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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@646 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-06-22 23:46:37 +00:00
parent b704a82daf
commit e3fa1c4ef6
42 changed files with 159 additions and 6082 deletions
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305
examples/rigid/log.rigid.12Feb07.liberty.4
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@ -1,305 +0,0 @@
LAMMPS (12 Feb 2007)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
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 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 = 1.41814 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 -7.9722842e-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 1.2554429 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 7.8460621 0 5269.4737 12.389816
3600 16734.939 1.0821936 0 5269.4891 12.173591
3650 16738.808 -0.13663194 0 5269.4882 12.027009
3700 16738.602 -0.070934368 0 5269.4889 12.025288
3750 16737.731 0.20706558 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 -0.0002211587 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 -0.00039690664 0 5269.5189 12.011706
8500 16738.481 -0.0034646803 0 5269.5182 12.011643
8550 16738.483 -0.0045307409 0 5269.5178 12.011621
8600 16738.474 -0.00076532812 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 -0.00037652437 0 5269.5216 12.011692
9550 16738.493 -0.0053156161 0 5269.5203 12.011611
9600 16738.549 -0.02681437 0 5269.5163 12.011415
9650 16738.765 -0.10191523 0 5269.5092 12.011013
9700 16735.041 1.058989 0 5269.4979 12.062708
9750 16738.013 0.1355011 0 5269.5101 11.407245
9800 16738.512 -0.011620328 0 5269.5201 11.394974
9850 16738.489 -0.00067270524 0 5269.5237 11.395098
9900 16738.489 -0.00024984559 0 5269.5242 11.395085
9950 16738.49 0 0 5269.5245 11.395076
10000 16738.49 0 0 5269.5246 11.395075
Loop time of 1.86143 on 4 procs for 10000 steps with 81 atoms
Pair time (%) = 0.0128456 (0.690097)
Neigh time (%) = 0.0243435 (1.30779)
Comm time (%) = 1.21756 (65.4102)
Outpt time (%) = 0.102895 (5.52778)
Other time (%) = 0.503778 (27.0641)
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

305
examples/rigid/log.rigid.12Feb07.linux.1
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@ -1,305 +0,0 @@
LAMMPS (12 Feb 2007)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
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 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 = 1.42781 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 -7.9722836e-05 0 5269.5046 14.510657
2650 16733.017 1.7051479 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 7.2419352 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 1.2554429 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 7.8460621 0 5269.4737 12.389816
3600 16734.939 1.0821936 0 5269.4891 12.173591
3650 16738.808 -0.13663194 0 5269.4882 12.027009
3700 16738.602 -0.070934368 0 5269.4889 12.025288
3750 16737.731 0.20706558 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 -0.0002211587 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 -0.00039690665 0 5269.5189 12.011706
8500 16738.481 -0.0034646803 0 5269.5182 12.011643
8550 16738.483 -0.0045307409 0 5269.5178 12.011621
8600 16738.474 -0.00076532811 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 -0.00037652435 0 5269.5216 12.011692
9550 16738.493 -0.0053156161 0 5269.5203 12.011611
9600 16738.549 -0.026814369 0 5269.5163 12.011415
9650 16738.765 -0.10191523 0 5269.5092 12.011013
9700 16735.041 1.0589887 0 5269.4979 12.062708
9750 16738.013 0.1355012 0 5269.5101 11.407246
9800 16738.512 -0.011620328 0 5269.5201 11.394974
9850 16738.489 -0.00067270518 0 5269.5237 11.395098
9900 16738.489 -0.00024984554 0 5269.5242 11.395085
9950 16738.49 0 0 5269.5245 11.395076
10000 16738.49 0 0 5269.5246 11.395075
Loop time of 0.851031 on 1 procs for 10000 steps with 81 atoms
Pair time (%) = 0.071532 (8.40533)
Neigh time (%) = 0.117486 (13.8051)
Comm time (%) = 0.108591 (12.7599)
Outpt time (%) = 0.133537 (15.6912)
Other time (%) = 0.419885 (49.3384)
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

305
examples/rigid/log.rigid.poems.12Feb07.liberty.4
View File

@ -1,305 +0,0 @@
LAMMPS (12 Feb 2007)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
1 by 2 by 2 processor grid
81 atoms
velocity all create 100.0 4928459
# unconnected bodies
#group clump1 id <> 1 9
#group clump2 id <> 10 18
#group clump3 id <> 19 27
#group clump4 id <> 28 36
#group clump5 id <> 37 45
#group clump6 id <> 46 54
#group clump7 id <> 55 63
#group clump8 id <> 64 72
#group clump9 id <> 73 81
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 1 chain of connected bodies
group clump1 id <> 1 9
9 atoms in group clump1
group clump2 id <> 9 18
10 atoms in group clump2
group clump3 id <> 18 27
10 atoms in group clump3
group clump4 id <> 27 36
