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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5850 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-03-26 22:41:19 +00:00
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306
examples/rigid/log.rigid.10Sep10.linux.1
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@ -1,306 +0,0 @@
LAMMPS (10 Sep 2010)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
orthogonal box = (-12 -12 -12) to (12 12 12)
1 by 1 by 1 processor grid
81 atoms
velocity all create 100.0 4928459
# unconnected bodies
group clump1 id <> 1 9
9 atoms in group clump1
group clump2 id <> 10 18
9 atoms in group clump2
group clump3 id <> 19 27
9 atoms in group clump3
group clump4 id <> 28 36
9 atoms in group clump4
group clump5 id <> 37 45
9 atoms in group clump5
group clump6 id <> 46 54
9 atoms in group clump6
group clump7 id <> 55 63
9 atoms in group clump7
group clump8 id <> 64 72
9 atoms in group clump8
group clump9 id <> 73 81
9 atoms in group clump9
fix 1 all rigid group 9 clump1 clump2 clump3 clump4 clump5 clump6 clump7 clump8 clump9
9 rigid bodies with 81 atoms
# 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
#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 = 1.62637 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
100 16298.442 136.66184 0 5267.653 16.444229
150 16682.606 17.490511 0 5269.4219 14.900344
200 16733.929 1.372872 0 5269.4617 14.569267
250 16738.853 -0.15252816 0 5269.4864 14.496404
300 16738.588 -0.055171335 0 5269.5002 14.496025
350 16738.492 -0.017444677 0 5269.5077 14.496446
400 16738.464 -0.0060102023 0 5269.5104 14.496618
450 16738.455 -0.0012713351 0 5269.5124 14.496701
500 16738.455 -0.00081068621 0 5269.5128 14.496709
550 16738.455 -0.00083203497 0 5269.5129 14.496707
600 16738.455 -0.00058355356 0 5269.5131 14.496709
650 16738.455 -0.00047226704 0 5269.5131 14.496708
700 16738.455 0 0 5269.5136 14.496713
750 16738.455 0 0 5269.5136 14.49671
800 16738.455 0 0 5269.5137 14.496709
850 16738.455 0 0 5269.5137 14.49671
900 16738.456 0 0 5269.5138 14.496713
950 16738.462 -0.0035323872 0 5269.5122 14.496671
1000 16738.586 -0.051135144 0 5269.5036 14.496229
1050 16737.358 0.32995057 0 5269.4981 14.525763
1100 16737.892 0.16210246 0 5269.4984 14.531983
1150 16738.703 -0.089235095 0 5269.5025 14.509899
1200 16738.466 -0.0075446243 0 5269.5096 14.510615
1250 16738.456 0 0 5269.514 14.510704
1300 16738.457 0 0 5269.5141 14.510701
1350 16738.457 0 0 5269.5141 14.510699
1400 16738.457 -0.00044736511 0 5269.5138 14.510693
1450 16738.458 -0.0010971179 0 5269.5134 14.510687
1500 16738.458 -0.00057885428 0 5269.5139 14.510698
1550 16738.457 0 0 5269.5143 14.51071
1600 16738.457 0 0 5269.5144 14.510712
1650 16738.457 0 0 5269.5144 14.510712
1700 16738.458 0 0 5269.5144 14.51071
1750 16738.458 0 0 5269.5145 14.510708
1800 16738.458 0 0 5269.5145 14.510706
1850 16738.458 0 0 5269.5146 14.510705
1900 16738.458 0 0 5269.5146 14.510706
1950 16738.465 -0.0031733615 0 5269.5134 14.510659
2000 16738.491 -0.013255268 0 5269.5117 14.510532
2050 16738.556 -0.0365811 0 5269.5087 14.51029
2100 16738.633 -0.063209659 0 5269.5065 14.510219
2150 16738.607 -0.05601761 0 5269.5055 14.510231
2200 16738.557 -0.038423032 0 5269.5072 14.510404
2250 16738.515 -0.023709918 0 5269.5088 14.510539
2300 16738.489 -0.013249035 0 5269.5111 14.510621
2350 16738.468 -0.0045563719 0 5269.5131 14.510714
2400 16738.46 -0.00052194273 0 5269.5146 14.510771
2450 16738.464 -0.0023259756 0 5269.514 14.510746
2500 16738.468 -0.0051929186 0 5269.5127 14.510731
2550 16738.581 -0.044940117 0 5269.5085 14.510315
2600 16738.427 -7.9722862e-05 0 5269.5046 14.510657
2650 16733.017 1.705148 0 5269.5067 14.596295
2700 16738.761 -0.10614946 0 5269.5038 14.499584
2750 16733.973 1.4038179 0 5269.5064 14.598107
2800 16738.585 -0.046813448 0 5269.5076 14.511073
2850 16738.487 -0.012558719 0 5269.5111 14.510111
2900 16738.465 -0.0026252725 0 5269.514 14.510277
2950 16738.476 -0.0082220764 0 5269.512 14.510223
3000 16738.66 -0.071284779 0 5269.507 14.509758
3050 16715.332 7.2419351 0 5269.476 14.870305
3100 16653.226 26.818761 0 5269.5009 14.496764
3150 16739.351 -0.30690375 0 5269.4886 13.643904
3200 16733.238 1.6025328 0 5269.4737 12.016934
3250 16734.374 1.2554428 0 5269.4841 11.963561
3300 16732.156 1.9585967 0 5269.4893 12.234024
3350 16738.655 -0.079693236 0 5269.497 12.092757
3400 16738.543 -0.042215005 0 5269.4991 12.092809
3450 16738.591 -0.059327511 0 5269.4972 12.092536
3500 16738.759 -0.11761245 0 5269.4918 12.09203
3550 16713.405 7.846062 0 5269.4737 12.389816
3600 16734.939 1.0821936 0 5269.4891 12.173591
3650 16738.808 -0.13663195 0 5269.4882 12.027009
3700 16738.602 -0.070934367 0 5269.4889 12.025288
3750 16737.731 0.20706557 0 5269.4927 12.061948
3800 16738.578 -0.05582043 0 5269.4965 12.035665
3850 16738.471 -0.016307928 0 5269.5024 12.035302
3900 16738.449 -0.0058182199 0 5269.5059 12.035401
3950 16738.439 -0.0012027325 0 5269.5074 12.035461
4000 16738.436 -0.00020698452 0 5269.5075 12.035469
4050 16738.437 0 0 5269.5078 12.035454
4100 16738.437 0 0 5269.508 12.035435
4150 16738.438 0 0 5269.5081 12.035426
4200 16738.438 0 0 5269.5083 12.035432
4250 16738.439 0 0 5269.5085 12.035447
4300 16738.439 0 0 5269.5086 12.035463
4350 16738.44 0 0 5269.5087 12.035474
4400 16738.44 0 0 5269.5088 12.035478
4450 16738.44 0 0 5269.5089 12.035474
4500 16738.44 0 0 5269.509 12.035462
4550 16738.441 0 0 5269.5092 12.035449
4600 16738.441 0 0 5269.5093 12.035445
4650 16738.442 0 0 5269.5095 12.035451
4700 16738.442 0 0 5269.5096 12.03546
4750 16738.443 0 0 5269.5097 12.035465
4800 16738.443 0 0 5269.5098 12.035466
4850 16738.443 0 0 5269.51 12.035463
4900 16738.444 0 0 5269.5101 12.035456
4950 16738.444 0 0 5269.5102 12.035447
5000 16738.445 0 0 5269.5104 12.03544
5050 16738.445 0 0 5269.5105 12.035442
5100 16738.446 0 0 5269.5107 12.035455
5150 16738.446 0 0 5269.5108 12.03547
5200 16738.446 0 0 5269.5109 12.035479
5250 16738.447 0 0 5269.511 12.035479
5300 16738.447 0 0 5269.5111 12.03547
5350 16738.447 0 0 5269.5112 12.035454
5400 16738.448 0 0 5269.5113 12.035434
5450 16738.448 0 0 5269.5115 12.03542
5500 16738.449 0 0 5269.5117 12.035422
5550 16738.457 -0.0030919234 0 5269.5111 12.035383
5600 16738.51 -0.021618357 0 5269.5092 12.035106
5650 16738.622 -0.059214788 0 5269.507 12.035694
5700 16395.28 108.06942 0 5269.5463 24.369038
5750 16738.544 -0.033973429 0 5269.5077 12.011261
5800 16738.456 -0.0037013529 0 5269.5102 12.011675
5850 16738.451 0 0 5269.5123 12.011709
5900 16738.451 -0.00022115871 0 5269.5122 12.011687
5950 16738.452 -0.00024253349 0 5269.5124 12.011678
6000 16738.452 0 0 5269.5128 12.011688
6050 16738.453 0 0 5269.513 12.011702
6100 16738.453 0 0 5269.5131 12.011716
6150 16738.454 0 0 5269.5132 12.011725
6200 16738.454 0 0 5269.5133 12.011728
6250 16738.454 0 0 5269.5134 12.011723
6300 16738.455 0 0 5269.5135 12.011712
6350 16738.455 0 0 5269.5137 12.0117
6400 16738.456 0 0 5269.5138 12.011697
6450 16738.456 0 0 5269.514 12.011704
6500 16738.456 0 0 5269.5141 12.011714
6550 16738.457 0 0 5269.5142 12.011719
6600 16738.457 0 0 5269.5143 12.011718
6650 16738.458 0 0 5269.5144 12.011713
6700 16738.458 0 0 5269.5146 12.011705
6750 16738.459 0 0 5269.5147 12.011696
6800 16738.459 0 0 5269.5149 12.01169
6850 16738.46 0 0 5269.515 12.011695
6900 16738.46 0 0 5269.5152 12.01171
6950 16738.46 0 0 5269.5153 12.011726
7000 16738.461 0 0 5269.5154 12.011736
7050 16738.461 0 0 5269.5155 12.011737
7100 16738.461 0 0 5269.5155 12.011728
7150 16738.461 0 0 5269.5156 12.011712
7200 16738.462 0 0 5269.5158 12.011691
