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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1395 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2008-01-18 21:48:26 +00:00
parent cd1297d507
commit fd0e404679
64 changed files with 2644 additions and 2937 deletions
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16
examples/rigid/log.rigid.5Oct07.linux.1 → examples/rigid/log.rigid.22Jan08.linux.1
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@ -1,4 +1,4 @@
LAMMPS (5 Oct 2007)
LAMMPS (22 Jan 2008)
# Simple rigid body system
units lj
@ -82,7 +82,7 @@ dump 1 all atom 50 dump.rigid
timestep 0.0001
thermo 50
run 10000
Memory usage per processor = 1.43563 Mbytes
Memory usage per processor = 1.62637 Mbytes
Step Temp E_pair E_mol TotEng Press
0 115.29439 5235.9179 0 5272.2142 -2.7403788
50 14910.685 571.71558 0 5265.82 32.006171
@ -285,13 +285,13 @@ Step Temp E_pair E_mol TotEng Press
9900 16738.489 -0.00024984585 0 5269.5242 11.395084
9950 16738.49 0 0 5269.5245 11.395076
10000 16738.49 0 0 5269.5246 11.395075
Loop time of 0.238152 on 1 procs for 10000 steps with 81 atoms
Loop time of 0.235085 on 1 procs for 10000 steps with 81 atoms
Pair time (%) = 0.0150669 (6.32658)
Neigh time (%) = 0.0412273 (17.3114)
Comm time (%) = 0.0171158 (7.18694)
Outpt time (%) = 0.0322838 (13.556)
Other time (%) = 0.132458 (55.6191)
Pair time (%) = 0.0157146 (6.68466)
Neigh time (%) = 0.0421674 (17.9371)
Comm time (%) = 0.0163469 (6.95363)
Outpt time (%) = 0.0261998 (11.1448)
Other time (%) = 0.134656 (57.2798)
Nlocal: 81 ave 81 max 81 min
Histogram: 1 0 0 0 0 0 0 0 0 0

16
examples/rigid/log.rigid.5Oct07.linux.4 → examples/rigid/log.rigid.22Jan08.linux.4
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@ -1,4 +1,4 @@
LAMMPS (5 Oct 2007)
LAMMPS (22 Jan 2008)
# Simple rigid body system
units lj
@ -82,7 +82,7 @@ dump 1 all atom 50 dump.rigid
timestep 0.0001
thermo 50
run 10000
Memory usage per processor = 1.24703 Mbytes
Memory usage per processor = 1.59069 Mbytes
Step Temp E_pair E_mol TotEng Press
0 115.29439 5235.9179 0 5272.2142 -2.7403788
50 14910.685 571.71558 0 5265.82 32.006171
@ -285,13 +285,13 @@ Step Temp E_pair E_mol TotEng Press
9900 16738.489 -0.00024984583 0 5269.5242 11.395084
9950 16738.49 0 0 5269.5245 11.395076
10000 16738.49 0 0 5269.5246 11.395075
Loop time of 3.81069 on 4 procs for 10000 steps with 81 atoms
Loop time of 4.3193 on 4 procs for 10000 steps with 81 atoms
Pair time (%) = 0.0082444 (0.216349)
Neigh time (%) = 0.016715 (0.438635)
Comm time (%) = 2.8372 (74.4536)
Outpt time (%) = 0.140581 (3.68912)
Other time (%) = 0.807955 (21.2023)
Pair time (%) = 0.00839633 (0.194391)
Neigh time (%) = 0.0188292 (0.435933)
Comm time (%) = 3.17395 (73.4829)
Outpt time (%) = 0.168198 (3.89411)
Other time (%) = 0.949927 (21.9926)
Nlocal: 20.25 ave 38 max 3 min
Histogram: 1 0 1 0 0 0 1 0 0 1

182
examples/rigid/log.rigid.poems.5Oct07.linux.1 → examples/rigid/log.rigid.poems.22Jan08.linux.1
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@ -1,4 +1,4 @@
LAMMPS (5 Oct 2007)
LAMMPS (22 Jan 2008)
# Simple rigid body system
units lj
@ -82,7 +82,7 @@ dump 1 all atom 50 dump.rigid
timestep 0.0001
thermo 50
run 10000
Memory usage per processor = 1.51254 Mbytes
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
@ -206,101 +206,101 @@ Step Temp E_pair E_mol TotEng Press
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
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 9.2758216
6250 16832.48 875.20604 0 3680.6194 9.2758218
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
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 7.25136 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)
Pair time (%) = 0.280846 (3.87301)
Neigh time (%) = 0.125411 (1.72948)
Comm time (%) = 0.0173204 (0.238857)
Outpt time (%) = 0.0274284 (0.378252)
Other time (%) = 6.80035 (93.7804)
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
Nghost: 72 ave 72 max 72 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1018 ave 1018 max 1018 min
Neighs: 1038 ave 1038 max 1038 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
Total # of neighbors = 1038
Ave neighs/atom = 12.8148
Neighbor list builds = 991
Dangerous builds = 926

158
examples/rigid/log.rigid.poems.5Oct07.linux.4 → examples/rigid/log.rigid.poems.22Jan08.linux.4
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@ -1,4 +1,4 @@
LAMMPS (5 Oct 2007)
LAMMPS (22 Jan 2008)
# Simple rigid body system
units lj
@ -82,7 +82,7 @@ dump 1 all atom 50 dump.rigid
timestep 0.0001
thermo 50
run 10000
Memory usage per processor = 1.32349 Mbytes
Memory usage per processor = 1.66715 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
@ -221,86 +221,86 @@ Step Temp E_pair E_mol TotEng Press
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
6850 19840.599 379.89398 0 3686.6604 2.2347728
6900 19953.112 361.20748 0 3686.7261 -0.46915334
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
7000 20429.395 281.81167 0 3686.7108 3.4039582
7050 20467.147 275.61561 0 3686.8067 2.9208489
7100 19080.701 505.64774 0 3685.7645 12.174506
7150 18840.308 545.83721 0 3685.8886 -6.6402164
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
7250 21920.551 33.452671 0 3686.8779 -10.072614
7300 21189.411 155.39429 0 3686.9628 -4.8676358
7350 21124.285 166.49631 0 3687.2104 4.2436664
7400 20355.482 294.78497 0 3687.3653 4.6061221
7450 21093.692 171.68559 0 3687.301 6.0558915
7500 20270.87 308.63445 0 3687.1128 6.2719486
7550 19433.602 448.40677 0 3687.3404 -5.6016357