10 atoms in group clump4
group clump5 id <> 36 45
10 atoms in group clump5
group clump6 id <> 45 54
10 atoms in group clump6
group clump7 id <> 54 63
10 atoms in group clump7
group clump8 id <> 63 72
10 atoms in group clump8
group clump9 id <> 72 81
10 atoms in group clump9
fix 1 all poems group clump1 clump2 clump3 clump4 clump5 clump6 clump7 clump8 clump9
1 clusters, 9 bodies, 8 joints, 81 atoms
# 2 chains of connected bodies
#group clump1 id <> 1 9
#group clump2 id <> 9 18
#group clump3 id <> 18 27
#group clump4 id <> 27 36
#group clump5 id <> 37 45
#group clump6 id <> 45 54
#group clump7 id <> 54 63
#group clump8 id <> 63 72
#group clump9 id <> 72 81
#fix 1 all poems group clump1 clump2 clump3 clump4
#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
neigh_modify exclude group clump1 clump1
neigh_modify exclude group clump2 clump2
neigh_modify exclude group clump3 clump3
neigh_modify exclude group clump4 clump4
neigh_modify exclude group clump5 clump5
neigh_modify exclude group clump6 clump6
neigh_modify exclude group clump7 clump7
neigh_modify exclude group clump8 clump8
neigh_modify exclude group clump9 clump9
thermo 100
dump 1 all atom 50 dump.rigid
timestep 0.0001
thermo 50
run 10000
Memory usage per processor = 1.4946 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 7.4384276
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 -1.2184718
1150 20849.582 206.01695 0 3680.9472 -0.86699164
1200 21815.003 45.317416 0 3681.1512 1.5988314
1250 18655.437 572.41453 0 3681.654 10.064076
1300 20780.781 217.36505 0 3680.8286 6.0538621
1350 20558.972 254.3648 0 3680.8601 -3.6773984
1400 21485.029 99.812952 0 3680.6511 -16.185471
1450 21771.108 52.159597 0 3680.6775 -2.4756679
1500 21520.948 93.503946 0 3680.3286 2.1023577
1550 21351.418 121.68139 0 3680.2511 5.5159972
1600 20778.805 216.92173 0 3680.0559 15.089183
1650 21477.639 100.21821 0 3679.8247 -1.1045931
1700 18501.343 596.4785 0 3680.0357 -15.679631
1750 18563.643 587.3477 0 3681.2882 33.53217
1800 19110.189 494.82277 0 3679.8543 18.024037
1850 21364.196 119.23462 0 3679.9339 2.529149
1900 20146.64 322.14631 0 3679.9197 5.7311673
1950 20692.671 231.25338 0 3680.0319 4.2977687
2000 20943.903 189.11238 0 3679.7629 -22.645639
2050 19668.148 401.81475 0 3679.8394 3.6256063
2100 20280.572 299.73979 0 3679.8351 7.4809366
2150 19182.127 483.47805 0 3680.4992 22.615355
2200 21299.767 130.77158 0 3680.7327 4.7114063
2250 20487.762 266.50325 0 3681.1302 -8.6408345
2300 18655.048 571.92772 0 3681.1023 -5.266975
2350 21512.632 95.763771 0 3681.2025 -9.3526622
2400 21467.744 103.31997 0 3681.2773 -29.599491
2450 20097.033 332.78544 0 3682.291 35.886632
2500 20761.514 222.1498 0 3682.4021 -12.52654
2550 20410.179 280.57555 0 3682.272 -22.280218
2600 21469.95 103.95758 0 3682.2826 -10.039024
2650 20711.858 230.38535 0 3682.3616 5.3554349
2700 18584.052 585.19766 0 3682.5397 21.807604
2750 20511.368 263.53176 0 3682.0931 -4.7085799
2800 20592.991 249.9677 0 3682.1328 -6.5329985
2850 17078.939 835.43473 0 3681.9245 16.780854
2900 19704.624 397.94471 0 3682.0488 -0.87435077
2950 19282.968 468.43149 0 3682.2595 7.0271622
3000 20552.037 256.84085 0 3682.1804 -2.9282943
3050 20934.711 193.08576 0 3682.2043 3.8942358
3100 21703.768 64.8113 0 3682.106 0.063237279
3150 18722.82 561.7019 0 3682.172 -1.4520091
3200 18284.044 634.53317 0 3681.8739 6.3415584
3250 21255.255 139.48628 0 3682.0288 2.6455564
3300 20558.956 255.77083 0 3682.2636 -3.9152408
3350 20373.309 286.62048 0 3682.1719 4.5400971
3400 20618.175 245.81811 0 3682.1806 5.7100283
3450 19473.455 436.70128 0 3682.2771 11.870427
3500 18903.565 531.91776 0 3682.5119 -9.3476901
3550 21030.252 177.18619 0 3682.2282 -14.260278
3600 19942.611 357.98433 0 3681.7528 11.183792
3650 20388.541 283.86156 0 3681.9518 -8.2736257
3700 20724.985 226.58383 0 3680.748 -13.429981
3750 21586.121 84.456333 0 3682.1432 -2.7515188
3800 21478.159 102.70951 0 3682.4027 -2.5874121
3850 18107.437 665.11995 0 3683.0262 11.062091
3900 19602.682 415.48105 0 3682.5947 17.867347
3950 19208.319 480.73213 0 3682.1186 0.55405471
4000 20700.944 232.01332 0 3682.1706 4.2790356
4050 18241.028 641.65227 0 3681.8236 14.819974
4100 16330.098 961.03753 0 3682.7206 -8.1781858
4150 20507.949 263.34806 0 3681.3396 -5.2032219
4200 21620.592 79.051795 0 3682.4838 -11.796063
4250 20841.315 209.02052 0 3682.573 -5.781042
4300 21378.616 119.44038 0 3682.5431 -3.0055326
4350 21391.4 116.89963 0 3682.133 1.2620601
4400 20092.07 333.32793 0 3682.0062 11.429014
4450 19315.512 461.83055 0 3681.0825 1.3462703
4500 20839.628 208.21416 0 3681.4855 4.709479
4550 14522.388 1263.1063 0 3683.5043 -20.816537
4600 21284.581 134.21556 0 3681.6457 -4.8183612
4650 20126.198 327.1439 0 3681.5103 -5.5395838
4700 21764.236 54.44036 0 3681.813 3.4863656
4750 21095.836 165.90339 0 3681.876 6.1541649
4800 20619.747 245.94729 0 3682.5718 2.5595916