7250 16738.463 0 0 5269.516 12.011676
7300 16738.463 0 0 5269.5162 12.011677
7350 16738.464 0 0 5269.5164 12.011693
7400 16738.464 0 0 5269.5165 12.011713
7450 16738.465 0 0 5269.5166 12.011729
7500 16738.465 0 0 5269.5167 12.011736
7550 16738.465 0 0 5269.5168 12.011734
7600 16738.465 0 0 5269.5168 12.011722
7650 16738.466 0 0 5269.517 12.011704
7700 16738.466 0 0 5269.5171 12.011687
7750 16738.467 0 0 5269.5173 12.011681
7800 16738.467 0 0 5269.5175 12.011687
7850 16738.468 0 0 5269.5176 12.0117
7900 16738.468 0 0 5269.5178 12.011712
7950 16738.469 0 0 5269.5179 12.011721
8000 16738.469 0 0 5269.518 12.011724
8050 16738.469 0 0 5269.5181 12.01172
8100 16738.47 0 0 5269.5182 12.011709
8150 16738.47 0 0 5269.5183 12.0117
8200 16738.47 0 0 5269.5185 12.0117
8250 16738.471 0 0 5269.5186 12.011709
8300 16738.471 0 0 5269.5187 12.011719
8350 16738.472 0 0 5269.5189 12.011723
8400 16738.472 0 0 5269.519 12.01172
8450 16738.473 -0.00039690661 0 5269.5189 12.011706
8500 16738.481 -0.0034646802 0 5269.5182 12.011643
8550 16738.483 -0.0045307409 0 5269.5178 12.011621
8600 16738.474 -0.00076532814 0 5269.5189 12.011681
8650 16738.474 0 0 5269.5197 12.011699
8700 16738.475 0 0 5269.5199 12.011715
8750 16738.475 0 0 5269.52 12.011732
8800 16738.475 0 0 5269.52 12.011743
8850 16738.476 0 0 5269.5201 12.011744
8900 16738.476 0 0 5269.5202 12.011735
8950 16738.476 0 0 5269.5203 12.011719
9000 16738.477 0 0 5269.5205 12.011698
9050 16738.477 0 0 5269.5206 12.011683
9100 16738.478 0 0 5269.5208 12.011684
9150 16738.479 0 0 5269.521 12.011701
9200 16738.479 0 0 5269.5212 12.011722
9250 16738.479 0 0 5269.5213 12.011738
9300 16738.48 0 0 5269.5214 12.011746
9350 16738.48 0 0 5269.5214 12.011744
9400 16738.48 0 0 5269.5215 12.011732
9450 16738.48 0 0 5269.5216 12.011715
9500 16738.481 -0.0003765244 0 5269.5216 12.011692
9550 16738.493 -0.0053156161 0 5269.5203 12.011611
9600 16738.549 -0.026814371 0 5269.5163 12.011415
9650 16738.765 -0.10191524 0 5269.5092 12.011013
9700 16735.041 1.0589895 0 5269.4979 12.062708
9750 16738.013 0.13550073 0 5269.5101 11.407245
9800 16738.512 -0.011620328 0 5269.5201 11.394973
9850 16738.489 -0.00067270555 0 5269.5237 11.395098
9900 16738.489 -0.00024984581 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 0.237242 on 1 procs for 10000 steps with 81 atoms
Pair time (%) = 0.0151787 (6.39797)
Neigh time (%) = 0.04145 (17.4716)
Comm time (%) = 0.0162556 (6.85191)
Outpt time (%) = 0.0291288 (12.2781)
Other time (%) = 0.135229 (57.0004)
Nlocal: 81 ave 81 max 81 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 84 ave 84 max 84 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 0
Ave neighs/atom = 0
Neighbor list builds = 998
Dangerous builds = 997

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examples/rigid/log.rigid.10Sep10.linux.4
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@ -1,306 +0,0 @@
LAMMPS (10 Sep 2010)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
orthogonal box = (-12 -12 -12) to (12 12 12)
1 by 2 by 2 processor grid
81 atoms
velocity all create 100.0 4928459
# unconnected bodies
group clump1 id <> 1 9
9 atoms in group clump1
group clump2 id <> 10 18
9 atoms in group clump2
group clump3 id <> 19 27
9 atoms in group clump3
group clump4 id <> 28 36
9 atoms in group clump4
group clump5 id <> 37 45
9 atoms in group clump5
group clump6 id <> 46 54
9 atoms in group clump6
group clump7 id <> 55 63
9 atoms in group clump7
group clump8 id <> 64 72
9 atoms in group clump8
group clump9 id <> 73 81
9 atoms in group clump9
fix 1 all rigid group 9 clump1 clump2 clump3 clump4 clump5 clump6 clump7 clump8 clump9
9 rigid bodies with 81 atoms
# 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
#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 = 1.59069 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
100 16298.442 136.66184 0 5267.653 16.444229
150 16682.606 17.490511 0 5269.4219 14.900344
200 16733.929 1.372872 0 5269.4617 14.569267
250 16738.853 -0.15252816 0 5269.4864 14.496404
300 16738.588 -0.055171335 0 5269.5002 14.496025
350 16738.492 -0.017444677 0 5269.5077 14.496446
400 16738.464 -0.0060102023 0 5269.5104 14.496618
450 16738.455 -0.0012713351 0 5269.5124 14.496701
500 16738.455 -0.00081068621 0 5269.5128 14.496709
550 16738.455 -0.00083203497 0 5269.5129 14.496707
600 16738.455 -0.00058355356 0 5269.5131 14.496709
650 16738.455 -0.00047226704 0 5269.5131 14.496708
700 16738.455 0 0 5269.5136 14.496713
750 16738.455 0 0 5269.5136 14.49671
800 16738.455 0 0 5269.5137 14.496709
850 16738.455 0 0 5269.5137 14.49671
900 16738.456 0 0 5269.5138 14.496713
950 16738.462 -0.0035323872 0 5269.5122 14.496671
1000 16738.586 -0.051135144 0 5269.5036 14.496229
1050 16737.358 0.32995057 0 5269.4981 14.525763
1100 16737.892 0.16210246 0 5269.4984 14.531983
1150 16738.703 -0.089235095 0 5269.5025 14.509899
1200 16738.466 -0.0075446243 0 5269.5096 14.510615
1250 16738.456 0 0 5269.514 14.510704
1300 16738.457 0 0 5269.5141 14.510701
1350 16738.457 0 0 5269.5141 14.510699
1400 16738.457 -0.00044736511 0 5269.5138 14.510693
1450 16738.458 -0.0010971179 0 5269.5134 14.510687
1500 16738.458 -0.00057885428 0 5269.5139 14.510698
1550 16738.457 0 0 5269.5143 14.51071
1600 16738.457 0 0 5269.5144 14.510712
1650 16738.457 0 0 5269.5144 14.510712
1700 16738.458 0 0 5269.5144 14.51071
1750 16738.458 0 0 5269.5145 14.510708
1800 16738.458 0 0 5269.5145 14.510706
1850 16738.458 0 0 5269.5146 14.510705
1900 16738.458 0 0 5269.5146 14.510706
1950 16738.465 -0.0031733615 0 5269.5134 14.510659
2000 16738.491 -0.013255268 0 5269.5117 14.510532
2050 16738.556 -0.0365811 0 5269.5087 14.51029
2100 16738.633 -0.063209659 0 5269.5065 14.510219
2150 16738.607 -0.05601761 0 5269.5055 14.510231
2200 16738.557 -0.038423032 0 5269.5072 14.510404
2250 16738.515 -0.023709918 0 5269.5088 14.510539
2300 16738.489 -0.013249035 0 5269.5111 14.510621
2350 16738.468 -0.0045563719 0 5269.5131 14.510714
2400 16738.46 -0.00052194273 0 5269.5146 14.510771
2450 16738.464 -0.0023259756 0 5269.514 14.510746
2500 16738.468 -0.0051929186 0 5269.5127 14.510731
2550 16738.581 -0.044940117 0 5269.5085 14.510315
2600 16738.427 -7.9722858e-05 0 5269.5046 14.510657
2650 16733.017 1.705148 0 5269.5067 14.596295
2700 16738.761 -0.10614946 0 5269.5038 14.499584
2750 16733.973 1.4038179 0 5269.5064 14.598107
2800 16738.585 -0.046813448 0 5269.5076 14.511073
2850 16738.487 -0.012558719 0 5269.5111 14.510111
2900 16738.465 -0.0026252725 0 5269.514 14.510277
2950 16738.476 -0.0082220764 0 5269.512 14.510223
3000 16738.66 -0.071284779 0 5269.507 14.509758
3050 16715.332 7.2419351 0 5269.476 14.870305
3100 16653.226 26.818761 0 5269.5009 14.496764
3150 16739.351 -0.30690375 0 5269.4886 13.643904
3200 16733.238 1.6025328 0 5269.4737 12.016934
3250 16734.374 1.2554428 0 5269.4841 11.963561
3300 16732.156 1.9585967 0 5269.4893 12.234024
3350 16738.655 -0.079693236 0 5269.497 12.092757
3400 16738.543 -0.042215005 0 5269.4991 12.092809
3450 16738.591 -0.059327511 0 5269.4972 12.092536
3500 16738.759 -0.11761245 0 5269.4918 12.09203
3550 16713.405 7.846062 0 5269.4737 12.389816
3600 16734.939 1.0821936 0 5269.4891 12.173591
3650 16738.808 -0.13663195 0 5269.4882 12.027009
3700 16738.602 -0.070934367 0 5269.4889 12.025288
3750 16737.731 0.20706557 0 5269.4927 12.061948
3800 16738.578 -0.05582043 0 5269.4965 12.035665
3850 16738.471 -0.016307928 0 5269.5024 12.035302
3900 16738.449 -0.0058182199 0 5269.5059 12.035401
3950 16738.439 -0.0012027325 0 5269.5074 12.035461
4000 16738.436 -0.00020698452 0 5269.5075 12.035469