7600 20240.238 312.79173 0 3686.1647 -3.0011467
7650 19792.109 387.119 0 3685.8039 -10.580457
7700 14157.419 1328.0907 0 3687.6605 32.611071
7750 17338.754 796.44034 0 3686.2326 0.86175706
7800 19338.946 460.75469 0 3683.9123 -1.447495
7850 16030.091 1014.9705 0 3686.6524 14.019933
7900 19628.33 415.39423 0 3686.7825 20.701791
7950 18150.717 661.47911 0 3686.5986 -32.476748
8000 19007.599 520.08749 0 3688.0206 -28.168071
8050 17980.675 690.25759 0 3687.0368 4.4511504
8100 17755.592 727.97864 0 3687.244 14.484039
8150 19719.036 401.12252 0 3687.6285 10.139703
8200 20206.271 319.78443 0 3687.4963 2.6525333
8250 19142.437 497.06826 0 3687.4744 -6.9317419
8300 20331.241 299.00742 0 3687.5477 -0.95816396
8350 20774.563 225.32684 0 3687.754 4.8719815
8400 19985.962 356.99081 0 3687.9846 4.8325753
8450 20275.354 308.64721 0 3687.8729 -7.8397818
8500 21079.156 174.56708 0 3687.7598 -13.823972
8550 20709.01 236.36299 0 3687.8647 0.40092021
8600 19170.162 492.90906 0 3687.9361 -11.472935
8650 21372.968 125.61953 0 3687.7809 -10.410552
8700 18221.303 651.84494 0 3688.7287 8.2187226
8750 20642.357 247.40387 0 3687.7968 0.7210003
8800 16335.403 966.18976 0 3688.757 39.333007
8850 19371.075 459.85041 0 3688.3628 -3.8523819
8900 17301.339 805.68567 0 3689.2422 28.65235
8950 20681.779 241.47417 0 3688.4373 -4.118774
9000 20254.54 312.02857 0 3687.7852 -12.844695
9050 20345.188 297.61274 0 3688.4773 6.0688854
9100 21395.82 122.55534 0 3688.5253 -2.9714765
9150 20547.045 264.03422 0 3688.5417 7.9840299
9200 20458.955 278.89113 0 3688.717 -7.3675154
9250 21553.459 96.718566 0 3688.9617 -16.511845
9300 21791.079 57.139424 0 3688.9859 -9.7252419
9350 18105.817 667.20174 0 3684.8379 8.34612
9400 20716.075 235.60875 0 3688.2879 -3.6694637
9450 17323.793 800.75759 0 3688.0564 23.727483
9500 21699.072 71.60915 0 3688.1212 -20.010116
9550 20623.869 250.24107 0 3687.5526 -16.868229
9600 20926.325 199.40734 0 3687.1282 -7.6363545
9650 17859.603 709.98104 0 3686.5816 36.736527
9700 20198.022 319.33287 0 3685.6698 6.8254744
9750 20153.898 325.80574 0 3684.7887 -1.3328209
9800 17873.089 707.74921 0 3686.5973 45.940695
9850 20133.06 330.29907 0 3685.809 -10.579343
9900 20831.124 213.97543 0 3685.8294 -23.250883
9950 20257.767 308.71666 0 3685.0111 -9.1959081
10000 21123.35 164.53453 0 3685.0929 2.4217121
Loop time of 11.8231 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)
Pair time (%) = 0.0847651 (0.716943)
Neigh time (%) = 0.0420694 (0.355823)
Comm time (%) = 3.50799 (29.6706)
Outpt time (%) = 0.162343 (1.3731)
Other time (%) = 8.02595 (67.8835)
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
Nlocal: 20.25 ave 72 max 0 min
Histogram: 2 1 0 0 0 0 0 0 0 1
Nghost: 26.75 ave 67 max 1 min
Histogram: 2 0 0 0 0 1 0 0 0 1
Neighs: 211.75 ave 845 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
Total # of neighbors = 847
Ave neighs/atom = 10.4568
Neighbor list builds = 990
Dangerous builds = 919

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LAMMPS (22 Jan 2008)
# 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
#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 = 2.04938 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 0.31444672
1400 18549.582 329.31436 0 3764.4221 10.738303
1450 15163.926 957.47584 0 3765.6103 -17.923459
1500 19223.688 204.15171 0 3764.0939 -1.6134537
1550 18147.996 404.12676 0 3764.8668 8.4194772
1600 18615.043 317.42465 0 3764.6548 -2.3288964
1650 20120.654 38.887931 0 3764.935 -8.7620234
1700 19450.906 162.98288 0 3765.0025 2.3254699
1750 19374.633 177.3795 0 3765.2744 8.9328779
1800 19424.403 167.93973 0 3765.0514 0.081235304
1850 17936.331 442.82718 0 3764.3699 6.6008391
1900 19982.596 64.40603 0 3764.8868 -2.9530194
1950 16215.981 761.88879 0 3764.8481 13.994088
2000 18584.381 322.128 0 3763.68 7.1655135
2050 20107.966 41.025597 0 3764.723 -0.31094122
2100 20002.35 60.589881 0 3764.7288 -6.7919416
2150 16949.562 626.63321 0 3765.441 3.5096306
2200 20010.952 58.808561 0 3764.5403 -10.86228
2250 18982.725 247.00987 0 3762.3292 -0.53791914
2300 18401.372 354.86612 0 3762.5275 1.0918754
2350 19390.489 172.94794 0 3763.7793 -3.3526861
2400 16081.953 786.17478 0 3764.3143 -16.196885
2450 18870.833 268.6722 0 3763.2708 11.190569
2500 19687.509 117.72716 0 3763.5621 4.3895758
2550 18872.588 268.46009 0 3763.3837 -5.65615
2600 17016.358 612.26248 0 3763.4398 6.3212358
2650 18770.003 287.95778 0 3763.8843 2.3918934
2700 19736.664 108.26363 0 3763.2014 -0.29985725
2750 19503.072 151.75954 0 3763.4396 -1.6107925
2800 18406.518 353.53932 0 3762.1537 21.011955
2850 18588.513 320.69227 0 3763.0095 3.8268039
2900 20117.999 37.673729 0 3763.2291 0.3860655
2950 15648.583 864.90426 0 3762.79 14.652139
3000 18110.003 409.12743 0 3762.8316 7.3046684
3050 18963.762 251.51142 0 3763.3192 8.8730034
3100 19360.233 177.87688 0 3763.1052 -3.0033938
3150 19397.488 171.24407 0 3763.3715 -8.1894526
3200 19861.487 85.443126 0 3763.4963 -7.9892279
3250 18129.617 406.07108 0 3763.4075 6.2227523
3300 18459.736 345.12838 0 3763.5981 -0.88498697
3350 18418.177 352.87007 0 3763.6435 5.1465625
3400 18198.837 393.573 0 3763.7281 17.906813
3450 19394.696 171.91336 0 3763.5237 2.3061791
3500 17989.508 431.57014 0 3762.9605 4.7721744
3550 19839.796 89.461378 0 3763.4977 0.7558346
3600 16651.367 679.91968 0 3763.5062 2.5921986
3650 19640.802 126.3709 0 3763.5565 3.8008774
3700 18760.791 289.23461 0 3763.4552 -0.23238761
3750 18422.908 351.84447 0 3763.494 -5.7068362
3800 19064.373 232.62149 0 3763.0609 1.9157181
