20797.862 215.91059 0 3682.2209 -8.1063144
2800 21059.469 172.28051 0 3682.1921 -7.0844003
2850 16872.586 870.34211 0 3682.4398 32.849964
2900 19328.831 460.66814 0 3682.1399 7.9281931
2950 20586.345 250.96712 0 3682.0246 1.7396391
3000 20611.491 246.91122 0 3682.1598 0.15773191
3050 18708.556 564.3119 0 3682.4045 -8.7956783
3100 19495.833 432.52761 0 3681.8332 -2.1653832
3150 19519.49 428.89092 0 3682.1393 4.0100548
3200 20944.893 191.20605 0 3682.0216 11.871543
3250 21146.02 157.83687 0 3682.1735 -4.7375853
3300 20265.669 304.00917 0 3681.6207 -17.157191
3350 21869.083 37.329716 0 3682.1769 1.4108575
3400 21255.354 139.32181 0 3681.8809 1.2422306
3450 20561.221 254.99337 0 3681.8635 -2.7886134
3500 19336.164 459.33327 0 3682.0272 -9.8731549
3550 18542.312 591.07728 0 3681.4627 15.77161
3600 18730.537 560.14948 0 3681.9057 10.217264
3650 20873.396 203.06221 0 3681.9616 -28.564248
3700 21436.606 109.16145 0 3681.9292 -21.061612
3750 18675.966 569.02439 0 3681.6855 11.64657
3800 20436.375 275.84131 0 3681.9038 -5.9290461
3850 18328.137 628.10932 0 3682.7989 14.246278
3900 19024.623 511.1793 0 3681.9498 14.007294
3950 19466.443 437.78895 0 3682.1961 12.682242
4000 21202.262 148.49308 0 3682.2035 0.47453452
4050 21732.696 60.300584 0 3682.4166 3.5393138
4100 21261.101 138.98135 0 3682.4981 -2.3688202
4150 21039.305 176.06896 0 3682.6198 -7.3850759
4200 20861.193 205.8717 0 3682.7372 -5.9549501
4250 20727.806 227.85881 0 3682.4931 -4.9378024
4300 21240.72 142.99909 0 3683.1191 6.0140859
4350 20278.96 303.68016 0 3683.5068 18.008787
4400 21571.464 89.217978 0 3684.462 -8.2541517
4450 20945.879 194.34119 0 3685.3211 -10.755909
4500 19357.576 459.20233 0 3685.4651 -1.1662243
4550 20070.673 340.02546 0 3685.1377 8.1832489
4600 18365.334 624.41217 0 3685.3011 11.456111
4650 21054.585 175.93533 0 3685.0329 4.0987465
4700 20453.567 274.95682 0 3683.8846 18.963024
4750 21099.159 168.60809 0 3685.1346 -11.855465
4800 21158.189 159.18204 0 3685.5469 -17.31802
4850 18094.578 669.72236 0 3685.4853 40.180964
4900 20034.808 346.31522 0 3685.45 4.1804507
4950 18429.609 611.87316 0 3683.4747 -8.6927733
5000 17101.392 834.83641 0 3685.0685 29.261971
5050 19972.453 356.73256 0 3685.4746 -23.478596
5100 20409.248 283.96903 0 3685.5103 -15.62688
5150 18619.464 582.41194 0 3685.656 27.596644
5200 21091.026 170.5616 0 3685.7327 -2.1985242
5250 19646.432 411.12533 0 3685.5307 5.3421684
5300 16532.264 929.93501 0 3685.3123 3.6084684
5350 18936.014 529.38477 0 3685.3872 5.7677833
5400 19076.138 505.98075 0 3685.337 -3.5638094
5450 18054.685 676.72364 0 3685.8378 -21.232447
5500 19888.218 369.90928 0 3684.6123 -7.2785968
5550 19490.999 436.65981 0 3685.1597 7.9038749
5600 19100.952 502.38941 0 3685.8814 14.985758
5650 21651.913 76.978971 0 3685.6312 -1.0194868
5700 21567.956 90.782103 0 3685.4415 -4.4649746
5750 20856.197 208.52372 0 3684.5565 4.8535252
5800 19843.284 377.984 0 3685.198 12.062532
5850 21790.829 54.281667 0 3686.0866 -3.2023915
5900 18902.646 535.37059 0 3685.8116 10.894118
5950 21829.087 48.387859 0 3686.5691 2.2039614
6000 21245.256 145.52299 0 3686.399 6.2974108
6050 21751.287 61.184407 0 3686.3988 -0.1980726
6100 19043.424 513.07185 0 3686.9759 9.8533553
6150 21901.252 36.150127 0 3686.3587 -7.0300867
6200 20949.233 194.29786 0 3685.8366 8.4342445
6250 20899.339 202.11234 0 3685.3354 -2.5050622
6300 21319.283 132.94251 0 3686.1564 -1.6810321
6350 21831.692 48.011342 0 3686.6267 -2.4722049
6400 21456.882 110.75974 0 3686.9068 -3.5310241
6450 21270.92 141.72151 0 3686.8749 -43.058347
6500 20362.334 292.29277 0 3686.0151 -4.4931124
6550 18532.916 596.57491 0 3685.3942 3.980097
6600 19297.139 470.28434 0 3686.4742 -2.9651136
6650 17192.426 820.51306 0 3685.9173 -12.722339
6700 20048.902 344.57156 0 3686.0552 5.4710406