4050 16738.437 0 0 5269.5078 12.035454
4100 16738.437 0 0 5269.508 12.035435
4150 16738.438 0 0 5269.5081 12.035426
4200 16738.438 0 0 5269.5083 12.035432
4250 16738.439 0 0 5269.5085 12.035447
4300 16738.439 0 0 5269.5086 12.035463
4350 16738.44 0 0 5269.5087 12.035474
4400 16738.44 0 0 5269.5088 12.035478
4450 16738.44 0 0 5269.5089 12.035474
4500 16738.44 0 0 5269.509 12.035462
4550 16738.441 0 0 5269.5092 12.035449
4600 16738.441 0 0 5269.5093 12.035445
4650 16738.442 0 0 5269.5095 12.035451
4700 16738.442 0 0 5269.5096 12.03546
4750 16738.443 0 0 5269.5097 12.035465
4800 16738.443 0 0 5269.5098 12.035466
4850 16738.443 0 0 5269.51 12.035463
4900 16738.444 0 0 5269.5101 12.035456
4950 16738.444 0 0 5269.5102 12.035447
5000 16738.445 0 0 5269.5104 12.03544
5050 16738.445 0 0 5269.5105 12.035442
5100 16738.446 0 0 5269.5107 12.035455
5150 16738.446 0 0 5269.5108 12.03547
5200 16738.446 0 0 5269.5109 12.035479
5250 16738.447 0 0 5269.511 12.035479
5300 16738.447 0 0 5269.5111 12.03547
5350 16738.447 0 0 5269.5112 12.035454
5400 16738.448 0 0 5269.5113 12.035434
5450 16738.448 0 0 5269.5115 12.03542
5500 16738.449 0 0 5269.5117 12.035422
5550 16738.457 -0.0030919234 0 5269.5111 12.035383
5600 16738.51 -0.021618357 0 5269.5092 12.035106
5650 16738.622 -0.059214788 0 5269.507 12.035694
5700 16395.28 108.06942 0 5269.5463 24.369038
5750 16738.544 -0.033973429 0 5269.5077 12.011261
5800 16738.456 -0.0037013529 0 5269.5102 12.011675
5850 16738.451 0 0 5269.5123 12.011709
5900 16738.451 -0.00022115871 0 5269.5122 12.011687
5950 16738.452 -0.00024253349 0 5269.5124 12.011678
6000 16738.452 0 0 5269.5128 12.011688
6050 16738.453 0 0 5269.513 12.011702
6100 16738.453 0 0 5269.5131 12.011716
6150 16738.454 0 0 5269.5132 12.011725
6200 16738.454 0 0 5269.5133 12.011728
6250 16738.454 0 0 5269.5134 12.011723
6300 16738.455 0 0 5269.5135 12.011712
6350 16738.455 0 0 5269.5137 12.0117
6400 16738.456 0 0 5269.5138 12.011697
6450 16738.456 0 0 5269.514 12.011704
6500 16738.456 0 0 5269.5141 12.011714
6550 16738.457 0 0 5269.5142 12.011719
6600 16738.457 0 0 5269.5143 12.011718
6650 16738.458 0 0 5269.5144 12.011713
6700 16738.458 0 0 5269.5146 12.011705
6750 16738.459 0 0 5269.5147 12.011696
6800 16738.459 0 0 5269.5149 12.01169
6850 16738.46 0 0 5269.515 12.011695
6900 16738.46 0 0 5269.5152 12.01171
6950 16738.46 0 0 5269.5153 12.011726
7000 16738.461 0 0 5269.5154 12.011736
7050 16738.461 0 0 5269.5155 12.011737
7100 16738.461 0 0 5269.5155 12.011728
7150 16738.461 0 0 5269.5156 12.011712
7200 16738.462 0 0 5269.5158 12.011691
7250 16738.463 0 0 5269.516 12.011676
7300 16738.463 0 0 5269.5162 12.011677
7350 16738.464 0 0 5269.5164 12.011693
7400 16738.464 0 0 5269.5165 12.011713
7450 16738.465 0 0 5269.5166 12.011729
7500 16738.465 0 0 5269.5167 12.011736
7550 16738.465 0 0 5269.5168 12.011734
7600 16738.465 0 0 5269.5168 12.011722
7650 16738.466 0 0 5269.517 12.011704
7700 16738.466 0 0 5269.5171 12.011687
7750 16738.467 0 0 5269.5173 12.011681
7800 16738.467 0 0 5269.5175 12.011687
7850 16738.468 0 0 5269.5176 12.0117
7900 16738.468 0 0 5269.5178 12.011712
7950 16738.469 0 0 5269.5179 12.011721
8000 16738.469 0 0 5269.518 12.011724
8050 16738.469 0 0 5269.5181 12.01172
8100 16738.47 0 0 5269.5182 12.011709
8150 16738.47 0 0 5269.5183 12.0117
8200 16738.47 0 0 5269.5185 12.0117
8250 16738.471 0 0 5269.5186 12.011709
8300 16738.471 0 0 5269.5187 12.011719
8350 16738.472 0 0 5269.5189 12.011723
8400 16738.472 0 0 5269.519 12.01172
8450 16738.473 -0.00039690661 0 5269.5189 12.011706
8500 16738.481 -0.0034646802 0 5269.5182 12.011643
8550 16738.483 -0.0045307409 0 5269.5178 12.011621
8600 16738.474 -0.00076532813 0 5269.5189 12.011681
8650 16738.474 0 0 5269.5197 12.011699
8700 16738.475 0 0 5269.5199 12.011715
8750 16738.475 0 0 5269.52 12.011732
8800 16738.475 0 0 5269.52 12.011743
8850 16738.476 0 0 5269.5201 12.011744
8900 16738.476 0 0 5269.5202 12.011735
8950 16738.476 0 0 5269.5203 12.011719
9000 16738.477 0 0 5269.5205 12.011698
9050 16738.477 0 0 5269.5206 12.011683
9100 16738.478 0 0 5269.5208 12.011684
9150 16738.479 0 0 5269.521 12.011701
9200 16738.479 0 0 5269.5212 12.011722
9250 16738.479 0 0 5269.5213 12.011738
9300 16738.48 0 0 5269.5214 12.011746
9350 16738.48 0 0 5269.5214 12.011744
9400 16738.48 0 0 5269.5215 12.011732
9450 16738.48 0 0 5269.5216 12.011715
9500 16738.481 -0.0003765244 0 5269.5216 12.011692
9550 16738.493 -0.0053156161 0 5269.5203 12.011611
9600 16738.549 -0.026814371 0 5269.5163 12.011415
9650 16738.765 -0.10191523 0 5269.5092 12.011013
9700 16735.041 1.0589894 0 5269.4979 12.062708
9750 16738.013 0.13550078 0 5269.5101 11.407245
9800 16738.512 -0.011620328 0 5269.5201 11.394973
9850 16738.489 -0.00067270552 0 5269.5237 11.395098
9900 16738.489 -0.00024984578 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 0.367899 on 4 procs for 10000 steps with 81 atoms
Pair time (%) = 0.00572926 (1.55729)
Neigh time (%) = 0.0134615 (3.65903)
Comm time (%) = 0.171846 (46.7102)
Outpt time (%) = 0.0356522 (9.69078)
Other time (%) = 0.141209 (38.3827)
Nlocal: 20.25 ave 38 max 3 min
Histogram: 1 0 1 0 0 0 1 0 0 1
Nghost: 27.25 ave 48 max 13 min
Histogram: 1 0 1 1 0 0 0 0 0 1
Neighs: 0 ave 0 max 0 min
Histogram: 4 0 0 0 0 0 0 0 0 0
Total # of neighbors = 0
Ave neighs/atom = 0
Neighbor list builds = 998
Dangerous builds = 997

306
examples/rigid/log.rigid.poems.10Sep10.linux.1
View File

@ -1,306 +0,0 @@
LAMMPS (10 Sep 2010)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
orthogonal box = (-12 -12 -12) to (12 12 12)
1 by 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 -3.2045742
850 17821.483 711.53827 0 3681.7854 7.4384279
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 11.787982
1050 20222.396 310.94072 0 3681.34 -8.3459539
1100 21321.687 127.61533 0 3681.2299 -1.2184716
1150 20849.582 206.01696 0 3680.9472 -0.86699128
1200 21815.003 45.317411 0 3681.1512 1.5988314
1250 18655.437 572.41453 0 3681.654 10.06408
1300 20780.781 217.3651 0 3680.8286 6.0538613
1350 20558.971 254.36486 0 3680.8601 -3.6773909
1400 21485.029 99.812878 0 3680.6511 -16.185476
1450 21771.107 52.15963 0 3680.6775 -2.4756665
1500 21520.949 93.503894 0 3680.3286 2.1023576
1550 21351.418 121.68135 0 3680.2511 5.515991
1600 20778.805 216.92184 0 3680.0559 15.089195
1650 21477.637 100.21861 0 3679.8247 -1.1045435
1700 18501.333 596.48019 0 3680.0357 -15.679753
1750 18563.639 587.34833 0 3681.2882 33.532275
1800 19110.179 494.82437 0 3679.8543 18.024066
1850 21364.184 119.23664 0 3679.9339 2.5290486
1900 20146.607 322.15196 0 3679.9197 5.7315448
1950 20692.671 231.25334 0 3680.0319 4.297781
2000 20943.905 189.11203 0 3679.7629 -22.644315
2050 19667.921 401.85257 0 3679.8394 3.6245116
2100 20280.245 299.79467 0 3679.8355 7.4805416
2150 19181.426 483.59356 0 3680.498 22.628517
2200 21300.763 130.60419 0 3680.7314 4.7084861
2250 20485.71 266.8445 0 3681.1294 -8.6528765
2300 18650.247 572.72596 0 3681.1005 -5.2588622
2350 21514.872 95.389358 0 3681.2014 -9.3766026
2400 21464.017 103.93919 0 3681.2753 -29.502923
2450 20104.665 331.50772 0 3682.2852 35.530505
2500 20768.699 220.94747 0 3682.3974 -12.382718
2550 20474.476 269.8309 0 3682.2435 -22.601282
2600 21462.922 105.12338 0 3682.2771 -10.137895
2650 20938.842 192.54497 0 3682.3519 4.976155
2700 18604.089 582.03799 0 3682.7195 21.990828
2750 21184.248 151.46203 0 3682.17 -8.6423554
2800 21525.385 94.582968 0 3682.1471 -6.4679832
2850 18614.698 579.55541 0 3682.005 16.879889
2900 20766.017 220.9412 0 3681.944 6.0675076
2950 20866.735 204.22266 0 3682.0118 5.5391341