3850 20028.174 54.865473 0 3763.7867 -2.0675059
3900 18363.88 363.15521 0 3763.8738 -0.83495509
3950 19144.012 218.22273 0 3763.4102 1.2543164
4000 17659.248 492.75853 0 3762.9896 12.60409
4050 19998.728 60.090184 0 3763.5584 0.64359974
4100 19023.135 240.33019 0 3763.133 -2.6947304
4150 18396.797 356.71902 0 3763.5332 15.109139
4200 18315.833 371.47968 0 3763.3006 -13.756621
4250 18854.397 272.12483 0 3763.6798 8.1077459
4300 18978.728 248.78988 0 3763.3692 -3.3208462
4350 18786.658 284.24444 0 3763.2551 -1.7398125
4400 18820.575 278.09291 0 3763.3846 6.4475568
4450 19690.377 117.11929 0 3763.4855 4.012577
4500 14617.737 1056.5845 0 3763.5729 7.0245567
4550 18625.243 314.21779 0 3763.3369 4.0564911
4600 19360.387 178.72404 0 3763.9809 0.33263149
4650 19620.797 130.21216 0 3763.693 -5.4726773
4700 19197.021 208.91339 0 3763.9173 -1.8042436
4750 19411.985 169.01841 0 3763.8304 -10.694251
4800 19056.192 234.93386 0 3763.8583 -2.7041261
4850 19709.453 113.94779 0 3763.8465 1.8599983
4900 19362.257 178.19337 0 3763.7966 5.1912208
4950 18337.767 368.49428 0 3764.377 18.140067
5000 19888.24 81.111906 0 3764.1194 2.5600957
5050 19611.529 132.35796 0 3764.1227 -3.3822641
5100 19566.081 140.69528 0 3764.0437 1.2449896
5150 19532.854 146.74524 0 3763.9404 3.8524377
5200 19373.811 176.3264 0 3764.0692 -4.3051482
5250 19698.182 116.23114 0 3764.0427 -5.0585702
5300 18474.212 342.91742 0 3764.0679 -1.6019006
5350 19635.571 127.66714 0 3763.884 3.7584612
5400 18607.657 318.08369 0 3763.9462 10.762902
5450 19588.259 136.49518 0 3763.9505 6.1172117
5500 19765.157 103.83083 0 3764.045 0.36918158
5550 18217.985 390.52967 0 3764.2305 18.816738
5600 19679.936 119.65589 0 3764.0885 1.7284717
5650 18768.785 288.29767 0 3763.9986 -1.7550105
5700 18474.924 342.54508 0 3763.8273 -0.47116767
5750 19654.098 123.76064 0 3763.4084 2.9224335
5800 19969.149 65.437823 0 3763.4283 1.5579018
5850 19197.889 208.36188 0 3763.5265 10.018565
5900 19069.242 232.23165 0 3763.5727 -2.3495992
5950 19171.042 213.33502 0 3763.5281 4.3208294
6000 19631.089 128.17938 0 3763.5662 5.1040226
6050 17777.019 470.94145 0 3762.9819 3.2383249
6100 19181.825 211.41374 0 3763.6035 3.2259341
6150 20185.733 25.759429 0 3763.8581 -4.4522835
6200 19874.491 83.403238 0 3763.8645 -8.6039321
6250 19768.708 102.9028 0 3763.7747 -8.5795285
6300 18936.55 256.8797 0 3763.6482 0.20667479
6350 19346.44 180.9489 0 3763.6229 7.6373366
6400 19167.283 214.16073 0 3763.6576 5.4329755
6450 19757 104.94544 0 3763.6491 1.9851548
6500 19641.69 126.44473 0 3763.7947 1.2730006
6550 18916.37 260.97919 0 3764.0107 1.6515332
6600 19431.157 165.31798 0 3763.6804 -7.8268121
6650 17535.67 516.82965 0 3764.176 7.7374819
6700 18820.205 278.4336 0 3763.6568 -11.297168
6750 19400.73 170.37067 0 3763.0984 0.79131515
6800 18455.468 345.88629 0 3763.5655 12.188053
6850 17800.169 467.12041 0 3763.448 12.916841
6900 18726.929 295.65024 0 3763.6 1.6289629
6950 19271.689 194.65896 0 3763.4902 -4.083701
7000 17981.935 433.45886 0 3763.4468 -6.3945803
7050 18276.81 378.6811 0 3763.2756 12.872885
7100 17861.241 455.74244 0 3763.3797 8.4221303
7150 20051.69 49.967954 0 3763.2438 -2.5498008
7200 19240.155 200.06954 0 3763.0612 11.392096
7250 19496.154 152.73815 0 3763.137 -0.040582106
7300 19647.869 124.5004 0 3762.9946 0.23514871
7350 19246.833 198.85412 0 3763.0825 -0.73645767
7400 19225.995 202.68281 0 3763.0522 3.0455791
7450 18020.098 426.17136 0 3763.2266 -6.5226863
7500 19214.283 204.97935 0 3763.1798 -0.2919171
7550 19705.287 114.13715 0 3763.2643 7.041629
7600 19178.956 211.59688 0 3763.2554 7.831605
7650 20037.443 52.751944 0 3763.3896 -0.77979354
7700 20016.2 56.704511 0 3763.4082 -1.8856173
7750 18697.512 300.96503 0 3763.4672 -5.3462105
7800 19937.068 71.362135 0 3763.4118 -0.91252014
7850 20102.546 40.714553 0 3763.4083 -3.1972795
7900 19480.106 155.99043 0 3763.4174 11.035723
7950 19885.239 80.923563 0 3763.3753 3.2874193
8000 19624.804 129.16452 0 3763.3874 -1.1516066
8050 19803.792 96.006636 0 3763.3755 1.9821101
8100 20011.845 57.495451 0 3763.3927 1.2382066
8150 19200.484 207.59204 0 3763.2373 6.0568259
8200 19827.269 91.624126 0 3763.3407 1.9883126
8250 19842.958 88.703224 0 3763.3251 -4.5756698
8300 18873.776 268.18104 0 3763.3247 -3.7359417
8350 19486.037 154.68335 0 3763.2087 0.8929882
8400 19934.053 71.48369 0 3762.975 0.08234901
8450 19683.678 117.78109 0 3762.9067 -11.54709
8500 18499.903 337.24598 0 3763.1539 -3.5045806
8550 19753.252 104.83934 0 3762.849 5.8791033
8600 20095.096 41.775811 0 3763.0899 -2.0563082
8650 19876.199 82.371224 0 3763.1489 -2.4348814
8700 15533.887 886.73227 0 3763.378 -6.6646724
8750 17890.913 450.07003 0 3763.202 9.4926975
8800 18705.916 298.95593 0 3763.0144 2.1309021
8850 19505.191 150.78385 0 3762.8563 3.9049146
8900 17389.794 540.29795 0 3760.6302 10.005241
8950 18715.055 297.10888 0 3762.8597 4.8803289
9000 19744.23 106.46616 0 3762.805 0.10287172
9050 19838.109 89.008308 0 3762.7321 -4.7062413
9100 17764.056 473.0557 0 3762.6957 3.8896676
9150 17181.335 580.10083 0 3761.8295 11.628818
9200 19223.407 202.50436 0 3762.3945 0.1590941
9250 15947.899 808.02603 0 3761.3407 12.151805
9300 19300.071 188.02038 0 3762.1075 -0.37927009
9350 18285.048 375.69389 0 3761.8139 -1.4254912
9400 19384.709 172.87653 0 3762.6374 0.95001481
9450 16817.179 648.70645 0 3762.9988 -1.3207316
9500 18964.068 250.55459 0 3762.419 1.6533798
9550 19754.429 103.95948 0 3762.1871 -4.5609305
9600 19811.139 93.102298 0 3761.8317 3.7563831
9650 19152.708 215.04016 0 3761.838 12.440802