4850 20763.177 222.12286 0 3682.6523 -8.6266804
4900 20537.14 259.67462 0 3682.5313 -15.421035
4950 21422.584 112.253 0 3682.6837 -1.4727022
5000 16257.411 972.68578 0 3682.2542 2.3147962
5050 19857.171 373.56369 0 3683.0922 -15.300375
5100 15635.264 1076.6903 0 3682.5676 36.8946
5150 21553.911 90.645813 0 3682.9642 1.5400926
5200 21559.956 89.704166 0 3683.0302 2.0981184
5250 19117.968 496.85067 0 3683.1787 29.282193
5300 21330.342 127.91971 0 3682.9767 2.4699055
5350 21829.625 44.595903 0 3682.8667 -11.606558
5400 21789.041 51.183465 0 3682.6902 -3.8674971
5450 19143.18 491.7975 0 3682.3275 -0.6880826
5500 19773.011 386.55132 0 3682.0532 -0.39276859
5550 21170.746 153.72971 0 3682.1873 -0.039885143
5600 20634.546 243.05851 0 3682.1496 -10.510731
5650 18940.14 525.80138 0 3682.4913 -8.4026702
5700 18137.059 658.45807 0 3681.3012 1.8086854
5750 18402.492 614.81681 0 3681.8988 18.121726
5800 15725.316 1060.3153 0 3681.2013 32.3919
5850 21350.969 122.71085 0 3681.2057 1.6244497
5900 20596.373 248.09794 0 3680.8268 -10.287271
5950 19586.195 416.65918 0 3681.0251 7.1327258
6000 20566.394 252.63425 0 3680.3666 9.3309712
6050 18063.299 667.31886 0 3677.8687 -10.246241
6100 17305.121 797.2545 0 3681.4414 14.554146
6150 19696.433 395.50284 0 3678.2416 4.1990406
6200 20908.19 195.69314 0 3680.3915 -9.0297611
6250 20767.885 219.35847 0 3680.6727 -5.4239147
6300 20271.076 302.48547 0 3680.9981 7.5881011
6350 21510.748 96.348849 0 3681.4736 -0.28663642
6400 21731.982 60.504382 0 3682.5014 -3.5673143
6450 19495.709 434.28569 0 3683.5706 4.7979099
6500 18668.623 571.92754 0 3683.3647 1.5185672
6550 16004.711 1016.2903 0 3683.7422 8.1972253
6600 20629.015 244.44595 0 3682.615 3.8351386
6650 21647.055 75.493996 0 3683.3365 -0.10989704
6700 19793.226 384.41402 0 3683.2851 7.7597696
6750 20441.55 275.94512 0 3682.8702 3.6110747
6800 21623.66 79.350309 0 3683.2936 -6.3458991
6850 21644.786 75.922535 0 3683.3869 -22.166786
6900 18150.965 657.76117 0 3682.9219 -14.903565
6950 21192.162 150.83369 0 3682.8607 -7.6579085
7000 20481.657 268.91866 0 3682.5281 -10.728925
7050 19265.165 471.58584 0 3682.4467 -3.1547895
7100 20241.165 308.92052 0 3682.4479 10.770847
7150 20883.514 201.92495 0 3682.5106 12.276271
7200 20675.066 236.51208 0 3682.3564 4.0653811
7250 21464.099 105.01329 0 3682.3631 -4.2891409
7300 19279.539 469.63353 0 3682.89 19.415276
7350 20266.489 304.68631 0 3682.4344 -0.15439874
7400 18978.717 519.39579 0 3682.5153 19.185958
7450 20816.852 213.20924 0 3682.6845 18.435432
7500 20655.662 240.16805 0 3682.7785 -4.4996568
7550 19061.292 506.0418 0 3682.9238 -1.7545473
7600 20564.235 255.25251 0 3682.625 -5.3903401
7650 21273.693 137.41485 0 3683.0303 -6.9034645
7700 20999.106 183.2458 0 3683.0968 -5.9941062
7750 18886.194 534.2212 0 3681.9202 5.9891004
7800 20327.925 294.85306 0 3682.8405 -2.5902629
7850 19533.408 427.77688 0 3683.3448 -4.9977086
7900 20973.609 187.37509 0 3682.9765 0.11759117
7950 18164.635 654.02996 0 3681.4691 16.402128
8000 20938.276 193.48738 0 3683.2 -5.9311301
8050 20819.498 213.21616 0 3683.1324 1.3392987
8100 19553.561 424.27379 0 3683.2006 -2.5040641
8150 17524.659 759.26187 0 3680.0384 -37.279253
8200 21104.916 165.88837 0 3683.3744 -3.8952964
8250 19614.453 414.27984 0 3683.3553 -2.9352541
8300 13365.081 1457.0212 0 3684.5347 100.4608
8350 20920.925 197.0494 0 3683.8702 -11.661629
8400 19724.857 396.41163 0 3683.8878 0.74045509
8450 21751.144 58.967512 0 3684.1583 -4.095218
8500 21283.998 136.40954 0 3683.7425 -5.4781843
8550 19255.08 474.01022 0 3683.1903 0.61248835
8600 20786.099 219.06078 0 3683.4107 9.7864578
8650 20801.493 216.74923 0 3683.6647 7.1280503
8700 19893.433 368.11056 0 3683.6827 -9.5312543
8750 21072.739 171.47966 0 3683.6028 -17.222136
8800 18791.068 551.89466 0 3683.7394 -13.425301
8850 20323.723 296.58355 0 3683.8708 1.2544121
8900 19160.522 487.13728 0 3680.5575 7.5449432
8950 20247.9 309.46468 0 3684.1146 -11.397923
9000 20721.089 230.36979 0 3683.8846 11.354348
9050 21798.873 51.104409 0 3684.25 -9.645863
9100 21093.423 168.78605 0 3684.3565 -1.2127948
9150 20954.177 191.65626 0 3684.0191 0.61911701
9200 17054.376 842.546 0 3684.942 41.714389
9250 19253.515 475.58375 0 3684.5029 13.186069
9300 21681.124 71.036838 0 3684.5575 -4.139581
9350 21796.739 51.725799 0 3684.5157 -8.5902286
9400 21631.679 79.362722 0 3684.6425 -8.7541514
9450 18537.758 595.38459 0 3685.011 -6.2719267
9500 17152.352 824.77642 0 3683.5018 46.593524
9550 20928.938 196.82808 0 3684.9843 -1.5521829
9600 15991.62 1020.98 0 3686.25 -3.8314742
9650 19629.68 414.15513 0 3685.7685 32.867017
9700 20900.569 201.75492 0 3685.183 6.1694301
9750 17072.588 841.426 0 3686.8573 -4.0468499
9800 21939.049 29.032402 0 3685.5406 -9.1896877
9850 21261.674 141.7745 0 3685.3869 -13.02325
9900 19393.195 452.88226 0 3685.0814 1.4304574
9950 17226.824 814.05288 0 3685.1902 19.353254