3000 17825.523 711.72832 0 3682.6489 45.323056
3050 19727.886 394.01838 0 3681.9994 4.5396273
3100 20185.832 317.79283 0 3682.0982 10.108668
3150 21019.791 178.6322 0 3681.9308 10.003636
3200 21229.953 143.56002 0 3681.8855 -0.97434809
3250 20473.122 268.51787 0 3680.7049 12.55376
3300 18333.322 626.87453 0 3682.4283 15.355535
3350 21238.336 142.36604 0 3682.0886 2.0657689
3400 20490.484 267.03278 0 3682.1135 8.3788197
3450 21803.945 47.977663 0 3681.9685 -6.1929877
3500 21384.982 117.59875 0 3681.7624 -7.2450054
3550 20222.68 311.28304 0 3681.7296 -3.1364401
3600 20112.252 329.6107 0 3681.6527 -5.0793671
3650 20898.22 198.595 0 3681.6317 -3.775415
3700 20858.376 205.14765 0 3681.5437 -9.4089654
3750 20526.641 260.59348 0 3681.7004 5.4684308
3800 21837.985 42.007027 0 3681.6712 -1.7663833
3850 21335.494 125.67642 0 3681.5922 2.6761702
3900 21247.57 140.25459 0 3681.5162 2.1569887
3950 21245.295 140.54255 0 3681.4251 -7.2422669
4000 19821.285 377.16323 0 3680.7107 19.498099
4050 20562.418 254.40154 0 3681.4711 -0.79137705
4100 21660.173 71.484017 0 3681.5129 -2.3230116
4150 20877.277 201.73878 0 3681.285 -1.8378576
4200 20001.727 347.88922 0 3681.5103 8.3916263
4250 19702.902 397.65875 0 3681.4757 -1.9350489
4300 19454.252 439.11247 0 3681.4879 -1.9841374
4350 20692.117 232.81882 0 3681.505 -14.984472
4400 20922.502 194.60156 0 3681.6853 -11.095981
4450 20893.237 199.41826 0 3681.6244 2.1831997
4500 20993.824 182.65736 0 3681.628 3.7732572
4550 21455.967 105.74866 0 3681.7431 -7.4932348
4600 19614.5 412.18443 0 3681.2678 21.302681
4650 19008.999 510.90971 0 3679.0761 22.632779
4700 19224.389 477.66417 0 3681.7289 -6.8321263
4750 21613.384 79.409006 0 3681.6396 -19.859198
4800 19380.2 451.43705 0 3681.4704 -17.129364
4850 20993.765 182.59217 0 3681.553 1.4371711
4900 21655.482 72.513204 0 3681.7602 -2.5527408
4950 20839.282 208.00786 0 3681.2216 5.9621819
5000 17226.994 812.16817 0 3683.3338 28.814125
5050 21717.705 62.311486 0 3681.929 1.6956893
5100 20602.289 248.36863 0 3682.0835 4.1483126
5150 21797.82 49.19253 0 3682.1625 -3.4289865
5200 18298.414 632.25032 0 3681.986 -19.265493
5250 20248.158 308.20145 0 3682.8944 14.602762
5300 20972.698 186.36037 0 3681.8101 -8.6993727
5350 21102.468 164.56032 0 3681.6384 -7.0987424
5400 20129.504 326.77381 0 3681.6912 2.320202
5450 20566.266 253.87432 0 3681.5853 1.6926503
5500 19721.771 393.62796 0 3680.5898 12.133857
5550 21250.043 139.54862 0 3681.2225 6.9561993
5600 16967.617 852.54859 0 3680.4848 -25.517774
5650 19189.88 482.00564 0 3680.3189 -16.034814
5700 19890.322 365.71578 0 3680.7694 7.6081957
5750 21837.921 41.379798 0 3681.0334 -8.8104668
5800 19966.877 352.9918 0 3680.8046 -17.501443
5850 21340.404 124.32071 0 3681.0548 2.0852534
5900 19699.785 397.85488 0 3681.1524 -33.252713
5950 19951.875 355.96621 0 3681.2788 24.287127
6000 20299.079 297.91614 0 3681.0961 -7.690864
6050 20455.903 271.54434 0 3680.8615 -7.7191717
6100 18209.344 646.12398 0 3681.0147 4.2591925
6150 19003.116 513.93507 0 3681.1211 25.199363
6200 19092.196 499.31769 0 3681.3504 -7.2453763
6250 21493.607 99.104496 0 3681.3724 -9.6918574
6300 21398.382 114.90484 0 3681.3018 -9.5907179
6350 19536.848 425.1853 0 3681.3266 -0.075583281
6400 20187.06 316.55732 0 3681.0673 13.616466
6450 19039.844 508.39462 0 3681.7019 5.4465994
6500 21496.827 98.619361 0 3681.4239 -3.0009932
6550 20245.402 306.20084 0 3680.4345 -7.6269585
6600 19876.072 368.12715 0 3680.8058 -6.6413512
6650 19099.199 496.90345 0 3680.1033 -10.675835
6700 18634.236 575.67327 0 3681.3792 -4.23727
6750 20031.593 342.71234 0 3681.3112 3.3339764
6800 18030.421 677.12532 0 3682.1954 42.41686
6850 21231.916 143.11122 0 3681.7639 -1.8329912
6900 16242.679 974.55951 0 3681.6727 -11.846744
6950 20597.631 248.50119 0 3681.4397 -2.7964013
7000 21103.311 164.71254 0 3681.9311 -5.9226764
7050 21302.72 131.38471 0 3681.838 -4.768566
7100 20719.885 228.60537 0 3681.9196 -13.882147
7150 20630.971 243.69039 0 3682.1855 -9.4793803
7200 21221.373 145.54505 0 3682.4405 3.880351
7250 21463.605 105.36495 0 3682.6324 2.3885695
7300 20393.407 283.06008 0 3681.9612 -12.506527
7350 19276.396 470.18406 0 3682.9167 -15.721872
7400 19965.259 355.30365 0 3682.8468 -6.5093643
7450 21758.776 56.39313 0 3682.8558 -2.4087306
7500 18730.831 560.92042 0 3682.7256 12.265908
7550 16772.528 888.51267 0 3683.934 29.839598
7600 21291.135 133.67324 0 3682.1957 0.89792099
7650 21799.811 49.225918 0 3682.5278 -5.9719636
7700 19945.016 358.21938 0 3682.3888 8.7440045
7750 20384.65 284.74003 0 3682.1816 7.7373293
7800 19582.443 418.37792 0 3682.1185 -4.1644066
7850 14191.822 1319.5888 0 3684.8925 2.7800485
7900 18460.49 605.93446 0 3682.6828 7.5234716
7950 19597.324 416.77504 0 3682.9957 -6.2934294
8000 21379.527 119.57795 0 3682.8324 2.9945719
8050 20845.204 208.53073 0 3682.7315 11.803821
8100 20251.386 307.73452 0 3682.9655 15.843155
8150 21003.36 182.75246 0 3683.3125 -5.7997823
8200 21236.175 143.88659 0 3683.249 -14.554141
8250 21127.077 161.6893 0 3682.8688 -4.5927234
8300 20219.131 313.51628 0 3683.3715 14.242385
8350 20283.932 303.55207 0 3684.2074 -1.0993016
8400 14379.962 1293.7805 0 3690.4408 76.614411
8450 20300.189 301.17351 0 3684.5384 -2.4690083
8500 20579.084 254.12289 0 3683.9702 -20.149749
8550 21099.34 167.40895 0 3683.9655 -8.7010972
8600 20662.241 240.11903 0 3683.8258 -7.5491117
8650 17850.556 707.68966 0 3682.7823 5.191887
8700 21527.425 96.360941 0 3684.265 -4.4795025
8750 19108.88 499.55585 0 3684.3691 -25.029331
8800 20508.711 266.32471 0 3684.4432 -11.768125
8850 20772.896 222.58739 0 3684.7368 2.9908751
8900 20160.349 324.86092 0 3684.9191 1.3920937
8950 20625.281 247.14594 0 3684.6928 -10.340683
9000 19648.597 409.8598 0 3684.626 -6.9026217
9050 21138.794 161.58999 0 3684.7223 0.69075401
9100 19446.257 442.788 0 3683.8308 10.463021
9150 19856.946 374.97075 0 3684.4617 3.4489797
9200 21609.99 82.834331 0 3684.4994 -3.1512038
9250 21557.779 91.498069 0 3684.4612 -5.6782444
9300 19582.322 420.85016 0 3684.5705 4.8140283
9350 19640.93 410.65326 0 3684.1416 -8.6377626
9400 21499.59 101.02245 0 3684.2874 2.610297
9450 18667.988 572.86378 0 3684.1951 12.532751
9500 16798.714 883.82086 0 3683.6065 6.9797935
9550 21089.694 168.9538 0 3683.9028 -1.7183692
9600 18288.694 635.7684 0 3683.8841 29.450626
9650 20150.345 325.44073 0 3683.8316 -1.8201405
9700 21855.775 41.738359 0 3684.3675 -11.533088
9750 21588.199 86.347678 0 3684.3808 1.2334285
9800 20899.439 200.13257 0 3683.3724 2.7674597
9850 20833.4 212.12955 0 3684.3628 -17.341767
9900 18911.197 532.51433 0 3684.3806 4.5867368
9950 17823.874 713.96562 0 3684.6112 17.586616
10000 18547.184 593.7475 0 3684.9448 18.289264
Loop time of 7.38465 on 1 procs for 10000 steps with 81 atoms
Pair time (%) = 0.266678 (3.61124)
Neigh time (%) = 0.122278 (1.65584)
Comm time (%) = 0.0168116 (0.227656)
Outpt time (%) = 0.217295 (2.94252)
Other time (%) = 6.76159 (91.5627)
Nlocal: 81 ave 81 max 81 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 78 ave 78 max 78 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1117 ave 1117 max 1117 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1117
Ave neighs/atom = 13.7901
Neighbor list builds = 991
Dangerous builds = 927

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LAMMPS (10 Sep 2010)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
orthogonal box = (-12 -12 -12) to (12 12 12)
1 by 2 by 2 processor grid
81 atoms
velocity all create 100.0 4928459
# unconnected bodies
#group clump1 id <> 1 9
#group clump2 id <> 10 18
#group clump3 id <> 19 27
#group clump4 id <> 28 36