9700 19963.416 65.083015 0 3762.0119 -3.0218611
9750 19895.404 77.764801 0 3762.0988 -5.3121454
9800 19008.238 242.21067 0 3762.2548 -3.8985859
9850 19681.717 117.48371 0 3762.2461 -4.3300452
9900 19741.039 106.38351 0 3762.1314 -0.15155351
9950 17199.878 577.88679 0 3763.0494 13.40024
10000 18985.433 246.5308 0 3762.3518 0.62625708
Loop time of 7.54982 on 1 procs for 10000 steps with 81 atoms
Pair time (%) = 0.212344 (2.81257)
Neigh time (%) = 0.0943768 (1.25005)
Comm time (%) = 0.0214007 (0.283459)
Outpt time (%) = 0.0292683 (0.387668)
Other time (%) = 7.19243 (95.2663)
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: 621 ave 621 max 621 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 621
Ave neighs/atom = 7.66667
Neighbor list builds = 995
Dangerous builds = 967

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LAMMPS (22 Jan 2008)
# 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
#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 15163.926 957.47584 0 3765.6103 -17.923459
1500 19223.688 204.15173 0 3764.0939 -1.6134533
1550 18147.996 404.12676 0 3764.8668 8.4194777
1600 18615.043 317.42467 0 3764.6548 -2.3288946
1650 20120.654 38.887921 0 3764.935 -8.762026
1700 19450.907 162.98278 0 3765.0025 2.3254718
1750 19374.632 177.37959 0 3765.2744 8.9328776
1800 19424.403 167.93969 0 3765.0514 0.081232329
1850 17936.282 442.8362 0 3764.3699 6.6009729
1900 19982.596 64.40613 0 3764.8868 -2.9529967
1950 16215.904 761.90316 0 3764.8484 13.994458
2000 18584.405 322.1235 0 3763.68 7.165446
2050 20107.966 41.025691 0 3764.723 -0.3109207
2100 20002.34 60.591745 0 3764.7288 -6.7919639
2150 16949.68 626.61132 0 3765.441 3.5092215
2200 20010.952 58.808395 0 3764.5403 -10.862215
2250 18982.727 247.0094 0 3762.3292 -0.53801024
2300 18401.329 354.87401 0 3762.5275 1.0919825
2350 19390.509 172.94434 0 3763.7793 -3.3525766
2400 16081.279 786.29986 0 3764.3144 -16.198999
2450 18870.586 268.71771 0 3763.2706 11.19479
2500 19687.968 117.64184 0 3763.5619 4.3854981
2550 18871.552 268.652 0 3763.3839 -5.6598123
2600 17018.095 611.94054 0 3763.4396 6.3151274
2650 18759.886 289.83493 0 3763.8878 2.4039285
2700 19740.164 107.62639 0 3763.2122 -0.31805782
2750 19516.266 149.31294 0 3763.4362 -1.6224242
2800 18358.662 362.49198 0 3762.2443 21.770839
2850 18467.52 343.09706 0 3763.0082 4.3423041
2900 20135.574 34.417701 0 3763.2277 0.85884412
2950 15515.162 889.21195 0 3762.3902 14.080582
3000 17723.38 481.44112 0 3763.5486 14.722181
3050 18381.135 359.45826 0 3763.3721 9.9835573
3100 18332.511 367.78446 0 3762.694 -7.3886751
3150 18614.425 316.10349 0 3763.2192 -7.7456785
3200 19729.937 109.55581 0 3763.2478 -7.7288745
3250 19571.827 138.77846 0 3763.1909 5.3260619
3300 19186.832 210.15314 0 3763.2701 7.0964224
3350 19051.087 235.32511 0 3763.3042 7.0039981
3400 17984.109 432.92549 0 3763.316 19.525696
3450 19816.122 93.46903 0 3763.1212 0.93406363
3500 16116.959 778.80017 0 3763.4223 -16.393122
3550 18360.763 362.74217 0 3762.8834 -1.6392609
3600 17932.893 442.36815 0 3763.2742 -4.5284033
3650 19361.757 177.48543 0 3762.996 2.9534892
3700 16171.988 768.78945 0 3763.6021 13.745857
3750 20139.429 33.883266 0 3763.4072 -3.2396898
3800 18827.574 276.59438 0 3763.1822 2.0190596
3850 19014.653 242.23251 0 3763.4646 2.3020369
3900 19035.411 238.45939 0 3763.5355 4.6373723
3950 19853.791 86.8932 0 3763.5212 4.0194756
4000 17410.265 538.42567 0 3762.5488 17.95381
4050 18206.278 391.36957 0 3762.9025 -13.769983
4100 18808.965 279.8479 0 3762.9896 6.0082648
4150 19232.014 202.09792 0 3763.582 -10.281477
4200 18792.127 283.21841 0 3763.242 -10.635301
4250 19145.491 217.48336 0 3762.9447 2.1471563
4300 19664.887 121.93826 0 3763.5839 -2.0730994
4350 19700.745 115.21856 0 3763.5047 2.8774214
4400 19578.899 137.66468 0 3763.3866 8.4984611
4450 18859.58 271.0341 0 3763.5489 5.2645569
4500 18464.886 343.87376 0 3763.2971 3.3130349
4550 19630.341 128.23266 0 3763.4811 4.2969524
4600 19437.701 164.00094 0 3763.5752 5.1130661
4650 19755.71 105.08536 0 3763.5503 -0.6517046
4700 19462.629 158.25383 0 3762.4444 -0.30468036
4750 19907.555 76.921174 0 3763.5055 3.4400883
4800 17463.04 529.62954 0 3763.5258 -18.109666
4850 18843.915 273.9062 0 3763.52 6.1277136
4900 19932.837 72.164658 0 3763.4308 3.8475873
4950 18789.577 283.59769 0 3763.149 11.854926
5000 19848.608 87.756004 0 3763.4242 -2.9271941
5050 19386.057 173.20964 0 3763.2202 -14.592158
5100 19562.287 140.98305 0 3763.6288 1.469574
5150 19768.169 102.77988 0 3763.5518 1.109855
5200 16491.44 708.59683 0 3762.5672 30.415205
5250 18348.29 365.43425 0 3763.2658 2.133794
5300 18310.805 372.23677 0 3763.1266 3.6232592
5350 19442.213 162.69223 0 3763.1021 -2.2352529
5400 19108.516 224.58431 0 3763.1983 -5.4827686
5450 19038.769 237.71604 0 3763.414 2.2536906
5500 18915.343 260.50945 0 3763.3508 6.4433856
5550 19806.543 95.410393 0 3763.2888 7.1573806
5600 19586.43 136.20593 0 3763.3226 4.2084232
5650 18934.674 256.87502 0 3763.296 1.0652817
5700 19379.411 174.63723 0 3763.4171 -16.099846
5750 17966.907 435.65528 0 3762.8602 15.573477
5800 18863.305 270.01624 0 3763.2208 3.2727217
5850 17928.61 443.11194 0 3763.2249 -0.37865943
5900 17379.69 544.76612 0 3763.2272 -5.7065719
5950 18361.744 362.60908 0 3762.932 -4.3958323
6000 18704.038 298.94878 0 3762.6594 6.898019
6050 15936.467 810.92728 0 3762.1249 18.422274
6100 17071.849 601.99083 0 3763.4443 4.2280601
6150 19822.301 92.132151 0 3762.9286 1.6855602
6200 19163.87 214.14753 0 3763.0124 5.3184996