10000 20630.15 245.97222 0 3684.3306 0.61583151
Loop time of 16.4503 on 4 procs for 10000 steps with 81 atoms
Pair time (%) = 0.123495 (0.750712)
Neigh time (%) = 0.0552313 (0.335746)
Comm time (%) = 1.68884 (10.2663)
Outpt time (%) = 0.101621 (0.617742)
Other time (%) = 14.4811 (88.0295)
Nlocal: 20.25 ave 74 max 0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Nghost: 42 ave 90 max 0 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Neighs: 211.25 ave 769 max 0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Total # of neighbors = 845
Ave neighs/atom = 10.4321
Neighbor list builds = 991
Dangerous builds = 929

305
examples/rigid/log.rigid.poems.12Feb07.linux.1
View File

@ -1,305 +0,0 @@
LAMMPS (12 Feb 2007)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
1 by 1 by 1 processor grid
81 atoms
velocity all create 100.0 4928459
# unconnected bodies
#group clump1 id <> 1 9
#group clump2 id <> 10 18
#group clump3 id <> 19 27
#group clump4 id <> 28 36
#group clump5 id <> 37 45
#group clump6 id <> 46 54
#group clump7 id <> 55 63
#group clump8 id <> 64 72
#group clump9 id <> 73 81
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 1 chain of connected bodies
group clump1 id <> 1 9
9 atoms in group clump1
group clump2 id <> 9 18
10 atoms in group clump2
group clump3 id <> 18 27
10 atoms in group clump3
group clump4 id <> 27 36
10 atoms in group clump4
group clump5 id <> 36 45
10 atoms in group clump5
group clump6 id <> 45 54
10 atoms in group clump6
group clump7 id <> 54 63
10 atoms in group clump7
group clump8 id <> 63 72
10 atoms in group clump8
group clump9 id <> 72 81
10 atoms in group clump9
fix 1 all poems group clump1 clump2 clump3 clump4 clump5 clump6 clump7 clump8 clump9
1 clusters, 9 bodies, 8 joints, 81 atoms
# 2 chains of connected bodies
#group clump1 id <> 1 9
#group clump2 id <> 9 18
#group clump3 id <> 18 27
#group clump4 id <> 27 36
#group clump5 id <> 37 45
#group clump6 id <> 45 54
#group clump7 id <> 54 63
#group clump8 id <> 63 72
#group clump9 id <> 72 81
#fix 1 all poems group clump1 clump2 clump3 clump4
#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
neigh_modify exclude group clump1 clump1
neigh_modify exclude group clump2 clump2
neigh_modify exclude group clump3 clump3
neigh_modify exclude group clump4 clump4
neigh_modify exclude group clump5 clump5
neigh_modify exclude group clump6 clump6
neigh_modify exclude group clump7 clump7
neigh_modify exclude group clump8 clump8
neigh_modify exclude group clump9 clump9
thermo 100
dump 1 all atom 50 dump.rigid
timestep 0.0001
thermo 50
run 10000
Memory usage per processor = 1.50473 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 -0.86699156
1200 21815.003 45.317415 0 3681.1512 1.5988314
1250 18655.437 572.41453 0 3681.654 10.064077
1300 20780.781 217.36506 0 3680.8286 6.053862
1350 20558.972 254.36481 0 3680.8601 -3.6773966
1400 21485.029 99.812935 0 3680.6511 -16.185472
1450 21771.107 52.159605 0 3680.6775 -2.4756675
1500 21520.948 93.503934 0 3680.3286 2.1023577
1550 21351.418 121.68138 0 3680.2511 5.5159957
1600 20778.805 216.92176 0 3680.0559 15.089186
1650 21477.638 100.2183 0 3679.8247 -1.1045812
1700 18501.341 596.47889 0 3680.0357 -15.67966
1750 18563.642 587.34786 0 3681.2882 33.532195
1800 19110.187 494.82315 0 3679.8543 18.024044
1850 21364.193 119.2351 0 3679.9339 2.5291255
1900 20146.632 322.14766 0 3679.9197 5.7312569
1950 20692.671 231.25335 0 3680.0319 4.2977718
2000 20943.904 189.1123 0 3679.7629 -22.645328
2050 19668.094 401.82367 0 3679.8394 3.625351
2100 20280.495 299.75279 0 3679.8352 7.4808501
2150 19181.964 483.50484 0 3680.4989 22.618437
2200 21300.002 130.73207 0 3680.7324 4.7107204
2250 20487.278 266.58364 0 3681.13 -8.6436788
2300 18653.922 572.11506 0 3681.102 -5.2650803
2350 21513.162 95.675284 0 3681.2022 -9.358275
2400 21466.87 103.46516 0 3681.2768 -29.576898
2450 20098.852 332.48096 0 3682.2896 35.802574
2500 20763.224 221.86356 0 3682.401 -12.492465
2550 20425.308 278.04709 0 3682.265 -22.360414
2600 21467.742 104.32441 0 3682.2815 -10.062558
2650 20774.17 220.00066 0 3682.3623 5.2193436
2700 18569.233 587.73881 0 3682.6109 22.145192
2750 20654.466 239.78519 0 3682.1961 -6.9106068
2800 20814.792 213.06343 0 3682.1954 -6.9316614
2850 16353.471 956.9648 0 3682.5433 34.229058
2900 19519.089 429.00752 0 3682.189 8.7072031
2950 20171.665 320.18684 0 3682.1309 2.7223515
3000 20470.108 270.26106 0 3681.9457 -8.2674499
3050 20359.511 288.83368 0 3682.0856 -4.69092
3100 19856.099 372.69336 0 3682.0432 9.3653131
3150 20561.401 254.89391 0 3681.794 6.7807193
3200 18974.717 519.59328 0 3682.0462 14.028207
3250 17201.03 816.05668 0 3682.895 30.827229
3300 21032.748 176.57229 0 3682.0304 -8.8776478
3350 17299.203 798.82174 0 3682.0222 -6.5474977
3400 16871.128 870.67484 0 3682.5295 -23.235008
3450 19319.303 462.06051 0 3681.9443 -11.811901
3500 17860.126 705.48294 0 3682.1705 -15.992033