#group clump5 id <> 37 45
#group clump6 id <> 46 54
#group clump7 id <> 55 63
#group clump8 id <> 64 72
#group clump9 id <> 73 81
#fix 1 all rigid group 9 clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 1 chain of connected bodies
group clump1 id <> 1 9
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 = 1.66715 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
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 20780.781 217.36506 0 3680.8286 6.0538614
1350 20558.971 254.36483 0 3680.8601 -3.6773949
1400 21485.029 99.812918 0 3680.6511 -16.185473
1450 21771.107 52.159612 0 3680.6775 -2.4756672
1500 21520.948 93.503927 0 3680.3286 2.1023576
1550 21351.418 121.68136 0 3680.2511 5.5159944
1600 20778.805 216.92178 0 3680.0559 15.089189
1650 21477.638 100.21835 0 3679.8247 -1.104575
1700 18501.339 596.47914 0 3680.0357 -15.67968
1750 18563.643 587.34778 0 3681.2882 33.532208
1800 19110.185 494.82346 0 3679.8543 18.024046
1850 21364.19 119.23551 0 3679.9339 2.5291101
1900 20146.625 322.14891 0 3679.9197 5.7313338
1950 20692.673 231.25313 0 3680.0319 4.2977799
2000 20943.903 189.11247 0 3679.7629 -22.64511
2050 19668.052 401.8307 0 3679.8394 3.6251977
2100 20280.44 299.76202 0 3679.8353 7.4807951
2150 19181.861 483.52185 0 3680.4987 22.620622
2200 21300.172 130.70342 0 3680.7322 4.7102443
2250 20486.913 266.64442 0 3681.1299 -8.6458457
2300 18653.027 572.26391 0 3681.1018 -5.2635159
2350 21513.552 95.610092 0 3681.2021 -9.3625621
2400 21466.226 103.5721 0 3681.2765 -29.560111
2450 20100.224 332.25127 0 3682.2886 35.738713
2500 20764.495 221.65088 0 3682.4001 -12.466719
2550 20436.558 276.16697 0 3682.2599 -22.417896
2600 21466.421 104.54383 0 3682.2806 -10.079734
2650 20818.841 212.55486 0 3682.3617 5.1296424
2700 18566.09 588.30634 0 3682.6546 22.284023
2750 20785.598 217.95478 0 3682.2211 -8.0249122
2800 21039.895 175.54429 0 3682.1935 -7.0764191
2850 16833.765 876.81641 0 3682.4439 33.045984
2900 19316.915 462.65845 0 3682.1443 7.9387523
2950 20539.995 258.69676 0 3682.0292 2.0068501
3000 20618.521 245.74832 0 3682.1685 -0.17465964
3050 18676.2 569.7615 0 3682.4615 -6.5647966
3100 19275.207 469.35107 0 3681.8856 -2.0438241
3150 18546.545 590.9925 0 3682.0833 11.076497
3200 20537.777 259.07579 0 3682.0386 10.619919
3250 20457.361 272.79279 0 3682.353 -0.51808338
3300 19938.928 359.03731 0 3682.192 -4.3702356
3350 21653.021 73.366978 0 3682.2037 -0.64700807
3400 20502.085 264.91433 0 3681.9285 -9.0284947
3450 19964.063 354.66015 0 3682.0041 11.708182
3500 19749.771 389.98871 0 3681.6172 4.3404985
3550 20150.491 323.69184 0 3682.1071 -1.1274774
3600 21129.281 160.46162 0 3682.0085 -7.7325499
3650 21213.734 146.18403 0 3681.8063 -4.9238973
3700 21054.384 172.69517 0 3681.7591 2.9949051
3750 21130.694 159.46294 0 3681.2452 -4.5868816
3800 21388.933 117.05872 0 3681.881 -9.9552464
3850 21389.666 116.87246 0 3681.8167 -3.1666659
3900 19786.081 383.85693 0 3681.5371 -0.46202464
3950 20326.368 294.364 0 3682.092 10.249119
4000 21346.923 124.20853 0 3682.029 1.6690854
4050 21079.676 168.99963 0 3682.279 -9.4593928
4100 21363.847 121.88561 0 3682.5267 -3.4424161
4150 19183.8 484.96147 0 3682.2615 5.2890083
4200 20791.738 217.24966 0 3682.5393 1.6610313
4250 17934.932 693.16127 0 3682.3166 21.873883
4300 19100.574 498.18729 0 3681.6163 21.532237
4350 19413.018 446.7793 0 3682.2823 -4.2704314
4400 17789.211 718.33426 0 3683.2027 1.0379415
4450 20026.629 345.43781 0 3683.2093 4.4263168
4500 21214.613 147.74957 0 3683.5185 -10.125688
4550 17453.453 775.3037 0 3684.2125 19.510346
4600 21160.696 156.77399 0 3683.5566 -10.636755
4650 21050.559 175.09442 0 3683.5209 -19.428387
4700 21061.479 173.26537 0 3683.5119 -20.275579
4750 17355.204 790.87199 0 3683.4059 20.610078
4800 19915.606 364.53225 0 3683.7999 3.6606859
4850 19075.265 504.50956 0 3683.7203 8.2624176
4900 20398.346 284.20642 0 3683.9308 -17.640173
4950 21455.333 107.74714 0 3683.636 -1.4815448
5000 21803.806 49.676765 0 3683.6444 -1.9327346
5050 21270.151 138.50256 0 3683.5277 3.6741411
5100 21344.115 126.08528 0 3683.4379 3.8214176
5150 19851.636 374.97428 0 3683.5803 8.4959073
5200 21269.861 138.55429 0 3683.5311 -10.046801
5250 20122.191 329.4988 0 3683.1973 7.9973529
5300 20629.403 245.02266 0 3683.2566 11.224167
5350 17486.113 770.10951 0 3684.4617 19.232203
5400 20539.122 260.42053 0 3683.6075 5.724931
5450 21051.992 175.02291 0 3683.6882 -15.710252
5500 20572.816 254.78624 0 3683.5889 -16.748213
5550 21085.555 169.5693 0 3683.8284 -13.545513
5600 18645.009 576.79786 0 3684.2993 -7.359725
5650 17932.73 695.1821 0 3683.9704 18.841602
5700 19546.079 426.25178 0 3683.9315 -20.621489
5750 21575.582 88.089167 0 3684.0196 -5.2988961
5800 20032.517 345.33849 0 3684.0913 12.407223
5850 19069.621 505.21294 0 3683.483 10.367615
5900 20357.783 290.8963 0 3683.8602 11.460709
5950 18522.82 597.06926 0 3684.2059 1.862711
6000 19770.703 388.63596 0 3683.7531 -0.62125248
6050 20623.177 247.07831 0 3684.2744 9.4434999
6100 21371.961 122.34719 0 3684.3407 -4.5620096
6150 19718.833 397.95819 0 3684.4303 -4.6370712
6200 18974.167 522.06882 0 3684.43 -10.000411
6250 20513.505 265.51966 0 3684.4372 2.1426034
6300 18878.388 538.07714 0 3684.4752 -3.1510397
6350 19906.24 365.06588 0 3682.7725 17.634509
6400 19234.003 479.1683 0 3684.8354 -6.8421851
6450 19480.068 438.53752 0 3685.2155 -16.330551
6500 21488.068 103.90497 0 3685.2496 -1.1499613
6550 19704.115 401.37601 0 3685.3952 4.8407704
6600 16160.554 992.86664 0 3686.2924 39.944615
6650 18144.619 661.35803 0 3685.4612 -6.9898339
6700 20301.647 301.90959 0 3685.5174 -7.6049367
6750 18885.038 538.448 0 3685.9543 -3.076798
6800 19503.855 435.38872 0 3686.0313 -2.2485025
6850 19385.64 454.91989 0 3685.86 -0.0759232
6900 20856.736 209.45465 0 3685.5774 -8.1212742
6950 21716.629 66.118907 0 3685.5571 -9.1550128
7000 18468.583 608.57701 0 3686.6741 3.8034064
7050 17634.381 747.04592 0 3686.1094 -9.5418161
7100 17671.756 741.96232 0 3687.255 22.917025
7150 18939.806 529.7642 0 3686.3986 -1.7348736
7200 20103.862 334.46887 0 3685.1125 0.34212898
7250 20172.71 324.53739 0 3686.6557 0.28140655
7300 21392.036 120.70631 0 3686.0457 -15.765626
7350 16726.998 898.9567 0 3686.7896 0.43542251
7400 21373.039 124.30972 0 3686.4829 1.8080855
7450 18367.86 625.13687 0 3686.4468 15.850153
7500 21174.781 157.23552 0 3686.3656 -5.2377101
7550 21208.96 151.16226 0 3685.989 -3.5986807
7600 17765.788 724.95333 0 3685.918 3.3435356
7650 21479.236 106.00709 0 3685.8797 5.732363
7700 20405.328 285.33441 0 3686.2224 5.828716
7750 17449.335 778.04936 0 3686.2718 23.475442
7800 18030.088 680.18419 0 3685.1989 -4.4005429
7850 18570.223 591.01494 0 3686.0522 6.655923
7900 19743.667 395.73146 0 3686.3427 1.0995739
7950 17309.575 802.50065 0 3687.4298 -46.431929
8000 19672.052 405.90454 0 3684.5799 -5.457018
8050 19110.55 501.79127 0 3686.8829 5.6863626
8100 21119.314 165.69583 0 3685.5814 6.3942847
8150 20528.471 264.51363 0 3685.9254 1.8258403
8200 19553.161 427.00121 0 3685.8614 -2.1148285
8250 18892.698 537.91423 0 3686.6972 4.3847822
8300 21559.093 92.988331 0 3686.1706 -2.1441266
8350 20011.866 350.65095 0 3685.9619 1.2954833
8400 20784.827 222.10359 0 3686.2415 6.2853985
8450 21868.691 41.95956 0 3686.7413 -21.73077
8500 20400.247 288.08029 0 3688.1214 3.1558853
8550 21230.347 149.36743 0 3687.7586 -3.6975876
8600 20770.116 225.65263 0 3687.3387 3.7091985
8650 20453.778 280.33113 0 3689.2941 -7.6434625
8700 18802.607 553.564 0 3687.3318 20.945278
8750 21421.573 119.26157 0 3689.5238 -0.27999108
8800 17467.218 778.1177 0 3689.3207 6.9874055
