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lammps/examples/rigid/log.rigid.poems.5Oct07.linux.1
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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 1 by 1 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 = 1.51254 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 -0.86699149
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 20558.971 254.36482 0 3680.8601 -3.6773953
1400 21485.029 99.812921 0 3680.6511 -16.185473
1450 21771.107 52.15961 0 3680.6775 -2.4756673
1500 21520.948 93.503926 0 3680.3286 2.1023577
1550 21351.418 121.68137 0 3680.2511 5.5159947
1600 20778.805 216.92177 0 3680.0559 15.089188
1650 21477.638 100.21836 0 3679.8247 -1.1045742
1700 18501.339 596.47916 0 3680.0357 -15.679679
1750 18563.642 587.34789 0 3681.2882 33.53221
1800 19110.185 494.8234 0 3679.8543 18.024047
1850 21364.191 119.23543 0 3679.9339 2.5291097
1900 20146.627 322.14858 0 3679.9197 5.7313185
1950 20692.672 231.25332 0 3680.0319 4.2977747
2000 20943.904 189.11229 0 3679.7629 -22.645118
2050 19668.058 401.8298 0 3679.8394 3.6251799
2100 20280.442 299.76157 0 3679.8353 7.4807895
2150 19181.854 483.52299 0 3680.4987 22.620535
2200 21300.162 130.70525 0 3680.7322 4.7102567
2250 20486.948 266.63856 0 3681.1299 -8.645617
2300 18653.145 572.24428 0 3681.1018 -5.2637694
2350 21513.521 95.615166 0 3681.2021 -9.3621252
2400 21466.273 103.56429 0 3681.2765 -29.561439
2450 20100.086 332.27439 0 3682.2887 35.745178
2500 20764.384 221.6694 0 3682.4001 -12.469215
2550 20435.636 276.32104 0 3682.2603 -22.41345
2600 21466.443 104.54014 0 3682.2807 -10.078462
2650 20813.884 213.38106 0 3682.3617 5.1419485
2700 18565.501 588.40046 0 3682.6507 22.275657
2750 20769.76 220.59385 0 3682.2204 -7.9304099
2800 21014.35 179.80288 0 3682.1946 -7.0714386
2850 16780.444 885.71086 0 3682.4515 33.327109
2900 19301.711 465.19486 0 3682.1466 7.9488604
2950 20512.279 263.32376 0 3682.037 2.2691755
3000 20616.386 246.10536 0 3682.1698 -0.87560484
3050 18546.175 591.46309 0 3682.4922 -3.563201
3100 18589.568 584.13363 0 3682.395 -1.4433707
3150 20313.633 296.70715 0 3682.3127 5.0252684
3200 19324.457 461.67431 0 3682.4171 -0.29955759
3250 21515.748 96.273451 0 3682.2314 0.46353372
3300 20101.661 331.90071 0 3682.1776 4.3088543
3350 18503.393 597.99615 0 3681.8949 1.5805082
3400 19244.218 474.12808 0 3681.4977 9.9736162
3450 20440.714 275.18246 0 3681.9682 7.5888252
3500 19184.658 485.02691 0 3682.4699 1.080181
3550 20811.39 213.54898 0 3682.1141 -8.7881254
3600 18282.078 635.00903 0 3682.022 -13.693383
3650 17410.555 780.2866 0 3682.0458 -3.1631566
3700 15750.477 1057.3064 0 3682.3859 45.727704
3750 19562.836 421.07779 0 3681.5505 0.00056675794
3800 18898.305 530.58368 0 3680.3011 -15.039302
3850 20669.98 235.8331 0 3680.8298 -16.034069
3900 19680.004 401.17798 0 3681.1787 6.3384156
3950 18711.084 562.3823 0 3680.8962 0.68109414
4000 21192.725 149.74067 0 3681.8615 -3.6868572
4050 17818.626 712.22624 0 3681.9972 -23.806685
4100 16574.851 919.48098 0 3681.9562 -3.3600075