6250 20161.078 29.407194 0 3762.9401 -0.67242018
6300 18796.357 282.07065 0 3762.8776 8.1775067
6350 19366.986 176.12874 0 3762.6076 -2.7479103
6400 19425.061 165.31052 0 3762.544 -12.916694
6450 17189.915 578.9515 0 3762.2691 4.9303412
6500 19875.308 81.917933 0 3762.5306 -0.93951735
6550 18302.585 372.46303 0 3761.8306 1.9560909
6600 19877.135 81.515781 0 3762.4668 -1.3991682
6650 19694.771 114.94067 0 3762.1205 -15.72083
6700 20049.45 49.38756 0 3762.2486 1.323048
6750 19113.647 222.15998 0 3761.7242 -6.1599285
6800 19405.364 168.71339 0 3762.2994 -4.3191765
6850 18441.771 346.66103 0 3761.8039 19.964057
6900 19544.094 143.03104 0 3762.3077 -3.41341
6950 19896.176 77.856807 0 3762.3338 0.11828835
7000 18710.926 297.28247 0 3762.2688 -0.59552027
7050 19226.752 202.05067 0 3762.5602 -1.8533644
7100 19320.172 184.76008 0 3762.5698 7.7909331
7150 19780.388 99.586065 0 3762.6209 8.2095401
7200 19088.724 227.32895 0 3762.2778 7.6855317
7250 19776.649 100.32237 0 3762.6648 0.94044622
7300 18507.22 335.55097 0 3762.814 -6.1662299
7350 17885.867 450.59261 0 3762.7901 1.2499902
7400 18262.199 380.80199 0 3762.6908 7.3392868
7450 19049.569 234.51188 0 3762.2099 5.1244012
7500 19553.726 141.36592 0 3762.4263 -3.8237895
7550 20185.751 24.610159 0 3762.7121 -10.932579
7600 17392.717 541.77079 0 3762.6442 -0.43384802
7650 20068.739 46.210036 0 3762.6432 -0.6828593
7700 17724.249 480.46375 0 3762.7321 4.6817369
7750 17343.196 551.13155 0 3762.8346 -2.1896616
7800 19879.224 81.449925 0 3762.7877 -5.5050054
7850 19447.49 161.05987 0 3762.4468 6.5551059
7900 19347.279 179.92264 0 3762.752 -0.22128912
7950 16111.259 779.90909 0 3763.4756 16.245065
8000 18793.831 282.55644 0 3762.8956 2.7542217
8050 17743.028 476.45151 0 3762.1974 27.194554
8100 19009.972 242.36714 0 3762.7324 1.2892353
8150 16678.474 674.54525 0 3763.1516 -10.118094
8200 17031.072 609.20451 0 3763.1067 -5.3547397
8250 19069.215 231.72951 0 3763.0656 11.653116
8300 18974.009 249.2464 0 3762.9518 8.5281104
8350 18258.716 381.94584 0 3763.1896 -2.3827747
8400 19159.557 215.19237 0 3763.2586 -10.596898
8450 18872.368 268.50254 0 3763.3856 -18.567827
8500 19220.617 203.86825 0 3763.2417 6.0196396
8550 19324.087 184.72918 0 3763.2639 -7.5202105
8600 19692.651 116.4876 0 3763.2748 -5.0995987
8650 19006.487 243.54291 0 3763.2627 -4.3110571
8700 18569.611 324.39458 0 3763.2114 9.70503
8750 18603.877 317.36329 0 3762.5258 11.849356
8800 19389.768 172.48258 0 3763.1803 10.449119
8850 19102.996 225.58959 0 3763.1815 0.71895877
8900 19585.652 135.95989 0 3762.9325 1.0242045
8950 19161.635 214.28295 0 3762.7338 2.1946644
9000 19724.587 110.24248 0 3762.9438 -1.4725699
9050 18898.222 263.31908 0 3762.9899 5.2519867
9100 18757.963 288.77375 0 3762.4706 6.6961009
9150 19828.253 91.178602 0 3763.0773 2.1940149
9200 19173.574 212.43267 0 3763.0944 -2.1554184
9250 19537.506 144.98302 0 3763.0396 0.49527878
9300 17573.062 508.41377 0 3762.6845 13.408224
9350 20041.904 51.66773 0 3763.1314 -1.4383526
9400 19788.001 98.546699 0 3762.9914 0.94893555
9450 19221.146 203.77535 0 3763.2469 -3.6082923
9500 19864.374 84.617003 0 3763.2048 -3.1142322
9550 18497.395 337.75311 0 3763.1966 5.8593905
9600 19968.433 65.464516 0 3763.3224 0.22354534
9650 19879.617 82.015812 0 3763.4264 -1.7947438
9700 19525.5 147.67058 0 3763.5039 0.9870726
9750 19387.903 173.04252 0 3763.3949 6.3543366
9800 18996.326 245.74232 0 3763.5804 10.384497
9850 19064.592 233.24533 0 3763.7253 -0.7632773
9900 19205.165 207.15936 0 3763.6714 7.5682042
9950 18962.217 252.13659 0 3763.6582 -1.4248706
10000 19978.362 63.931872 0 3763.6285 5.7744071
Loop time of 12.4183 on 4 procs for 10000 steps with 81 atoms
Pair time (%) = 0.0675793 (0.54419)
Neigh time (%) = 0.034472 (0.27759)
Comm time (%) = 3.23596 (26.0579)
Outpt time (%) = 0.162251 (1.30655)
Other time (%) = 8.91806 (71.8137)
Nlocal: 20.25 ave 39 max 0 min
Histogram: 1 1 0 0 0 0 0 0 0 2
Nghost: 16.75 ave 39 max 1 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Neighs: 207.75 ave 533 max 0 min
Histogram: 2 0 0 0 0 1 0 0 0 1
Total # of neighbors = 831
Ave neighs/atom = 10.2593
Neighbor list builds = 995
Dangerous builds = 965

307
examples/rigid/log.rigid.poems2.5Oct07.linux.1
View File

@ -1,307 +0,0 @@
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
#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 = 1.85865 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 0.31444672
1400 18549.582 329.31436 0 3764.4221 10.738303
1450 15163.926 957.47584 0 3765.6103 -17.923459
1500 19223.688 204.15171 0 3764.0939 -1.6134537
1550 18147.996 404.12676 0 3764.8668 8.4194772
1600 18615.043 317.42465 0 3764.6548 -2.3288964
1650 20120.654 38.887931 0 3764.935 -8.7620234
1700 19450.906 162.98288 0 3765.0025 2.3254699
1750 19374.633 177.3795 0 3765.2744 8.9328779
1800 19424.403 167.93973 0 3765.0514 0.081235304
1850 17936.331 442.82718 0 3764.3699 6.6008391
1900 19982.596 64.40603 0 3764.8868 -2.9530194
1950 16215.981 761.88879 0 3764.8481 13.994088
2000 18584.381 322.128 0 3763.68 7.1655135
2050 20107.966 41.025597 0 3764.723 -0.31094122
2100 20002.35 60.589881 0 3764.7288 -6.7919416
2150 16949.562 626.63321 0 3765.441 3.5096306
2200 20010.952 58.808561 0 3764.5403 -10.86228
2250 18982.725 247.00987 0 3762.3292 -0.53791914
2300 18401.372 354.86612 0 3762.5275 1.0918754
2350 19390.489 172.94794 0 3763.7793 -3.3526861
2400 16081.953 786.17478 0 3764.3143 -16.196885
2450 18870.833 268.6722 0 3763.2708 11.190569
2500 19687.509 117.72716 0 3763.5621 4.3895758