8850 20064.486 345.29943 0 3689.3804 4.8733067
8900 20361.162 295.58384 0 3689.1108 -3.6494355
8950 19182.708 492.1496 0 3689.2676 -18.578745
9000 19614.169 420.49878 0 3689.5269 2.0109712
9050 20297.654 306.61685 0 3689.5592 -7.5845308
9100 17728.861 734.75303 0 3689.5631 6.992158
9150 19368.182 461.99664 0 3690.027 -1.3316402
9200 20124.551 335.66705 0 3689.7588 9.5476072
9250 20651.629 247.34676 0 3689.2849 1.8792858
9300 21089.973 174.47538 0 3689.4709 2.2075541
9350 21398.505 122.65289 0 3689.0704 1.065375
9400 19641.531 415.86361 0 3689.4521 8.7608941
9450 20178.988 326.61553 0 3689.7802 6.5896652
9500 21322.2 136.29143 0 3689.9915 -0.72654013
9550 20837.756 217.39769 0 3690.357 7.6997212
9600 20075.558 344.63892 0 3690.5652 10.473357
9650 21416.489 121.1964 0 3690.6112 -3.8331485
9700 21529.069 102.81269 0 3690.9908 -2.7482273
9750 21069.024 179.64368 0 3691.1476 -0.2994866
9800 20960.595 197.81453 0 3691.247 -7.1909854
9850 18883.265 543.68016 0 3690.891 -5.8186477
9900 20366.727 296.67851 0 3691.1331 -5.1227088
9950 21816.937 54.938291 0 3691.0944 -6.4660984
10000 21202.37 156.85546 0 3690.5838 -8.323298
Loop time of 7.28948 on 4 procs for 10000 steps with 81 atoms
Pair time (%) = 0.073433 (1.00738)
Neigh time (%) = 0.0341487 (0.468465)
Comm time (%) = 0.424286 (5.82053)
Outpt time (%) = 0.0348005 (0.477407)
Other time (%) = 6.72281 (92.2262)
Nlocal: 20.25 ave 81 max 0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Nghost: 33.25 ave 82 max 0 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Neighs: 219.5 ave 878 max 0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Total # of neighbors = 878
Ave neighs/atom = 10.8395
Neighbor list builds = 993
Dangerous builds = 949

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@ -1,307 +0,0 @@
LAMMPS (10 Sep 2010)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
orthogonal box = (-12 -12 -12) to (12 12 12)
1 by 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
#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 0.31444671
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 -1.6134534
1550 18147.996 404.12676 0 3764.8668 8.4194776
1600 18615.043 317.42467 0 3764.6548 -2.3288947
1650 20120.654 38.887921 0 3764.935 -8.7620259
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 0.081232232
1850 17936.282 442.83623 0 3764.3699 6.6009737
1900 19982.596 64.406129 0 3764.8868 -2.9529968
1950 16215.905 761.90308 0 3764.8484 13.994456
2000 18584.405 322.12356 0 3763.68 7.1654465
2050 20107.966 41.025689 0 3764.723 -0.3109207
2100 20002.34 60.591766 0 3764.7288 -6.7919629
2150 16949.684 626.61057 0 3765.441 3.50921
2200 20010.952 58.808396 0 3764.5403 -10.862217
2250 18982.73 247.00887 0 3762.3292 -0.53802912
2300 18401.323 354.87512 0 3762.5275 1.0919874
2350 19390.515 172.94324 0 3763.7793 -3.3525512
2400 16081.222 786.31039 0 3764.3145 -16.199245
2450 18870.568 268.72092 0 3763.2706 11.195038
2500 19687.994 117.63698 0 3763.5619 4.3852626
2550 18871.483 268.66493 0 3763.3839 -5.6600101
2600 17018.297 611.90306 0 3763.4396 6.3152058
2650 18760.708 289.68239 0 3763.8876 2.4039789
2700 19739.989 107.65803 0 3763.2116 -0.31853962
2750 19515.983 149.3655 0 3763.4365 -1.6236507
2800 18365.677 361.17811 0 3762.2293 21.660179
2850 18522.601 332.89006 0 3763.0013 4.1070628
2900 20135.438 34.442137 0 3763.227 0.80782132
2950 15514.998 889.19732 0 3762.345 14.418833
3000 17742.403 477.92539 0 3763.5556 14.066893
3050 18467.5 343.41864 0 3763.3261 10.062832
3100 18389.58 357.38785 0 3762.8657 -5.3776
3150 19716.388 112.3417 0 3763.5246 -12.562638
3200 18619.951 315.02364 0 3763.1628 -8.5642116
3250 19523.995 147.8843 0 3763.439 -1.2570893
3300 18728.25 295.00401 0 3763.1984 8.1059072
3350 19123.876 221.9981 0 3763.4567 7.6158971
3400 16612.528 686.94456 0 3763.3387 31.625267
3450 19815.656 93.638078 0 3763.204 4.417997
3500 17812.947 464.78603 0 3763.4799 7.963089
3550 19990.954 61.147914 0 3763.1764 -2.932495
3600 18317.131 371.21343 0 3763.2748 -7.8914888
3650 17286.506 561.77317 0 3762.978 -9.5744382
3700 20195.973 23.079947 0 3763.075 2.2308219
3750 19477.069 156.18265 0 3763.0472 3.8662256
3800 19437.071 163.60307 0 3763.0607 -1.6260577
3850 18114.139 408.74565 0 3763.2158 5.7534248
3900 17780.606 470.00221 0 3762.707 0.27278357
3950 19083.235 229.14527 0 3763.0776 -0.38459972
4000 17332.613 553.04419 0 3762.7873 7.2572705
4050 17838.164 459.24282 0 3762.6066 9.4618629
4100 19748.485 106.23228 0 3763.3592 -1.3227304
4150 18669.871 305.64498 0 3763.0285 9.8707128
4200 18286.454 376.60394 0 3762.9843 -1.1603243
4250 19667.499 121.24974 0 3763.3792 -2.356893
4300 18346.803 365.73258 0 3763.2887 12.963333
4350 18127.031 406.79738 0 3763.6551 16.067507
4400 18834.985 275.62909 0 3763.5892 -2.2201972
4450 19394.942 171.74025 0 3763.3962 -2.9926549
4500 19387.402 172.96984 0 3763.2295 -17.760204
4550 19274.201 194.05561 0 3763.3521 -1.0363385
4600 19283.152 192.46853 0 3763.4226 3.9126193
4650 16064.04 788.88544 0 3763.7077 17.631736
4700 17655.378 494.16275 0 3763.6772 8.9581192
4750 19812.326 94.29737 0 3763.2466 -3.4986305
4800 19721.731 110.93943 0 3763.1117 0.12938293
4850 18713.963 296.88251 0 3762.4313 -11.010689
4900 19020.921 240.57307 0 3762.9659 3.393091
4950 19948.521 69.07475 0 3763.2453 1.3859474
5000 19551.63 142.38764 0 3763.0598 0.11442397
5050 19137.743 219.1077 0 3763.1342 5.9176796
5100 18773.818 286.31925 0 3762.9522 -0.2373361
5150 18099.811 411.39663 0 3763.2134 8.6375975
5200 17846.906 457.88743 0 3762.87 -2.0505393
5250 19944.306 69.748442 0 3763.1385 -6.9425408
5300 19450.522 161.10582 0 3763.0542 7.2143045
5350 19390.015 172.36569 0 3763.1093 10.157015
5400 19470.97 157.37434 0 3763.1095 3.5799655
5450 19479.316 155.84099 0 3763.1218 1.1740089
5500 19375.652 174.93674 0 3763.0204 1.1717113
5550 19734.894 108.45566 0 3763.0656 3.1034224
5600 19844.39 88.085033 0 3762.972 -2.0205014
5650 19857.987 85.311039 0 3762.7161 -4.9320081
5700 18581.86 321.57045 0 3762.6556 -5.6155794
5750 19221.765 202.98431 0 3762.5704 -2.5334029
5800 20024.532 54.211383 0 3762.458 -0.49372865
5850 19922.504 73.137389 0 3762.49 -1.1010329
5900 19786.736 98.238826 0 3762.4491 2.1353348
5950 20032.341 52.713358 0 3762.4062 1.5918447
6000 19698.515 114.39821 0 3762.2714 5.2535905
6050 20092.47 41.535531 0 3762.3633 4.4313158
6100 18992.382 245.20955 0 3762.3174 3.9955856
6150 19056.092 233.37305 0 3762.279 5.2642063
6200 19708.988 112.39981 0 3762.2124 0.96401793
6250 19082.974 228.50073 0 3762.3848 0.97053036
6300 18314.601 371.09065 0 3762.6835 4.1816668
6350 19485.484 154.20696 0 3762.63 3.5350706
6400 18854 271.1418 0 3762.6233 0.54359448
6450 19553.532 141.6281 0 3762.6526 -0.46938904
6500 18945.656 253.94707 0 3762.4019 3.5625277
6550 20012.296 56.680245 0 3762.661 -4.1708783
6600 20204.53 21.188284 0 3762.7679 -0.28565823
6650 19751.393 105.15751 0 3762.8228 5.92772
6700 17573.47 508.27022 0 3762.6166 16.658203
6750 18426.349 350.52107 0 3762.8078 6.227176
6800 19334.399 182.31214 0 3762.7564 -4.7185337
6850 20022.947 54.961512 0 3762.9147 -2.2879225
6900 19411.473 168.41252 0 3763.1297 -1.3873275
6950 18876.66 267.21676 0 3762.8946 -3.2564665
7000 17990.388 431.53047 0 3763.0838 -0.3491292
7050 17951.598 438.8029 0 3763.1728 4.2039822
7100 19923.689 73.464237 0 3763.0364 -1.1504562
7150 19392.656 171.83189 0 3763.0644 10.31436
7200 19457.417 159.68635 0 3762.9117 5.8258777
7250 18114.335 408.39509 0 3762.9015 12.886558
7300 18679.28 303.83668 0 3762.9625 1.9199952
7350 19795.977 97.071046 0 3762.9928 2.4437023
7400 18801.218 281.95262 0 3763.6596 0.93917193