3550 21874.357 36.186306 0 3681.9124 -2.4098493
3600 21393.595 116.22067 0 3681.8199 -10.262929
3650 20544.718 257.71089 0 3681.8306 0.55484185
3700 20330.417 293.63761 0 3682.0404 16.661746
3750 21244.461 141.09081 0 3681.8343 4.9615754
3800 19958.592 355.64853 0 3682.0806 13.979713
3850 21497.423 98.927167 0 3681.8309 -6.621684
3900 21769.359 53.67612 0 3681.9026 -1.926207
3950 19975.772 352.52452 0 3681.8198 9.245817
4000 21113.483 163.03078 0 3681.9446 2.7569744
4050 19709.067 397.27579 0 3682.1202 -3.0811456
4100 21815.578 46.077634 0 3682.0073 -12.520188
4150 21642.428 74.997052 0 3682.0685 -1.1460009
4200 19928.01 360.19492 0 3681.53 8.857095
4250 17863.117 703.82283 0 3681.009 33.346649
4300 20382.848 284.9686 0 3682.1099 -7.0563493
4350 21589.546 83.691599 0 3681.9492 -6.3466935
4400 21561.341 88.259907 0 3681.8167 -0.05858595
4450 19016.303 512.39829 0 3681.7821 43.125503
4500 20065.798 337.40858 0 3681.7083 1.7677159
4550 19263.771 471.03594 0 3681.6644 -23.462523
4600 20845.688 207.74162 0 3682.023 0.16598388
4650 19646.643 407.84353 0 3682.2841 11.884842
4700 20692.329 233.43094 0 3682.1524 -14.265029
4750 17999.182 682.2895 0 3682.1531 -25.09426
4800 20585.117 251.43776 0 3682.2906 10.111397
4850 19368.488 453.98051 0 3682.0618 6.199069
4900 20416.868 279.66263 0 3682.474 7.5050136
4950 21376.045 119.55597 0 3682.2302 -9.6343892
5000 21346.337 124.42913 0 3682.1519 -3.6930357
5050 19787.72 384.70087 0 3682.6542 -5.855159
5100 20440.061 275.27592 0 3681.9528 1.7528745
5150 15625.189 1079.1543 0 3683.3525 19.539205
5200 20308.779 297.80498 0 3682.6014 8.9223119
5250 21044.849 175.43646 0 3682.9113 5.2785373
5300 20543.584 258.744 0 3682.6747 1.2007699
5350 21171.39 154.69163 0 3683.2566 -12.896011
5400 19626.405 409.45045 0 3680.518 16.150799
5450 20550.071 258.26489 0 3683.2766 -21.262685
5500 19104.84 499.01387 0 3683.1539 11.949545
5550 19559.267 422.41448 0 3682.2923 3.8829356
5600 20044.332 342.61709 0 3683.3391 -1.7700503
5650 21953.27 25.016694 0 3683.8951 -22.754979
5700 21639.986 77.352619 0 3684.017 -15.578393
5750 21144.414 159.81932 0 3683.8884 -9.0956708
5800 19267.59 472.68582 0 3683.9509 12.517057
5850 21221.184 146.53726 0 3683.4012 -0.35975116
5900 21141.226 159.83342 0 3683.371 0.79471018
5950 20417.806 280.84037 0 3683.808 -4.380384
6000 15946.467 1025.7528 0 3683.4973 -2.9233738
6050 20307.785 299.10545 0 3683.7362 -7.6865743
6100 18110.389 663.98174 0 3682.3799 4.1591862
6150 19958.364 357.9562 0 3684.3502 0.64161306
6200 18283.091 637.04273 0 3684.2246 1.3409324
6250 17081.956 837.9693 0 3684.962 -6.7113704
6300 21382.883 120.98513 0 3684.7989 -13.987822
6350 19952.702 359.01391 0 3684.4642 6.3550454
6400 20832.557 212.50673 0 3684.5995 -1.5787609
6450 18646.002 577.10671 0 3684.7738 7.7299342
6500 18261.033 641.30218 0 3684.8076 17.386854
6550 18426.877 613.53329 0 3684.6794 -3.3462219
6600 20349.993 293.18762 0 3684.8531 -12.422327
6650 21112.2 166.06059 0 3684.7606 -6.7451773
6700 20046.245 343.52129 0 3684.5621 -4.0057021
6750 20834.1 212.52233 0 3684.8724 -1.5556583
6800 21150.619 159.68754 0 3684.7908 -1.5850612
6850 20008.249 350.12255 0 3684.8308 6.4872768
6900 18654.888 575.51473 0 3684.6627 -17.992304
6950 19708.289 400.17932 0 3684.8942 7.0106327
7000 20437.426 278.17876 0 3684.4164 6.2019137
7050 19604.082 416.96446 0 3684.3114 -3.924055
7100 18301.87 633.03111 0 3683.3428 19.029745
7150 18558.782 591.49191 0 3684.6222 25.690348
7200 16746.788 894.4891 0 3685.6204 9.3897347
7250 19956.035 358.65844 0 3684.6642 2.9307876
7300 21612.74 82.596669 0 3684.7199 -6.0761772
7350 21082.361 170.97104 0 3684.6979 -1.6531911
7400 21447.623 110.03038 0 3684.6342 -9.6680921
7450 21815.262 48.645261 0 3684.5222 -2.4194461
7500 21586.807 86.513539 0 3684.3147 0.80475725
7550 21432.021 112.08344 0 3684.087 3.7213279
7600 18765.76 557.30844 0 3684.9351 25.566982
7650 19237.591 477.51887 0 3683.784 -0.93181342
7700 20058.61 340.75274 0 3683.8544 4.1984966
7750 21689.282 69.4903 0 3684.3707 -8.0484797
7800 21149.046 159.71259 0 3684.5537 7.1881243
7850 19334.412 461.23349 0 3683.6355 14.066324
7900 21263.983 140.83705 0 3684.8343 -14.739146
7950 20871.691 206.2356 0 3684.8508 -11.575259
8000 18916.496 531.93786 0 3684.6872 -20.395653
8050 20703.238 233.97858 0 3684.5183 4.2191304
8100 19544.399 426.74441 0 3684.1442 15.563275
8150 17578.916 755.02603 0 3684.8454 23.23474
8200 18121.828 663.35414 0 3683.6588 -23.277149
8250 19000.859 515.63274 0 3682.4425 8.1499185
8300 16312.856 965.20527 0 3684.0147 69.340264
8350 17908.285 699.50533 0 3684.2195 -13.64631
8400 19971.59 355.22033 0 3683.8187 6.2163041
8450 13617.129 1415.4014 0 3684.9229 -9.1829017
8500 20374.985 288.34097 0 3684.1719 1.0194401
8550 21452.212 108.96717 0 3684.3359 -8.0882838
8600 17196.613 818.7652 0 3684.8674 -2.1874477
8650 21510.389 99.326067 0 3684.3909 -3.5449392