2550 18872.588 268.46009 0 3763.3837 -5.65615
2600 17016.358 612.26248 0 3763.4398 6.3212358
2650 18770.003 287.95779 0 3763.8843 2.3918934
2700 19736.664 108.26363 0 3763.2014 -0.29985725
2750 19503.072 151.75954 0 3763.4396 -1.6107925
2800 18406.518 353.53932 0 3762.1537 21.011956
2850 18588.513 320.69228 0 3763.0095 3.8268043
2900 20117.999 37.673729 0 3763.2291 0.38606556
2950 15648.583 864.90426 0 3762.79 14.652138
3000 18110.003 409.12743 0 3762.8316 7.3046692
3050 18963.762 251.51142 0 3763.3192 8.8730032
3100 19360.233 177.87686 0 3763.1052 -3.003396
3150 19397.486 171.24452 0 3763.3715 -8.1894286
3200 19861.488 85.443011 0 3763.4963 -7.9892285
3250 18129.623 406.06986 0 3763.4075 6.2227065
3300 18459.732 345.12915 0 3763.5981 -0.88501113
3350 18418.183 352.86898 0 3763.6435 5.1465871
3400 18198.833 393.57376 0 3763.7281 17.906799
3450 19394.691 171.91415 0 3763.5237 2.3061923
3500 17989.487 431.57409 0 3762.9605 4.7722999
3550 19839.778 89.464757 0 3763.4977 0.75587352
3600 16651.363 679.92046 0 3763.5062 2.5922559
3650 19640.809 126.36971 0 3763.5565 3.8009718
3700 18760.693 289.25283 0 3763.4552 -0.23256809
3750 18422.806 351.8633 0 3763.494 -5.7063428
3800 19064.379 232.62039 0 3763.0609 1.9143018
3850 20028.147 54.870459 0 3763.7866 -2.0674064
3900 18363.903 363.15053 0 3763.8733 -0.83767264
3950 19142.068 218.5822 0 3763.4096 1.2533787
4000 17657.429 493.09545 0 3762.9897 12.601663
4050 19999.996 59.856421 0 3763.5594 0.65351515
4100 19031.815 238.72419 0 3763.1343 -2.7080944
4150 18380.468 359.73956 0 3763.53 15.388701
4200 18317.648 371.13705 0 3763.294 -13.66239
4250 18825.075 277.55216 0 3763.6771 7.9673845
4300 18865.367 269.84013 0 3763.4266 -3.5057357
4350 18873.642 268.1837 0 3763.3026 -1.7780136
4400 18916.382 260.35702 0 3763.3908 6.8447807
4450 19712.893 112.94768 0 3763.4834 2.0240342
4500 14398.025 1098.0138 0 3764.3148 10.385478
4550 20022.067 55.986279 0 3763.7765 4.4810795
4600 19180.928 211.60561 0 3763.6293 0.30988185
4650 19971.505 65.490271 0 3763.9172 -10.108697
4700 19829.97 91.602773 0 3763.8194 -0.40679921
4750 19246.766 199.64331 0 3763.8593 -1.2506428
4800 19631.666 128.40837 0 3763.902 -2.040334
4850 19947.67 70.094361 0 3764.1073 -0.78294536
4900 19465.259 159.54674 0 3764.2242 -4.9676397
4950 17477.587 527.80906 0 3764.3993 14.21063
5000 20084.743 44.912413 0 3764.3094 -2.1726035
5050 17272.98 565.5041 0 3764.2042 -9.5226681
5100 19781.281 100.98301 0 3764.1832 1.8979179
5150 17633.952 498.58541 0 3764.1321 13.595063
5200 19610.188 132.81351 0 3764.3297 -2.8574796
5250 19519.474 149.381 0 3764.0985 0.34060773
5300 18714.208 298.54457 0 3764.1386 4.0211125
5350 19134.687 220.83624 0 3764.2968 6.6237377
5400 18379.28 360.44805 0 3764.0185 4.259352
5450 15537.658 886.81447 0 3764.1586 20.286717
5500 19533.983 146.53005 0 3763.9344 -6.5895297
5550 18959.278 253.13334 0 3764.1108 5.7507497
5600 19132.581 221.01922 0 3764.0898 2.7244388
5650 17943.188 441.39829 0 3764.2109 8.0028833
5700 17548.004 514.31011 0 3763.9406 2.2500386
5750 18131.629 406.4959 0 3764.205 5.2965619
5800 18853.962 271.8568 0 3763.3312 -1.7826489
5850 19833.936 91.028067 0 3763.9792 -1.9914832
5900 19690.909 117.60196 0 3764.0665 5.6772373
5950 18757.783 290.52181 0 3764.1853 5.8206362
6000 17998.199 431.27274 0 3764.2725 0.083704718
6050 18502.246 337.39216 0 3763.734 3.3273079
6100 20089.48 44.192378 0 3764.4664 0.68769167
6150 20017.292 57.474329 0 3764.3803 -3.3015592
6200 18928.553 259.01047 0 3764.2981 0.23705671
6250 20092.994 43.38052 0 3764.3053 -1.5299825
6300 19166.273 214.9146 0 3764.2243 -10.477528
6350 20184.081 26.406542 0 3764.1993 0.70992951
6400 19936.269 72.125456 0 3764.027 4.547003
6450 19426.521 166.55133 0 3764.0552 11.632463
6500 16977.51 621.49704 0 3765.4804 11.786242
6550 20135.186 35.324124 0 3764.0623 -0.16522965
6600 19606.614 132.91803 0 3763.7725 -0.61848508
6650 18309.085 373.80514 0 3764.3765 -1.7012386
6700 19975.746 64.76507 0 3763.9772 -1.5629614
6750 19007.784 244.00603 0 3763.9661 6.9564316
6800 19789.033 99.121949 0 3763.7576 -2.2131506
6850 18882.807 266.99644 0 3763.8126 2.4030624
6900 19391.989 172.92061 0 3764.0297 -1.5324267
6950 18629.076 314.26692 0 3764.0959 -4.1954944
7000 19808.66 95.779871 0 3764.0503 -1.3370578
7050 18887.077 266.02979 0 3763.6367 2.774529
7100 18580.757 322.65858 0 3763.5395 -2.1890265
7150 16163.557 770.98499 0 3764.2363 20.131822
7200 19186.484 210.55048 0 3763.6031 -0.89301479
7250 20029.759 54.832558 0 3764.0472 2.3684305
7300 19261.729 197.02825 0 3764.0151 2.8701583
7350 19164.529 214.95337 0 3763.9402 8.0231456
7400 19800.742 97.184346 0 3763.9885 3.993226
7450 19816.878 94.252523 0 3764.0447 1.4394826
7500 19614.542 131.7474 0 3764.0701 6.1725294
7550 19639.188 127.26814 0 3764.1547 9.0025265
7600 17857.045 457.8061 0 3764.6663 7.9940245
7650 19476.582 157.57506 0 3764.3496 -5.4364947
7700 19178.69 212.93777 0 3764.5471 -5.9629802
7750 19881.136 82.821376 0 3764.5132 -8.3396437
7800 18361.619 364.22947 0 3764.5293 -4.5390987
7850 19681.473 119.75558 0 3764.4729 -0.74705901
7900 19146.391 218.84806 0 3764.4761 -1.5368503
7950 19015.66 242.97309 0 3764.3916 3.3627424
8000 18953.108 254.65237 0 3764.4871 -0.80075758
8050 18394.217 356.97127 0 3763.3078 12.192418
8100 20003.88 60.047797 0 3764.4699 1.7147703
8150 18837.189 276.08871 0 3764.4571 -4.7061952
8200 18490.393 339.89616 0 3764.0431 8.0876507
8250 18934.911 258.01382 0 3764.4789 -2.2722023
8300 18992.532 247.22587 0 3764.3614 -5.5757488
8350 18734.381 294.85715 0 3764.187 -1.6784471