7450 18781.093 284.88553 0 3762.8657 4.8917751
7500 18745.565 291.50921 0 3762.9102 -2.0549521
7550 19129.479 220.32749 0 3762.8236 -9.6927174
7600 18605.766 317.2091 0 3762.7214 4.3022816
7650 19634.199 127.0486 0 3763.0114 6.175997
7700 19826.006 91.467354 0 3762.95 4.0154955
7750 18032.954 423.98368 0 3763.4197 13.002863
7800 18558.862 325.97557 0 3762.8018 -3.6197214
7850 16967.35 620.30619 0 3762.408 8.4527056
7900 18915.691 260.04265 0 3762.9484 -0.50054873
7950 19521.375 147.88527 0 3762.9548 8.5103423
8000 18120.738 407.31117 0 3763.0034 7.9410575
8050 18392.236 357.04015 0 3763.0098 9.2821515
8100 19213.135 204.96593 0 3762.9539 -4.2134754
8150 19837.014 89.423132 0 3762.9442 -15.238147
8200 19570.852 138.62193 0 3762.8537 -0.37736505
8250 19610.573 131.27814 0 3762.8657 6.8244003
8300 18687.881 302.17082 0 3762.8895 8.4063197
8350 19407.666 168.76224 0 3762.7745 -3.0661227
8400 17285.006 562.03508 0 3762.9622 3.9287852
8450 18840.99 273.43835 0 3762.5106 -1.0962917
8500 17182.062 579.51501 0 3761.3783 13.412302
8550 19979.115 62.965345 0 3762.8014 -2.0139735
8600 19665.679 120.93899 0 3762.7313 -2.999444
8650 18295.226 374.90941 0 3762.9142 3.4631849
8700 19920.717 73.752253 0 3762.7739 -0.93777645
8750 19017.257 240.90435 0 3762.6185 2.4007777
8800 19932.012 71.749635 0 3762.8629 -0.73172205
8850 19237.614 200.1468 0 3762.6679 6.0415591
8900 19800.197 96.222223 0 3762.9254 4.1785184
8950 19932.602 71.810474 0 3763.0331 -5.8050034
9000 18339.859 366.44711 0 3762.7173 -4.7267911
9050 20096.72 41.332233 0 3762.947 -9.6973698
9100 18062.57 418.37013 0 3763.2904 -0.80559636
9150 18803.34 280.85955 0 3762.9595 8.8360837
9200 18365.945 361.84728 0 3762.9482 7.3647233
9250 18905.489 262.04172 0 3763.0582 7.4145993
9300 19764.225 102.97155 0 3763.0132 -4.9376786
9350 20076.437 45.187928 0 3763.0467 -7.8308512
9400 19056.309 234.007 0 3762.9531 -2.9122232
9450 19438.273 163.13956 0 3762.8197 2.7012236
9500 19094.484 226.91102 0 3762.9265 6.1216059
9550 18158.716 399.83409 0 3762.5592 -1.6916112
9600 18281.259 377.36345 0 3762.7818 1.1120263
9650 19078.997 229.64374 0 3762.7913 -8.8131107
9700 19028.247 239.40438 0 3763.1538 2.8821261
9750 20048.955 50.659497 0 3763.429 2.1417216
9800 19488.071 153.82382 0 3762.7258 2.3577617
9850 19015.362 242.02177 0 3763.3851 -1.8015405
9900 20075.334 46.105104 0 3763.7595 -0.89524798
9950 19317.316 186.6637 0 3763.9445 5.2299099
10000 17977.67 434.29852 0 3763.4966 7.3824807
Loop time of 7.51931 on 1 procs for 10000 steps with 81 atoms
Pair time (%) = 0.208975 (2.77918)
Neigh time (%) = 0.0915313 (1.21728)
Comm time (%) = 0.0210772 (0.280307)
Outpt time (%) = 0.0316098 (0.420381)
Other time (%) = 7.16612 (95.3028)
Nlocal: 81 ave 81 max 81 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 67 ave 67 max 67 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 734 ave 734 max 734 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 734
Ave neighs/atom = 9.06173
Neighbor list builds = 995
Dangerous builds = 964

307
examples/rigid/log.rigid.poems2.10Sep10.linux.4
View File

@ -1,307 +0,0 @@
LAMMPS (10 Sep 2010)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
orthogonal box = (-12 -12 -12) to (12 12 12)
1 by 2 by 2 processor grid
81 atoms
velocity all create 100.0 4928459
# unconnected bodies
#group clump1 id <> 1 9
#group clump2 id <> 10 18
#group clump3 id <> 19 27
#group clump4 id <> 28 36
#group clump5 id <> 37 45
#group clump6 id <> 46 54
#group clump7 id <> 55 63
#group clump8 id <> 64 72
#group clump9 id <> 73 81
#fix 1 all rigid group 9 clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 1 chain of connected bodies
#group clump1 id <> 1 9
#group clump2 id <> 9 18
#group clump3 id <> 18 27
#group clump4 id <> 27 36
#group clump5 id <> 36 45
#group clump6 id <> 45 54
#group clump7 id <> 54 63
#group clump8 id <> 63 72
#group clump9 id <> 72 81
#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 2 chains of connected bodies
group clump1 id <> 1 9
9 atoms in group clump1
group clump2 id <> 9 18
10 atoms in group clump2
group clump3 id <> 18 27
10 atoms in group clump3
group clump4 id <> 27 36
10 atoms in group clump4
group clump5 id <> 37 45
9 atoms in group clump5
group clump6 id <> 45 54
10 atoms in group clump6
group clump7 id <> 54 63
10 atoms in group clump7
group clump8 id <> 63 72
10 atoms in group clump8
group clump9 id <> 72 81
10 atoms in group clump9
fix 1 all poems group clump1 clump2 clump3 clump4
1 clusters, 4 bodies, 3 joints, 36 atoms
fix 2 all poems group clump5 clump6 clump7 clump8 clump9
1 clusters, 5 bodies, 4 joints, 45 atoms
neigh_modify exclude group clump1 clump1
neigh_modify exclude group clump2 clump2
neigh_modify exclude group clump3 clump3
neigh_modify exclude group clump4 clump4
neigh_modify exclude group clump5 clump5
neigh_modify exclude group clump6 clump6
neigh_modify exclude group clump7 clump7
neigh_modify exclude group clump8 clump8
neigh_modify exclude group clump9 clump9
thermo 100
dump 1 all atom 50 dump.rigid
timestep 0.0001
thermo 50
run 10000
Memory usage per processor = 2.01123 Mbytes
Step Temp E_pair E_mol TotEng Press
0 196.00047 3632.2347 0 3668.5311 -2.7403788
50 12167.633 1505.5478 0 3758.8133 35.125973
100 17556.978 512.66277 0 3763.9549 11.137534
150 19579.586 138.04942 0 3763.8987 -29.953971
200 19757.51 105.30542 0 3764.1036 -0.030645317
250 18218.374 390.10747 0 3763.8804 13.711001
300 19383.039 174.40688 0 3763.8586 5.7240693
350 20125.986 36.972611 0 3764.0071 1.9559205
400 18888.816 266.10975 0 3764.0386 9.6362168
450 19307.656 188.2511 0 3763.743 1.9326206
500 16331.197 738.56392 0 3762.8597 9.1715579
550 19318.722 186.16172 0 3763.7027 3.0115336
600 19455.268 161.20621 0 3764.0336 0.55208034
650 18487.011 340.03216 0 3763.5528 -8.0359122
700 17321.201 556.32471 0 3763.9545 -13.631751
750 18979.187 249.04389 0 3763.7082 -2.6072455
800 19342.456 181.85552 0 3763.7918 8.1918726
850 19070.641 232.19342 0 3763.7936 7.3148472
900 19478.873 156.65987 0 3763.8586 2.4284987
950 19912.415 76.437437 0 3763.9216 -1.4667227
1000 16003.749 802.39753 0 3766.0548 46.642188
1050 19859.583 86.64176 0 3764.3424 -2.1961943
1100 19229.575 203.61488 0 3764.6473 -10.632365
1150 18821.6 279.15861 0 3764.64 -0.89495035
1200 19392.695 173.59744 0 3764.8373 1.8508753
1250 16459.624 717.32104 0 3765.3995 33.478127
1300 19343.863 182.59043 0 3764.7874 0.75890736
1350 20019.643 57.503573 0 3764.8448 0.31444671
1400 18549.582 329.31436 0 3764.4221 10.738303
1450 15163.926 957.47586 0 3765.6103 -17.92346
1500 19223.687 204.15183 0 3764.0939 -1.613452
1550 18147.996 404.12678 0 3764.8668 8.4194792
1600 18615.043 317.42471 0 3764.6548 -2.328888
1650 20120.654 38.887881 0 3764.935 -8.7620354
1700 19450.909 162.98241 0 3765.0025 2.3254789
1750 19374.63 177.37995 0 3765.2744 8.9328763
1800 19424.404 167.93955 0 3765.0514 0.081220933
1850 17936.1 442.87 0 3764.3699 6.6014756
1900 19982.594 64.406503 0 3764.8868 -2.9529121
1950 16215.619 761.95672 0 3764.8492 13.995838
2000 18584.496 322.10685 0 3763.6801 7.1651945
2050 20107.964 41.026039 0 3764.723 -0.31084414
2100 20002.302 60.598773 0 3764.7288 -6.7920451
2150 16950.131 626.52771 0 3765.4408 3.5076647
2200 20010.956 58.807771 0 3764.5404 -10.861976
2250 18982.744 247.00634 0 3762.3293 -0.53839654
2300 18401.154 354.9061 0 3762.5273 1.0923966
2350 19390.595 172.92834 0 3763.7792 -3.3521101
2400 16078.625 786.7919 0 3764.3151 -16.207471
2450 18869.621 268.89582 0 3763.27 11.21117
2500 19689.747 117.31178 0 3763.5612 4.3696681
2550 18867.503 269.40267 0 3763.3847 -5.6740544