4150 21214.106 146.18774 0 3681.8721 2.7822122
4200 19709.923 397.26964 0 3682.2568 23.638764
4250 20988.614 184.16183 0 3682.2641 5.6467392
4300 21077.245 169.45414 0 3682.3284 -3.2759267
4350 18277.342 636.18259 0 3682.4062 1.1352386
4400 18488.177 600.07191 0 3681.4347 2.5369004
4450 19815.536 379.47225 0 3682.0615 -7.589101
4500 20535.901 259.16275 0 3681.8129 -1.1505361
4550 19480.188 435.47431 0 3682.1723 10.418166
4600 20163.968 321.1522 0 3681.8135 3.5491588
4650 21245.344 140.74399 0 3681.6346 -9.0022793
4700 19839.13 375.18705 0 3681.7087 6.9271776
4750 18390.547 616.78565 0 3681.8769 1.2873012
4800 19461.935 438.17504 0 3681.8308 -0.24779292
4850 18580.433 583.20736 0 3679.9462 10.15968
4900 21197.138 148.91446 0 3681.7708 1.4637295
4950 20624.65 244.13833 0 3681.5799 2.016093
5000 16136.434 992.86482 0 3682.2705 33.241782
5050 19460.401 437.60007 0 3681.0003 -25.703635
5100 20564.687 252.20769 0 3679.6556 6.2923966
5150 18775.592 551.99046 0 3681.2559 -19.910467
5200 17221.891 808.29471 0 3678.6098 -13.507697
5250 16826.206 876.56509 0 3680.9328 3.4329372
5300 20268.599 301.83666 0 3679.9366 13.804455
5350 20793.551 215.4013 0 3680.9931 4.6113121
5400 20835.003 208.24189 0 3680.7425 6.769571
5450 21231.898 142.36703 0 3681.0167 -9.1840288
5500 21770.447 52.883524 0 3681.2913 -15.581402
5550 20640.647 241.05037 0 3681.1582 7.1067478
5600 20334.25 292.48318 0 3681.5249 12.383931
5650 21918.294 28.527054 0 3681.5761 -11.715275
5700 19864.155 370.63971 0 3681.3321 -5.2498493
5750 19557.161 421.88326 0 3681.4101 10.266535
5800 21269.731 136.5163 0 3681.4715 -10.278869
5850 21217.567 144.87176 0 3681.133 -0.80004201
5900 20918.58 195.24343 0 3681.6734 -8.150687
5950 21562.393 87.966931 0 3681.6991 -7.0807503
6000 21737.026 58.960399 0 3681.798 0.35986633
6050 17665.146 736.87753 0 3681.0686 5.2353386
6100 21598.518 82.139113 0 3681.8921 -1.2295188
6150 18494 598.69844 0 3681.0318 -0.20557282
6200 21389.01 117.09447 0 3681.9295 -3.924552
6250 16832.48 875.20604 0 3680.6194 9.2758216
6300 20843.101 207.89957 0 3681.7497 -19.64557
6350 21327.871 127.43497 0 3682.0802 4.7716137
6400 21608.557 80.648523 0 3682.0746 -4.5491081
6450 21032.73 176.63135 0 3682.0864 3.6489021
6500 20344.986 290.89434 0 3681.7254 9.8516518
6550 19678.627 402.78524 0 3682.5563 -1.8297703
6600 17295.165 800.41144 0 3682.9389 3.6350734
6650 20548.144 257.97867 0 3682.6693 -42.053008
6700 21960.005 22.70154 0 3682.7024 -0.95498082
6750 21729.937 61.095999 0 3682.7522 4.8631654
6800 18818.032 546.40725 0 3682.7459 21.542505
6850 21180.87 152.66415 0 3682.8092 0.94210334
6900 21017.834 180.10104 0 3683.0734 -4.8512427
6950 20249.327 308.22455 0 3683.1124 -2.697047
7000 16804.403 881.69219 0 3682.4261 1.8672814
7050 20279.657 302.98951 0 3682.9324 2.2881958
7100 21600.327 82.434325 0 3682.4888 -0.71488733
7150 16021.897 1012.606 0 3682.9221 56.583357
7200 21585.876 84.673045 0 3682.319 1.0609522
7250 21866.079 38.365393 0 3682.7118 -20.485438
7300 21718.522 62.96656 0 3682.7202 -15.804724
7350 18341.807 626.1345 0 3683.1024 -3.0449167
7400 17584.61 752.59621 0 3683.3646 -15.502055