8400 19096.231 227.81027 0 3764.1493 5.0013345
8450 18122.103 408.1265 0 3764.0716 0.29367221
8500 18456.948 345.89622 0 3763.8496 -1.2953924
8550 16179.751 768.08513 0 3764.3354 -15.783038
8600 19701.886 115.3429 0 3763.8404 -6.1300317
8650 19780.208 100.82835 0 3763.8298 0.93136385
8700 18515.649 335.16403 0 3763.988 10.678559
8750 17012.98 613.44187 0 3763.9937 12.4263
8800 17036.007 609.07499 0 3763.891 5.3177704
8850 19101.348 226.51778 0 3763.8045 -2.726039
8900 17986.965 431.79479 0 3762.7143 -4.4254578
8950 19880.063 82.363637 0 3763.8567 1.5026042
9000 19828.576 92.071674 0 3764.0302 -1.7569687
9050 19721.773 111.92169 0 3764.1018 -3.0171895
9100 17390.413 543.64757 0 3764.0944 5.3417629
9150 19364.081 177.94004 0 3763.881 6.3844136
9200 16827.754 644.56015 0 3760.8109 5.0809124
9250 17426.564 536.70058 0 3763.842 18.414202
9300 19937.674 71.616041 0 3763.7778 -0.94895536
9350 18256.386 383.04188 0 3763.854 6.0361903
9400 19219.405 204.62722 0 3763.7762 1.1760521
9450 19410.161 169.19165 0 3763.6659 -2.8855494
9500 18347.623 365.56603 0 3763.274 5.0517322
9550 15380.886 915.82705 0 3764.1393 -4.7478422
9600 18171.855 398.91387 0 3764.0721 4.9262284
9650 19654.551 124.46991 0 3764.2016 -5.107423
9700 18617.556 316.25119 0 3763.9468 2.1271053
9750 19582.424 137.92448 0 3764.2992 2.0390597
9800 19779.785 101.3667 0 3764.2899 0.35055578
9850 19505.552 152.25257 0 3764.3919 -6.1300408
9900 19673.685 121.19565 0 3764.4706 -3.5337791
9950 19555.722 142.8602 0 3764.2902 -8.3414781
10000 19032.018 239.75987 0 3764.2076 -1.413483
Loop time of 7.50411 on 1 procs for 10000 steps with 81 atoms
Pair time (%) = 0.207226 (2.7615)
Neigh time (%) = 0.092211 (1.22881)
Comm time (%) = 0.0210001 (0.279849)
Outpt time (%) = 0.0277221 (0.369426)
Other time (%) = 7.15595 (95.3604)
Nlocal: 81 ave 81 max 81 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 69 ave 69 max 69 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 617 ave 617 max 617 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 617
Ave neighs/atom = 7.61728
Neighbor list builds = 994
Dangerous builds = 957

307
examples/rigid/log.rigid.poems2.5Oct07.linux.4
View File

@ -1,307 +0,0 @@
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
#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 = 1.66757 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 15163.926 957.47584 0 3765.6103 -17.923459
1500 19223.688 204.15173 0 3764.0939 -1.6134533
1550 18147.996 404.12676 0 3764.8668 8.4194777
1600 18615.043 317.42467 0 3764.6548 -2.3288946
1650 20120.654 38.887921 0 3764.935 -8.762026
1700 19450.907 162.98278 0 3765.0025 2.3254718
1750 19374.632 177.37959 0 3765.2744 8.9328776
1800 19424.403 167.93969 0 3765.0514 0.081232329
1850 17936.282 442.8362 0 3764.3699 6.6009729
1900 19982.596 64.40613 0 3764.8868 -2.9529967
1950 16215.904 761.90316 0 3764.8484 13.994458
2000 18584.405 322.1235 0 3763.68 7.165446
2050 20107.966 41.025691 0 3764.723 -0.3109207
2100 20002.34 60.591745 0 3764.7288 -6.7919639
2150 16949.68 626.61132 0 3765.441 3.5092215
2200 20010.952 58.808395 0 3764.5403 -10.862215
2250 18982.727 247.0094 0 3762.3292 -0.53801024
2300 18401.329 354.87401 0 3762.5275 1.0919825
2350 19390.509 172.94434 0 3763.7793 -3.3525766
2400 16081.279 786.29986 0 3764.3144 -16.198999
2450 18870.586 268.71771 0 3763.2706 11.19479
2500 19687.968 117.64184 0 3763.5619 4.3854981
2550 18871.552 268.652 0 3763.3839 -5.6598123
2600 17018.095 611.94054 0 3763.4396 6.3151274
2650 18759.886 289.83493 0 3763.8878 2.4039285
2700 19740.164 107.62639 0 3763.2122 -0.31805782
2750 19516.266 149.31294 0 3763.4362 -1.6224242
2800 18358.662 362.49198 0 3762.2443 21.770839
2850 18467.52 343.09706 0 3763.0082 4.342304
2900 20135.574 34.417701 0 3763.2277 0.8588441
2950 15515.162 889.21195 0 3762.3902 14.080583
3000 17723.38 481.44112 0 3763.5486 14.722181
3050 18381.135 359.45826 0 3763.3721 9.9835574
3100 18332.511 367.78445 0 3762.694 -7.3886742
3150 18614.425 316.1034 0 3763.2192 -7.74568
3200 19729.936 109.5559 0 3763.2478 -7.7288763
3250 19571.827 138.77853 0 3763.1909 5.3260642
3300 19186.831 210.15319 0 3763.2701 7.0964241
3350 19051.087 235.32511 0 3763.3042 7.0039984
3400 17984.107 432.92585 0 3763.316 19.525709
3450 19816.121 93.469153 0 3763.1212 0.93406105
3500 16116.964 778.79932 0 3763.4223 -16.392874
3550 18360.791 362.73696 0 3762.8834 -1.6393592
3600 17932.917 442.36364 0 3763.2742 -4.5282005
3650 19361.767 177.4835 0 3762.996 2.9535353
3700 16171.192 768.93741 0 3763.6026 13.746643
3750 20139.436 33.882035 0 3763.4072 -3.2396345
3800 18828.356 276.44957 0 3763.1821 2.0167175
3850 19014.023 242.34928 0 3763.4646 2.3037896
3900 19034.919 238.55055 0 3763.5356 4.6417259
3950 19853.566 86.934921 0 3763.5211 4.020036
4000 17410.693 538.34577 0 3762.5482 17.937275
4050 18207.896 391.06826 0 3762.9008 -13.757726
4100 18748.708 290.98835 0 3762.9713 6.8943352
4150 19092.604 227.91853 0 3763.5859 -12.012562
4200 19018.091 241.36001 0 3763.2286 -9.5160387
4250 18553.516 326.97602 0 3762.8124 5.1024293
4300 19542.465 144.55553 0 3763.5304 -0.97016723
4350 19572.434 138.77149 0 3763.2962 9.1238295
4400 18083.797 413.92688 0 3762.7782 17.661884
4450 17781.707 470.15252 0 3763.0613 -1.3908584
4500 19262.581 196.41226 0 3763.5569 5.074293
4550 18806.096 280.69738 0 3763.3077 5.9144884
4600 19517.266 149.26286 0 3763.5713 -4.2465886
4650 19293.839 190.60331 0 3763.5364 3.9562273
4700 20020.726 55.972466 0 3763.5143 -2.3803598
4750 16849.887 643.26477 0 3763.6142 -2.8239991