2600 17025.031 610.65544 0 3763.4389 6.2922035
2650 18722.979 296.68253 0 3763.9008 2.4486275
2700 19752.631 105.35565 0 3763.2503 -0.38806443
2750 19523.86 147.89214 0 3763.4217 -1.5699212
2800 17824.742 462.36762 0 3763.2457 29.88684
2850 18900.07 263.12089 0 3763.1339 3.7469477
2900 20156.26 30.547086 0 3763.1879 2.8531769
2950 17892.834 449.47501 0 3762.9628 4.2604498
3000 18921.535 258.83469 0 3762.8227 3.6366493
3050 18942.264 255.34101 0 3763.1677 5.9431888
3100 19186.564 210.61998 0 3763.6874 -1.5092481
3150 19329.841 184.38858 0 3763.9887 -12.789867
3200 19513.54 150.18116 0 3763.7996 -4.3347529
3250 19255.507 197.87801 0 3763.7127 1.6002526
3300 18556.725 327.9082 0 3764.3388 2.4974803
3350 17608.395 503.54346 0 3764.3574 8.6712486
3400 17603.805 504.39392 0 3764.3579 22.038889
3450 19367.153 177.62013 0 3764.13 4.3869626
3500 19490.748 154.55154 0 3763.9494 4.2491723
3550 19252.577 198.74542 0 3764.0375 3.7555647
3600 19618.71 131.08723 0 3764.1817 1.1641057
3650 19764.817 104.02195 0 3764.1733 -5.3879599
3700 20065.851 48.303428 0 3764.2017 -8.5287482
3750 19657.673 123.7888 0 3764.0986 -3.0574522
3800 19231.172 202.8531 0 3764.1813 -1.2557769
3850 16977.006 619.97078 0 3763.8609 35.024596
3900 18162.257 400.96022 0 3764.3412 5.1826166
3950 19396.674 171.98603 0 3763.9626 -4.0493383
4000 17097.924 596.93651 0 3763.2187 -2.4355895
4050 19430.757 165.64349 0 3763.9319 2.7828421
4100 18179.952 396.66435 0 3763.3222 12.030454
4150 18069.67 417.5026 0 3763.7378 13.1993
4200 18830.585 276.37372 0 3763.519 0.20219018
4250 18593.941 319.94813 0 3763.2706 12.934954
4300 19222.198 204.0215 0 3763.6877 -7.8670773
4350 18788.218 284.19011 0 3763.4898 2.642334
4400 17135.462 589.60206 0 3762.8357 20.662124
4450 17710.847 484.4311 0 3764.2176 13.607715
4500 18252.744 383.62367 0 3763.7615 1.7152902
4550 19313.302 186.96858 0 3763.506 -6.0976906
4600 19779.729 100.71531 0 3763.6281 3.744918
4650 17249.548 568.7429 0 3763.1037 36.950665
4700 17365.318 547.8892 0 3763.6888 -5.7640157
4750 18735.4 294.47323 0 3763.9918 -13.921515
4800 19516.348 149.54153 0 3763.6801 -1.1225408
4850 19893.801 79.890958 0 3763.9283 -2.6978448
4900 18870.675 268.8245 0 3763.394 -1.205972
4950 18786.324 285.06829 0 3764.0172 -6.3220806
5000 19556.384 142.41419 0 3763.9667 -8.0772447
5050 19748.811 106.55285 0 3763.7401 -2.9201553
5100 18825.455 277.63941 0 3763.8347 2.6584804
5150 17813.427 464.9856 0 3763.7684 5.6228029
5200 18971.586 250.49268 0 3763.7493 4.2221084
5250 18457.47 345.69505 0 3763.7451 17.424882
5300 19599.702 133.99385 0 3763.5683 3.7445015
5350 17670.404 490.74628 0 3763.0432 -10.596773
5400 18914.057 260.33687 0 3762.94 0.95984051
5450 18811.87 279.62435 0 3763.304 0.032108848
5500 19679.315 119.19158 0 3763.5093 -1.0801324
5550 17547.564 514.05408 0 3763.603 2.932047
5600 19527.283 147.12679 0 3763.2904 -5.5487295
5650 19636.243 127.17887 0 3763.5201 3.8600669
5700 18858.375 271.27235 0 3763.564 13.25638
5750 19598.598 133.92658 0 3763.2966 5.6608095
5800 19765.637 103.21215 0 3763.5154 5.7387962
5850 17903.638 448.17509 0 3763.6636 7.6021051
5900 19937.298 71.544085 0 3763.6362 3.6343453
5950 19743.551 107.50494 0 3763.7181 -0.28879171
6000 17341.747 552.09661 0 3763.5312 -11.172997
6050 20159.583 30.566286 0 3763.8225 -20.216023
6100 19656.067 123.70924 0 3763.7217 -8.9594266
6150 19419.747 167.41543 0 3763.6649 2.7360986
6200 19156.034 216.10407 0 3763.5178 5.3716251
6250 19936.825 71.594811 0 3763.5994 4.4997421
6300 18907.669 262.32421 0 3763.7445 7.1419863
6350 19131.84 220.66403 0 3763.5973 4.5814013
6400 18596.838 319.56455 0 3763.4235 0.36054246
6450 19163.662 214.37943 0 3763.2057 8.1195998
6500 19423.798 166.08278 0 3763.0823 2.6599459
6550 18617.609 315.18414 0 3762.8896 4.6351787
6600 19058.151 233.87235 0 3763.1596 2.5493616
6650 19320.833 185.16292 0 3763.095 -2.7409621
6700 18866.113 269.11301 0 3762.8376 3.667815
6750 18398.3 355.57998 0 3762.6725 4.1400138
6800 19775.119 101.0808 0 3763.1399 -0.41724796
6850 19450.434 161.2115 0 3763.1438 3.3480054
6900 19660.769 122.24506 0 3763.1282 6.8214494
6950 19862.396 84.929556 0 3763.151 3.4682885
7000 19178.709 211.49744 0 3763.1103 2.1915699
7050 19307.098 187.73187 0 3763.1204 -6.1641344
7100 19801.521 96.166898 0 3763.1152 -9.1812404
7150 19630.398 127.87118 0 3763.1301 -0.54468764
7200 19879.695 81.695648 0 3763.1207 -8.3577309
7250 20049.061 50.355713 0 3763.1448 -0.89513129
7300 19965.303 65.868487 0 3763.1467 5.5243409
7350 19221.344 203.65165 0 3763.1599 7.9634924
7400 19080.032 229.80747 0 3763.1467 7.9373476
7450 19533.575 145.82808 0 3763.1569 5.7752799
7500 17038.63 608.54005 0 3763.8419 19.831909
7550 19812.43 94.110679 0 3763.0792 -4.0396879
7600 18033.196 423.47442 0 3762.9552 -0.29911651
7650 18485.224 339.58147 0 3762.7712 10.978311
7700 18418.868 352.05469 0 3762.9561 12.577451
7750 19236.207 200.77192 0 3763.0325 -5.3134885
7800 19793.261 97.561016 0 3762.9798 -7.4446478
7850 17973.458 434.44135 0 3762.8596 2.976453
7900 19828.512 91.242788 0 3763.1894 1.8434493
7950 18711.872 298.03827 0 3763.1998 7.274524
8000 18703.549 299.67744 0 3763.2977 -0.55225735
8050 18845.516 273.15653 0 3763.0668 -9.5959435
8100 17453.542 531.39597 0 3763.5335 -0.58613283
8150 19939.294 70.858759 0 3763.3207 -7.7879396
8200 19638.228 126.67658 0 3763.3855 -9.4045425
8250 18794.522 282.4717 0 3762.9387 -7.875818
8300 18100.273 410.46952 0 3762.3719 -2.5085703
8350 15878.668 822.55512 0 3763.0492 -5.169235
8400 18925.386 257.73318 0 3762.4344 -1.6783529
8450 17065.046 601.98685 0 3762.1806 10.985553
8500 15933.21 812.81643 0 3763.4109 9.3461117
8550 18400.539 355.52075 0 3763.0279 -2.7182209
8600 17671.834 490.71057 0 3763.2724 -4.5016918
8650 16882.152 636.54752 0 3762.8721 8.1748844
8700 19302.972 188.50187 0 3763.1263 3.9263132
8750 19148.106 217.12855 0 3763.0741 0.87905637
8800 18081.197 414.88251 0 3763.2523 15.896023
8850 18515.824 334.37499 0 3763.2312 -2.1535329
8900 19177.409 211.40159 0 3762.7736 6.2782336
8950 18825.723 275.64695 0 3761.8919 -1.4629014
9000 16213.989 763.41693 0 3766.0074 28.041436
9050 16649.08 678.75989 0 3761.9229 9.1222856
9100 19637.715 126.57522 0 3763.1891 0.36977524
9150 19022.662 240.6876 0 3763.4028 -13.813046
9200 19625.142 128.93061 0 3763.2162 0.0246202
9250 15974.485 805.21436 0 3763.4523 23.17349
9300 18543.839 329.23058 0 3763.2749 2.3639361
9350 16989.506 616.07879 0 3762.2836 8.0415847
9400 16186.964 765.76391 0 3763.3499 -3.7036622
9450 15636.673 867.43389 0 3763.1141 42.450187
9500 18074.528 415.75995 0 3762.8948 -10.308175
9550 19507.08 150.78418 0 3763.2064 -12.434749
9600 19694.211 115.53858 0 3762.6147 1.2116206
9650 18638.567 310.78659 0 3762.3731 -0.89821286
9700 15252.287 938.88024 0 3763.3778 27.200069
9750 17157.545 585.07819 0 3762.4013 12.219964
9800 16669.206 676.55598 0 3763.446 5.4584777
9850 17372.206 545.72657 0 3762.8018 0.82067295
9900 19636.581 126.56591 0 3762.9697 -3.1626822
9950 16860.357 641.3009 0 3763.5893 4.0415447
10000 19959.36 66.839595 0 3763.0173 -4.2182701
Loop time of 7.54642 on 4 procs for 10000 steps with 81 atoms
Pair time (%) = 0.0562297 (0.745117)
Neigh time (%) = 0.0256721 (0.340189)
Comm time (%) = 0.311885 (4.13288)
Outpt time (%) = 0.0352556 (0.467183)
Other time (%) = 7.11738 (94.3146)
Nlocal: 20.25 ave 45 max 0 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Nghost: 23.5 ave 45 max 12 min
Histogram: 2 0 0 1 0 0 0 0 0 1
Neighs: 139.75 ave 321 max 0 min
Histogram: 2 0 0 0 0 0 0 1 0 1
Total # of neighbors = 559
Ave neighs/atom = 6.90123
Neighbor list builds = 992
Dangerous builds = 933