7450 14531.787 1262.0109 0 3683.9753 21.248245
7500 15820.654 1048.125 0 3684.9007 25.17849
7550 17615.435 746.54205 0 3682.4478 39.804447
7600 19761.3 389.1266 0 3682.6767 9.5147819
7650 21454.416 107.12031 0 3682.8563 -9.9559239
7700 20197.058 316.83603 0 3683.0124 4.742474
7750 18807.044 548.13594 0 3682.6432 28.005474
7800 19142.369 492.54373 0 3682.9385 8.0093606
7850 20323.38 295.59155 0 3682.8216 -11.06537
7900 21545.556 92.010592 0 3682.9367 -20.340577
7950 19983.399 352.34443 0 3682.9109 -1.0225883
8000 18596.322 582.97129 0 3682.3583 -9.2255788
8050 20071.141 337.84552 0 3683.0357 -22.138623
8100 19430.684 444.54545 0 3682.9929 6.6236217
8150 20966.595 188.10226 0 3682.5347 0.45037469
8200 17353.785 789.82642 0 3682.124 -5.4857745
8250 20790.41 218.01546 0 3683.0838 -3.401976
8300 19579.367 419.49834 0 3682.7262 -5.6214778
8350 21231.377 144.24913 0 3682.812 -2.4552635
8400 20994.314 183.90301 0 3682.9554 0.095071995
8450 17006.14 848.95454 0 3683.3113 13.762064
8500 20588.71 251.32651 0 3682.7781 6.2169302
8550 17119.312 829.02788 0 3682.2466 21.594764
8600 19955.648 356.49634 0 3682.4377 -4.2906986
8650 20064.555 338.86026 0 3682.9528 2.4418342
8700 21815.373 47.176006 0 3683.0715 -10.65532
8750 19573.166 420.69112 0 3682.8854 -11.86288
8800 19075.224 503.94623 0 3683.1503 -2.9075047
8850 19983.103 352.29079 0 3682.808 -6.5233901
8900 21628.756 78.40147 0 3683.1941 -23.213756
8950 20768.076 221.96991 0 3683.3158 -12.848999
9000 18769.52 554.95281 0 3683.2062 -1.2516853
9050 20418.925 279.70082 0 3682.8549 15.795059
9100 21235.492 144.16577 0 3683.4144 -2.8745449
9150 20308.163 298.5357 0 3683.2296 10.175426
9200 20488.93 268.90566 0 3683.7273 2.9744326
9250 17939.75 693.95577 0 3683.914 12.605468
9300 19961.431 356.63888 0 3683.544 1.1526025
9350 20418.7 281.34639 0 3684.4631 3.5224017
9400 21756.794 58.517344 0 3684.6496 -1.2543867
9450 20929.831 196.58312 0 3684.8883 0.61816446
9500 21842.678 44.698866 0 3685.1452 0.23812689
9550 21396.395 119.31226 0 3685.3781 2.9019136
9600 21695.084 69.592359 0 3685.4397 0.68235849
9650 19127.666 497.51185 0 3685.4562 23.414175
9700 21230.062 147.665 0 3686.0087 -12.323134
9750 20439.098 279.59746 0 3686.1138 -11.130897
9800 21259.664 142.88258 0 3686.16 -4.3304364
9850 19603.642 418.95384 0 3686.2275 -13.94962
9900 17158.838 827.02756 0 3686.8339 -20.351863
9950 18889.705 537.16225 0 3685.4464 4.9756305
10000 19780.534 387.817 0 3684.5727 -8.8256708
Loop time of 7.28886 on 1 procs for 10000 steps with 81 atoms
Pair time (%) = 0.286603 (3.93207)
Neigh time (%) = 0.125768 (1.72548)
Comm time (%) = 0.0176864 (0.242649)
Outpt time (%) = 0.0288253 (0.39547)
Other time (%) = 6.82998 (93.7043)
Nlocal: 81 ave 81 max 81 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 64 ave 64 max 64 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1018 ave 1018 max 1018 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1018
Ave neighs/atom = 12.5679
Neighbor list builds = 990
Dangerous builds = 920
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