8700 21446.623 109.76972 0 3684.2068 -0.76115037
8750 20700.162 234.50311 0 3684.5301 2.0551713
8800 21686.769 69.759974 0 3684.2215 -3.6322891
8850 20892.916 201.69594 0 3683.8486 0.57163157
8900 18095.714 668.44418 0 3684.3965 19.055292
8950 21325.044 129.56368 0 3683.7377 2.2916549
9000 20739.771 227.15562 0 3683.7842 -6.4759144
9050 20683.885 235.94003 0 3683.2543 1.8163478
9100 21432.386 111.08386 0 3683.1483 -9.5573949
9150 21686.43 69.315468 0 3683.7205 2.1854565
9200 16916.728 864.20897 0 3683.6636 7.2632357
9250 20122.374 329.80422 0 3683.5332 6.2589988
9300 20621.693 246.58967 0 3683.5386 -20.210043
9350 20343.792 292.92921 0 3683.5612 0.47974589
9400 20334.062 294.47957 0 3683.4899 -5.5269222
9450 20971.669 188.26826 0 3683.5464 1.5825497
9500 20948.938 191.99574 0 3683.4855 1.7294775
9550 21557.149 90.697719 0 3683.5559 4.5248095
9600 21121.109 162.83027 0 3683.0151 -3.8673505
9650 21306.551 132.27859 0 3683.3704 -0.05028404
9700 21064.24 172.82072 0 3683.5273 1.7248916
9750 18962.129 523.71798 0 3684.0729 17.93568
9800 21192.894 151.77036 0 3683.9193 -0.2514556
9850 20585.229 252.91402 0 3683.7855 9.2033197
9900 21584.165 86.429361 0 3683.7902 -5.4686156
9950 21190.652 151.98402 0 3683.7593 -3.5815764
10000 20061.072 340.24042 0 3683.7525 -2.2008049
Loop time of 25.7955 on 1 procs for 10000 steps with 81 atoms
Pair time (%) = 0.950715 (3.68559)
Neigh time (%) = 0.339646 (1.31669)
Comm time (%) = 0.113344 (0.439395)
Outpt time (%) = 0.168425 (0.652924)
Other time (%) = 24.2234 (93.9054)
Nlocal: 81 ave 81 max 81 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 60 ave 60 max 60 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 721 ave 721 max 721 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 721
Ave neighs/atom = 8.90123
Neighbor list builds = 989
Dangerous builds = 911

306
examples/rigid/log.rigid.poems2.12Feb07.liberty.4
View File

@ -1,306 +0,0 @@
LAMMPS (12 Feb 2007)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
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 = 1.83868 Mbytes
Step Temp E_pair E_mol TotEng Press
0 196.00047 3632.2347 0 3668.5311 -49.218825
50 12167.633 1505.5478 0 3758.8133 33.574274
100 17556.978 512.66277 0 3763.9549 7.6047451
150 19579.586 138.04942 0 3763.8987 -16.463506
200 19757.51 105.30542 0 3764.1036 7.5942941
250 18218.374 390.10747 0 3763.8804 19.672945
300 19383.039 174.40688 0 3763.8586 10.032093
350 20125.986 36.972611 0 3764.0071 6.0125969
400 18888.816 266.10975 0 3764.0386 8.3046039
450 19307.656 188.2511 0 3763.743 7.8887976
500 16331.197 738.56392 0 3762.8597 13.456852
550 19318.722 186.16172 0 3763.7027 8.2282227
600 19455.268 161.20621 0 3764.0336 7.7732896
650 18487.011 340.03216 0 3763.5528 3.9255991
700 17321.201 556.32471 0 3763.9545 -6.4011523
750 18979.187 249.04389 0 3763.7082 2.1939314
800 19342.456 181.85552 0 3763.7918 12.876517
850 19070.641 232.19342 0 3763.7936 8.2159078
900 19478.873 156.65987 0 3763.8586 7.4568244
950 19912.415 76.437437 0 3763.9216 5.8486682
1000 16003.749 802.39753 0 3766.0548 55.191187
1050 19859.583 86.64176 0 3764.3424 8.7977394
1100 19229.575 203.61488 0 3764.6473 -4.0979799
1150 18821.6 279.15861 0 3764.64 1.5304912
1200 19392.695 173.59744 0 3764.8373 10.841959
1250 16459.624 717.32104 0 3765.3995 40.93
1300 19343.863 182.59043 0 3764.7874 9.4801222
1350 20019.643 57.503573 0 3764.8448 8.041765
1400 18549.582 329.31436 0 3764.4221 13.151345
1450 15163.926 957.47583 0 3765.6103 -7.3048398
1500 19223.688 204.15164 0 3764.0939 6.5539049
1550 18147.996 404.12675 0 3764.8668 13.092195
1600 18615.043 317.42462 0 3764.6548 5.9101585
1650 20120.654 38.887963 0 3764.935 0.38926372
1700 19450.904 162.98318 0 3765.0025 7.9275461
1750 19374.634 177.37922 0 3765.2744 8.7907106
1800 19424.403 167.93984 0 3765.0514 5.6664259
1850 17936.476 442.80024 0 3764.3699 14.101091
1900 19982.598 64.405734 0 3764.8868 3.8454902
1950 16216.207 761.84618 0 3764.8475 19.873084
2000 18584.309 322.14125 0 3763.6799 12.138411
2050 20107.968 41.025323 0 3764.723 5.3931463
2100 20002.381 60.584283 0 3764.7288 0.25773654
2150 16949.202 626.70007 0 3765.4412 12.954412
2200 20010.949 58.809053 0 3764.5403 -1.2239084
2250 18982.71 247.01257 0 3762.3292 8.977934
2300 18401.513 354.84007 0 3762.5277 7.0021344
2350 19390.418 172.96117 0 3763.7793 1.8207539
2400 16084.09 785.7786 0 3764.3137 -12.437816
2450 18871.606 268.52952 0 3763.2713 14.613895
2500 19686.081 117.99211 0 3763.5626 8.3329722
2550 18875.819 267.86112 0 3763.3831 -0.48856518
2600 17010.705 613.30983 0 3763.4405 11.630319
2650 18797.741 282.8114 0 3763.8745 8.1020989
2700 19726.505 110.11368 0 3763.1701 6.5575356
2750 19436.803 164.0424 0 3763.4504 6.8766681
2800 18357.485 362.53565 0 3762.0699 29.446982
2850 19004.145 243.73317 0 3763.0192 8.1423479
2900 20108.185 39.496053 0 3763.234 4.5848354
2950 15919.562 814.90854 0 3762.9756 23.062229