4800 19467.28 158.31839 0 3763.3703 1.9307755
4850 16085.83 784.93021 0 3763.7876 16.475843
4900 18548.452 328.61463 0 3763.5132 3.695187
4950 19562.121 140.7768 0 3763.3918 1.6766545
5000 19780.594 100.31445 0 3763.3874 -0.92620318
5050 19194.995 208.38129 0 3763.0101 0.26783276
5100 19733.961 109.06337 0 3763.5006 0.27826035
5150 18843.5 273.87259 0 3763.4096 -3.5972982
5200 18267.619 380.45635 0 3763.3487 -5.2213257
5250 19901.908 77.638143 0 3763.1766 1.3122552
5300 20082.057 44.306706 0 3763.2061 -2.4604467
5350 20193.276 23.761629 0 3763.2572 -8.4318408
5400 18586.333 321.21055 0 3763.1241 5.4145024
5450 19648.659 124.63315 0 3763.2737 6.4549249
5500 18019.685 426.28948 0 3763.2682 12.7881
5550 19413.24 168.33551 0 3763.3799 7.3958351
5600 19829.59 91.368789 0 3763.5152 0.83457152
5650 19599.629 133.95295 0 3763.5139 -9.1316761
5700 18892.535 264.75128 0 3763.369 -8.4630056
5750 17332.055 553.8539 0 3763.4937 5.5764294
5800 18937.996 256.27604 0 3763.3124 -1.7680836
5850 18935.096 256.66743 0 3763.1666 2.7990463
5900 19246.314 198.58541 0 3762.7177 -10.18878
5950 19064.902 232.27842 0 3762.8159 5.896414
6000 18910.575 261.01328 0 3762.9717 11.211577
6050 18241.651 385.42117 0 3763.5047 6.2473395
6100 18371.637 361.13935 0 3763.2943 -8.1327668
6150 19597.492 134.3395 0 3763.5046 -2.844692
6200 18966.681 251.14795 0 3763.4964 4.0508771
6250 19725.66 110.57417 0 3763.4742 2.8923514
6300 19777.698 100.81204 0 3763.3488 1.6114823
6350 19512.324 149.87637 0 3763.2697 4.204974
6400 19608.358 132.09749 0 3763.2749 -1.7418241
6450 17294.29 560.94783 0 3763.594 6.4084803
6500 19897.266 78.81475 0 3763.4937 2.7043995
6550 17650.208 494.91299 0 3763.47 9.0439806
6600 19516.97 148.97877 0 3763.2325 0.47517513
6650 19161.653 214.9208 0 3763.3751 4.8336255
6700 18546.409 328.71595 0 3763.2361 -1.1258231
6750 19722.205 111.08053 0 3763.3407 -2.6690388
6800 18160.917 400.39781 0 3763.5306 -2.1321021
6850 18985.132 247.45871 0 3763.2239 -3.0257594
6900 18197.845 393.27161 0 3763.2429 -6.2849136
6950 19292.948 190.70428 0 3763.4724 -0.2746822
7000 18162.705 400.08758 0 3763.5514 8.1392322
7050 19144.658 217.17351 0 3762.4805 6.3830626
7100 19859.481 86.004196 0 3763.6858 4.4029967
7150 19951.114 68.976177 0 3763.6269 -2.4961326
7200 18690.673 302.37196 0 3763.6077 -4.5634051
7250 20072.267 46.64976 0 3763.7362 -2.9234817
7300 19802.31 96.566103 0 3763.6606 -9.673373
7350 18934.789 257.39289 0 3763.8353 10.242735
7400 18132.763 406.2528 0 3764.1719 21.985476
7450 18809.496 279.90667 0 3763.1467 6.5415215
7500 18603.778 318.26876 0 3763.4129 2.2139465
7550 18825.588 277.13979 0 3763.3597 -8.5836021
7600 19863.494 85.234785 0 3763.6596 -4.9490306
7650 19733.526 109.19856 0 3763.5553 -2.8842968
7700 18842.988 274.07168 0 3763.514 6.5090605
7750 17967.229 435.79419 0 3763.0589 1.5454881
7800 19986.174 62.478642 0 3763.622 -4.3975451
7850 19183.467 210.70932 0 3763.2032 7.2232158
7900 19165.788 214.39645 0 3763.6164 -1.9936671
7950 17850.792 456.65446 0 3762.3568 4.9920751
8000 17416.367 538.20465 0 3763.4578 8.3712154
8050 17539.364 515.49314 0 3763.5234 5.7983722
8100 19599.458 134.08169 0 3763.611 0.050190112
8150 18451.124 346.51477 0 3763.3896 -0.31971187
8200 19520.289 148.79661 0 3763.665 -0.37655235
8250 18009.726 428.65646 0 3763.791 12.334752
8300 19254.468 198.35776 0 3763.9999 3.2780544
8350 18543.206 330.18375 0 3764.1108 -0.14397952
8400 19089.565 229.03143 0 3764.136 2.2146135
8450 19826.77 92.517057 0 3764.1412 -1.5295739
8500 19290.72 191.90153 0 3764.257 1.2067524
8550 19990.535 62.347576 0 3764.2985 -5.2756748
8600 18996.842 246.29087 0 3764.2245 -4.2702662
8650 19568.365 140.45016 0 3764.2214 -1.4459497
8700 17391.521 543.55339 0 3764.2054 7.3055993
8750 17441.338 534.55054 0 3764.4279 12.058068
8800 17407.234 539.71642 0 3763.2783 11.370921
8850 18475.444 342.68821 0 3764.0668 7.3418663
8900 19342.369 182.1774 0 3764.0975 -1.9970867
8950 19702.979 115.34039 0 3764.0403 -6.6636478
9000 18338.553 367.40177 0 3763.43 8.660833
9050 19679.575 119.49987 0 3763.8655 6.3155352
9100 19713.615 113.2394 0 3763.9089 -5.0522536
9150 19607.616 132.85782 0 3763.8978 -12.125813
9200 18353.903 365.0693 0 3763.9402 5.1311422
9250 19350.537 180.214 0 3763.6467 5.2774343
9300 19829.13 91.74226 0 3763.8033 -8.7056377
9350 19654.14 124.18492 0 3763.8404 2.0534892
9400 19563.326 140.83247 0 3763.6707 -1.7296208
9450 19015.606 242.32448 0 3763.733 5.2722326
9500 15616.381 871.90619 0 3763.8286 1.4607769
9550 19642.243 126.36686 0 3763.8192 1.0069869
9600 19243.455 200.00678 0 3763.6096 -6.9217991
9650 18799.751 282.4098 0 3763.8452 6.3838404
9700 18467.275 344.23145 0 3764.0971 15.574307
9750 20096.449 42.195403 0 3763.76 -3.1646504
9800 18150.948 403.04589 0 3764.3326 7.115992
9850 17178.232 582.7442 0 3763.8982 0.12709213
9900 18993.157 246.62084 0 3763.8722 -0.99468489
9950 17654.373 494.73751 0 3764.0658 -7.2917465
10000 17814.181 464.92441 0 3763.8468 6.3263397
Loop time of 12.2379 on 4 procs for 10000 steps with 81 atoms
Pair time (%) = 0.0627404 (0.512674)
Neigh time (%) = 0.0298207 (0.243675)
Comm time (%) = 3.19585 (26.1144)
Outpt time (%) = 0.162907 (1.33117)
Other time (%) = 8.78656 (71.7981)
Nlocal: 20.25 ave 43 max 0 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Nghost: 17.25 ave 41 max 2 min
Histogram: 2 0 0 0 0 1 0 0 0 1
Neighs: 181.25 ave 467 max 0 min
Histogram: 2 0 0 0 0 1 0 0 0 1
Total # of neighbors = 725
Ave neighs/atom = 8.95062
Neighbor list builds = 993
Dangerous builds = 953