6750 19514.781 433.21286 0 3685.6764 -2.1603719
6800 16180.331 990.63515 0 3687.357 39.735611
6850 19840.599 379.89398 0 3686.6604 2.2347727
6900 19953.112 361.20748 0 3686.7261 -0.46915332
6950 19137.537 497.33803 0 3686.9276 -1.4982013
7000 20429.395 281.81168 0 3686.7108 3.4039584
7050 20467.147 275.61561 0 3686.8067 2.9208488
7100 19080.701 505.64775 0 3685.7645 12.174506
7150 18840.308 545.83722 0 3685.8886 -6.6402162
7200 21125.322 165.63742 0 3686.5244 -12.447263
7250 21920.551 33.452669 0 3686.8779 -10.072615
7300 21189.411 155.39428 0 3686.9628 -4.867636
7350 21124.285 166.49632 0 3687.2104 4.2436658
7400 20355.482 294.78502 0 3687.3653 4.6061237
7450 21093.692 171.68559 0 3687.301 6.0558886
7500 20270.87 308.63454 0 3687.1128 6.2719558
7550 19433.605 448.40614 0 3687.3404 -5.6016336
7600 20240.235 312.79213 0 3686.1647 -3.0011634
7650 19792.15 387.11218 0 3685.8039 -10.580568
7700 14157.397 1328.0944 0 3687.6605 32.611302
7750 17338.66 796.45586 0 3686.2326 0.86218444
7800 19338.869 460.76713 0 3683.912 -1.4462852
7850 16029.154 1015.1258 0 3686.6516 14.035556
7900 19626.602 415.68252 0 3686.7829 20.7258
7950 18138.796 663.47543 0 3686.608 -32.528083
8000 19002.116 521.00339 0 3688.0227 -28.12064
8050 18003.774 686.40425 0 3687.0332 4.743552
8100 18532.39 598.44513 0 3687.1769 9.0148457
8150 20314.631 301.43397 0 3687.2057 2.0305154
8200 20154.535 328.67356 0 3687.7628 -8.074052
8250 19886.764 372.84138 0 3687.3021 -13.298326
8300 21173.923 158.5106 0 3687.4978 -9.5518251
8350 20445.101 280.17375 0 3687.6906 -2.3370914
8400 18222.748 650.77372 0 3687.8984 20.90977
8450 21253.237 145.53122 0 3687.7374 0.35292148
8500 21842.717 47.582861 0 3688.0357 -20.238334
8550 21685.26 73.781781 0 3687.9918 -9.2796899
8600 19345.855 462.76597 0 3687.0751 -0.58665986
8650 21316.163 135.13667 0 3687.8306 -1.6957573
8700 21369.058 126.57065 0 3688.0802 -10.860311
8750 19781.049 391.32282 0 3688.1644 3.1612253
8800 21385.108 124.02099 0 3688.2056 -3.4873264
8850 19278.553 475.13162 0 3688.2238 0.81910384
8900 17369.506 793.84236 0 3688.7601 -40.628244
8950 16094.196 1006.0117 0 3688.3778 2.0629743
9000 20521.147 267.79738 0 3687.9885 -3.6336176
9050 20788.601 223.45804 0 3688.2248 -4.2888103
9100 17617.296 751.88551 0 3688.1015 19.580811
9150 18662.735 578.262 0 3688.7178 4.4307687
9200 21376.859 125.565 0 3688.3748 -4.9060456
9250 20291.289 305.94782 0 3687.8293 2.2695943
9300 19652.933 412.35425 0 3687.8431 -11.173517
9350 21711.377 69.686312 0 3688.2492 -0.89185439
9400 20721.11 234.3196 0 3687.838 -5.0034652
9450 19869.461 376.50024 0 3688.0771 -4.0484674
9500 20778.093 224.82968 0 3687.8453 -9.3419141
9550 19349.521 463.49677 0 3688.4169 7.2821763
9600 19950.596 363.37558 0 3688.4749 4.4951051
9650 17950.344 696.57233 0 3688.2963 -2.1058784
9700 19303.443 470.20976 0 3687.4503 7.3745293
9750 19575.95 425.60491 0 3688.2633 4.6587833
9800 20232.638 316.28985 0 3688.3962 -6.8119778
9850 18315.685 626.61681 0 3679.2309 44.209006
9900 18696.301 573.87582 0 3689.926 -13.107664
9950 16210.946 987.6856 0 3689.51 7.8659726
10000 18868.537 545.24307 0 3689.9992 -11.496391
Loop time of 11.3242 on 4 procs for 10000 steps with 81 atoms
Pair time (%) = 0.0832282 (0.734958)
Neigh time (%) = 0.0384688 (0.339704)
Comm time (%) = 3.25837 (28.7735)
Outpt time (%) = 0.143103 (1.26369)
Other time (%) = 7.80104 (68.8881)
Nlocal: 20.25 ave 81 max 0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Nghost: 51.25 ave 90 max 18 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Neighs: 316.5 ave 1266 max 0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Total # of neighbors = 1266
Ave neighs/atom = 15.6296
Neighbor list builds = 988
Dangerous builds = 901
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