3000 17654.881 493.61172 0 3763.0342 5.545646
3050 18711.769 298.14871 0 3763.2911 7.243461
3100 16038.72 793.07314 0 3763.2064 14.346203
3150 19925.087 73.363563 0 3763.1945 6.1598038
3200 19305.94 187.89701 0 3763.0711 13.363938
3250 19779.251 100.11507 0 3762.9394 -4.2931123
3300 17922.539 444.12789 0 3763.1166 11.814226
3350 18967.646 250.37413 0 3762.9011 10.599374
3400 16940.148 625.60864 0 3762.673 27.487664
3450 19284.152 191.53891 0 3762.6781 7.1971328
3500 19321.512 184.58448 0 3762.6423 7.1507645
3550 19631.049 126.97845 0 3762.358 6.6703895
3600 18494.976 337.74154 0 3762.7371 5.2298746
3650 19117.634 222.45812 0 3762.7607 5.5119957
3700 19400.367 170.05551 0 3762.716 5.1505902
3750 19912.752 75.322358 0 3762.869 4.9003403
3800 18564.109 325.06781 0 3762.8658 14.09429
3850 19846.304 87.655562 0 3762.8971 9.0642301
3900 19476.444 156.1165 0 3762.8653 -2.9763615
3950 19647.738 124.43854 0 3762.9085 6.1008067
4000 18123.616 406.3511 0 3762.5762 12.300492
4050 16574.617 693.99841 0 3763.372 8.1837692
4100 18946.287 254.50552 0 3763.0773 10.419471
4150 18466.555 343.35133 0 3763.0837 1.7173061
4200 19477.739 156.04727 0 3763.0359 9.9334234
4250 19680.9 118.38024 0 3762.9913 6.7698432
4300 18320.329 369.90558 0 3762.5591 2.8725905
4350 18767.214 286.789 0 3762.199 10.607372
4400 16894.629 634.49312 0 3763.1281 11.825821
4450 17915.848 444.62515 0 3762.3748 5.59808
4500 19487.927 154.02671 0 3762.9021 4.5536547
4550 19880.496 81.301302 0 3762.8746 9.5930235
4600 19872.228 82.669863 0 3762.7122 6.7573135
4650 15769.89 843.11924 0 3763.4693 15.845442
4700 19720.045 110.85283 0 3762.7129 6.1293004
4750 19764.607 102.5192 0 3762.6317 8.94455
4800 17562.467 510.78691 0 3763.0956 13.972896
4850 19463.538 158.32481 0 3762.6836 1.0093239
4900 17932.952 441.75053 0 3762.6675 12.701684
4950 19084.979 228.62301 0 3762.8785 11.759924
5000 19472.38 156.9411 0 3762.9375 11.220659
5050 19453.908 160.3778 0 3762.9533 12.301143
5100 19521.287 147.96055 0 3763.0137 12.392696
5150 18128.471 405.81521 0 3762.9394 11.945434
5200 17049.524 605.73212 0 3763.0514 -0.12699639
5250 19645.014 125.0255 0 3762.991 -0.52279382
5300 18281.054 377.45844 0 3762.8388 20.11439
5350 19457.083 159.77948 0 3762.9429 6.3853596
5400 18431.165 349.7041 0 3762.8827 4.871088
5450 19431.127 164.51144 0 3762.8682 -3.2111996
5500 19538.523 144.42775 0 3762.6727 4.5926045
5550 16105.678 780.35525 0 3762.8882 54.598614
5600 20038.616 51.570638 0 3762.4254 4.5474063
5650 19774.413 100.34213 0 3762.2704 0.78153427
5700 19210.59 204.66324 0 3762.18 5.4298437
5750 19146.331 216.47595 0 3762.0928 7.0574791
5800 19058.521 232.88706 0 3762.2428 5.1938614
5850 19195.04 207.81355 0 3762.4506 -3.7719233
5900 18304.113 372.73776 0 3762.3882 -0.65463254
5950 19936.776 70.443763 0 3762.4393 9.3331421
6000 19413.016 167.50961 0 3762.5125 9.6998807
6050 19169.847 212.36264 0 3762.3343 13.97952
6100 19873.513 82.452317 0 3762.7325 7.797884
6150 18911.794 260.42784 0 3762.6119 3.8761488
6200 19153.7 215.69884 0 3762.6802 2.9164092
6250 18802.916 280.37164 0 3762.3932 9.5188585
6300 19385.046 172.8566 0 3762.6799 9.6703687
6350 20042.403 51.159768 0 3762.7159 7.6850802
6400 17671.74 490.05042 0 3762.5948 14.096008
6450 18092.22 412.77197 0 3763.1832 0.82294201
6500 19953.711 67.838094 0 3762.9698 8.1400023
6550 19818.338 92.883562 0 3762.9461 8.055057
6600 19323.833 183.93088 0 3762.4184 5.2727635
6650 18642.816 310.35894 0 3762.7323 19.352453
6700 16246.778 753.95834 0 3762.6209 24.682771
6750 19362.672 176.94037 0 3762.6204 4.5345155
6800 18813.849 278.64468 0 3762.6908 9.7383715
6850 19386.278 172.79274 0 3762.8443 -2.8239186
6900 19206.609 206.02588 0 3762.8054 8.1264361
6950 18068.847 416.85422 0 3762.9369 2.3525156
7000 18369.805 360.43314 0 3762.249 13.728295
7050 18426.189 350.61688 0 3762.8741 14.517035
7100 17656.982 492.79834 0 3762.6098 11.126444
7150 18141.722 402.98387 0 3762.562 14.510638
7200 18621.905 313.92925 0 3762.4301 1.4234708
7250 18374.083 360.03493 0 3762.6429 -3.8128826
7300 18040.277 421.82567 0 3762.6177 2.7635663
7350 19146.198 217.01003 0 3762.6023 11.264741
7400 18826.989 276.1892 0 3762.6686 12.390664
7450 16067.243 787.1796 0 3762.5949 14.180712
7500 18419.546 351.11771 0 3762.1448 12.922148
7550 18446.346 346.8971 0 3762.8871 15.016254
7600 18944.672 254.13521 0 3762.4077 10.235074
7650 18736.984 292.8881 0 3762.7 -8.4530721
7700 18741.654 291.39068 0 3762.0673 3.2144304
7750 18220.361 388.04072 0 3762.1816 15.132777
7800 19348.223 178.96147 0 3761.9658 4.4894323
7850 19401.949 169.04328 0 3761.9968 4.9313127
7900 18577.957 321.63399 0 3761.9965 10.7403
7950 17739.892 476.69976 0 3761.865 15.786414
8000 17512.557 519.37266 0 3762.4387 8.4816398
8050 19168.123 212.38445 0 3762.0369 1.9313036
8100 17916.044 443.46573 0 3761.2517 1.5416538
8150 18601.23 316.95165 0 3761.6238 10.656943
