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lammps/examples/rigid/log.rigid.poems.7Jul09.linux.1
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LAMMPS (7 Jul 2009)
# 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 9 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 = 1.70328 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 82.139112 0 3681.8921 -1.2295188
6150 18494 598.69844 0 3681.0318 -0.20557276
6200 21389.01 117.09447 0 3681.9295 -3.924552
6250 16832.48 875.20604 0 3680.6194 9.2758218
6300 20843.101 207.89957 0 3681.7497 -19.64557
6350 21327.871 127.43496 0 3682.0802 4.7716132
6400 21608.557 80.648525 0 3682.0746 -4.5491082
6450 21032.73 176.63135 0 3682.0864 3.6489024
6500 20344.987 290.8943 0 3681.7254 9.8516499
6550 19678.626 402.78527 0 3682.5563 -1.8297694
6600 17295.165 800.41146 0 3682.9389 3.6350738
6650 20548.144 257.97873 0 3682.6693 -42.05301
6700 21960.005 22.701541 0 3682.7024 -0.95498029
6750 21729.937 61.096002 0 3682.7522 4.8631652
6800 18818.035 546.40671 0 3682.7459 21.54246
6850 21180.871 152.66411 0 3682.8092 0.94209582
6900 21017.832 180.10147 0 3683.0734 -4.8512515
6950 20249.329 308.2243 0 3683.1124 -2.6970441
7000 16804.378 881.69654 0 3682.4261 1.8674304
7050 20279.639 302.9926 0 3682.9324 2.2882089
7100 21600.318 82.43581 0 3682.4888 -0.71486428
7150 16021.959 1012.5955 0 3682.9219 56.58285
7200 21585.896 84.669721 0 3682.319 1.060683
7250 21866.085 38.36431 0 3682.7118 -20.485419
7300 21718.518 62.967065 0 3682.7201 -15.805437
7350 18342.257 626.05933 0 3683.1022 -3.043995
7400 17585.563 752.4367 0 3683.3638 -15.498606
7450 14528.846 1262.5094 0 3683.9838 21.254966
7500 15820.666 1048.1264 0 3684.904 25.125876
7550 17630.095 744.07477 0 3682.4239 39.589015
7600 19755.97 390.01252 0 3682.6742 9.5527462
7650 21458.765 106.39492 0 3682.8557 -9.936815
7700 20195.194 317.14575 0 3683.0115 4.7293356
7750 18732.191 560.63272 0 3682.6646 29.587235
7800 19116.166 496.9194 0 3682.9471 8.01901
7850 20280.124 302.81132 0 3682.8321 -11.043326
7900 21584.811 85.465061 0 3682.9335 -20.236362
7950 19984.439 352.33839 0 3683.0782 -1.5496264
8000 18125.139 661.57474 0 3682.4312 -4.8267022
8050 19855.454 373.83997 0 3683.0824 -22.955733
8100 20400.376 282.70579 0 3682.7684 2.0217495
8150 20845.356 208.15672 0 3682.3827 -4.1597311
8200 20205.92 314.8131 0 3682.4664 -5.9347186
8250 18738.9 560.91355 0 3684.0635 2.0453533
8300 18607.944 580.69362 0 3682.0176 8.2163881
8350 16196.778 985.05148 0 3684.5144 8.3636546
8400 17585.741 752.82214 0 3683.779 -19.614442
8450 19511.86 430.32203 0 3682.2986 5.0608865
8500 20344.705 291.77489 0 3682.559 8.8918697
8550 19569.705 421.04089 0 3682.6585 8.4785194
8600 20289.223 300.95145 0 3682.4886 -3.9742259
8650 20379.787 286.55509 0 3683.1863 2.4827334
8700 21154.115 157.61851 0 3683.3043 -16.912866
8750 21472.217 104.41783 0 3683.1206 -21.300046
8800 21760.162 55.671759 0 3682.3654 -0.75786283
8850 20692.844 232.77873 0 3681.5861 6.3078965
8900 20153.783 322.18497 0 3681.1488 8.7099041
8950 19227.235 476.49095 0 3681.0302 7.8953617
9000 20017.406 344.69787 0 3680.9322 4.6812502
9050 21920.802 27.552335 0 3681.0194 -10.804625
9100 15935.584 1026.2618 0 3682.1926 22.793783
9150 21442.198 106.89206 0 3680.5917 -11.609027
9200 19035.95 507.80063 0 3680.459 -4.9227937
9250 20697.672 230.59419 0 3680.2062 -15.921697
9300 19859.816 369.18531 0 3679.1546 13.040337
9350 21181.669 149.7683 0 3680.0465 -15.76144
9400 20944.752 188.76152 0 3679.5535 -2.2751162
9450 20241.642 305.75441 0 3679.3615 4.6023616
9500 17745.73 721.6338 0 3679.2554 5.0753949
9550 18246.781 638.2829 0 3679.413 1.0522421
9600 20638.149 239.65443 0 3679.3459 4.3928288
9650 18215.957 643.21932 0 3679.2121 24.221766
9700 20328.363 290.95626 0 3679.0168 -0.15311046
9750 20900.251 195.40818 0 3678.7834 -7.254656
9800 20740.739 221.81279 0 3678.6027 -0.25607258
9850 21538.915 88.737884 0 3678.5571 1.9528485
9900 19690.077 396.95803 0 3678.6375 1.6169288
9950 20574.352 249.26902 0 3678.3277 5.9594646
10000 20861.51 201.85286 0 3678.7712 -0.64028741
Loop time of 7.25454 on 1 procs for 10000 steps with 81 atoms
Pair time (%) = 0.282433 (3.89319)
Neigh time (%) = 0.125768 (1.73364)
Comm time (%) = 0.0171874 (0.236919)
Outpt time (%) = 0.0308504 (0.425257)
Other time (%) = 6.7983 (93.711)
Nlocal: 81 ave 81 max 81 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 72 ave 72 max 72 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1038 ave 1038 max 1038 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1038
Ave neighs/atom = 12.8148
Neighbor list builds = 991
Dangerous builds = 926
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