8200 17791.805 467.15931 0 3761.9381 2.2002016
8250 18321.607 369.09405 0 3761.9843 5.815164
8300 17334.957 552.06316 0 3762.2404 9.7175531
8350 17207.467 575.31923 0 3761.8872 5.6916957
8400 18225.217 387.22593 0 3762.2662 13.185636
8450 19004.047 243.03694 0 3762.3048 13.419491
8500 18952.876 252.61597 0 3762.4078 2.0529233
8550 19127.437 220.08856 0 3762.2066 -3.9009433
8600 19542.154 143.35104 0 3762.2684 9.2825505
8650 19294.525 189.17898 0 3762.2392 15.659987
8700 18832.532 274.05387 0 3761.5598 6.8307945
8750 18591.931 318.93488 0 3761.885 13.12084
8800 18576.38 322.04174 0 3762.1121 1.3006059
8850 19922.086 72.972833 0 3762.248 7.446691
8900 18892.839 263.55803 0 3762.2319 12.740409
8950 16486.736 708.70288 0 3761.8022 33.657286
9000 18628.335 312.81773 0 3762.5094 11.180187
9050 19286.823 190.4938 0 3762.1278 3.690949
9100 18973.378 247.96414 0 3761.5526 12.70188
9150 17256.927 566.17648 0 3761.9038 13.94458
9200 18507.288 334.66416 0 3761.9398 8.7036327
9250 18961.534 250.42427 0 3761.8194 2.441337
9300 19206.115 205.203 0 3761.8911 7.4983103
9350 19401.191 168.92055 0 3761.7336 4.4522417
9400 18069.392 415.54646 0 3761.7301 9.7253906
9450 18828.428 274.89551 0 3761.6415 12.99464
9500 18295.323 373.66825 0 3761.691 4.0189559
9550 17709.338 482.22946 0 3761.7365 -0.16619916
9600 19512.39 148.31281 0 3761.7184 6.188777
9650 19742.351 105.74048 0 3761.7315 8.5310602
9700 19892.658 77.898869 0 3761.7245 9.4480252
9750 19035.044 236.65131 0 3761.6595 8.943227
9800 17443.415 531.71826 0 3761.9802 20.612812
9850 19545.912 141.99994 0 3761.6133 5.9979112
9900 19542.173 142.22929 0 3761.1503 7.6623836
9950 19794.356 96.034607 0 3761.6561 2.4218049
10000 19058.563 232.34496 0 3761.7085 -1.2298428
Loop time of 17.5626 on 4 procs for 10000 steps with 81 atoms
Pair time (%) = 0.0920856 (0.524327)
Neigh time (%) = 0.0420477 (0.239415)
Comm time (%) = 1.61713 (9.20777)
Outpt time (%) = 0.101673 (0.578917)
Other time (%) = 15.7097 (89.4496)
Nlocal: 20.25 ave 42 max 0 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Nghost: 20.5 ave 37 max 9 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Neighs: 164.25 ave 401 max 0 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Total # of neighbors = 657
Ave neighs/atom = 8.11111
Neighbor list builds = 991
Dangerous builds = 930

306
examples/rigid/log.rigid.poems2.12Feb07.linux.1
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@ -1,306 +0,0 @@
LAMMPS (12 Feb 2007)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
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 = 1.85083 Mbytes
Step Temp E_pair E_mol TotEng Press
0 196.00047 3632.2347 0 3668.5311 -49.218825
50 12167.633 1505.5478 0 3758.8133 33.574274
100 17556.978 512.66277 0 3763.9549 7.6047451
150 19579.586 138.04942 0 3763.8987 -16.463506
200 19757.51 105.30542 0 3764.1036 7.5942941
250 18218.374 390.10747 0 3763.8804 19.672945
300 19383.039 174.40688 0 3763.8586 10.032093
350 20125.986 36.972611 0 3764.0071 6.0125969
400 18888.816 266.10975 0 3764.0386 8.3046039
450 19307.656 188.2511 0 3763.743 7.8887976
500 16331.197 738.56392 0 3762.8597 13.456852
550 19318.722 186.16172 0 3763.7027 8.2282227
600 19455.268 161.20621 0 3764.0336 7.7732896
650 18487.011 340.03216 0 3763.5528 3.9255991
700 17321.201 556.32471 0 3763.9545 -6.4011523
750 18979.187 249.04389 0 3763.7082 2.1939314
800 19342.456 181.85552 0 3763.7918 12.876517
850 19070.641 232.19342 0 3763.7936 8.2159078
900 19478.873 156.65987 0 3763.8586 7.4568244
950 19912.415 76.437437 0 3763.9216 5.8486682
1000 16003.749 802.39753 0 3766.0548 55.191187
1050 19859.583 86.64176 0 3764.3424 8.7977394
1100 19229.575 203.61488 0 3764.6473 -4.0979799
1150 18821.6 279.15861 0 3764.64 1.5304912
1200 19392.695 173.59744 0 3764.8373 10.841959
1250 16459.624 717.32104 0 3765.3995 40.93
1300 19343.863 182.59043 0 3764.7874 9.4801222
1350 20019.643 57.503573 0 3764.8448 8.041765
1400 18549.582 329.31436 0 3764.4221 13.151345
1450 15163.926 957.47582 0 3765.6103 -7.3048396
1500 19223.689 204.15156 0 3764.0939 6.5539037
1550 18147.996 404.12674 0 3764.8668 13.092194
1600 18615.043 317.42458 0 3764.6548 5.910153
1650 20120.654 38.887996 0 3764.935 0.38927147
1700 19450.903 162.98348 0 3765.0025 7.9275404
1750 19374.636 177.37893 0 3765.2744 8.7907115
1800 19424.402 167.93995 0 3765.0514 5.6664351
1850 17936.625 442.77274 0 3764.3699 14.100683
1900 19982.599 64.405428 0 3764.8868 3.845421
1950 16216.44 761.80238 0 3764.8469 19.871956
2000 18584.234 322.15493 0 3763.6798 12.138618
2050 20107.969 41.025039 0 3764.723 5.3930845
2100 20002.411 60.57861 0 3764.7288 0.25780472
2150 16948.844 626.76647 0 3765.4413 12.955652
2200 20010.946 58.809564 0 3764.5403 -1.2241058
2250 18982.703 247.01388 0 3762.3292 8.9782072
2300 18401.642 354.81637 0 3762.5279 7.00181
2350 19390.361 172.97181 0 3763.7793 1.8204299
2400 16086.125 785.40108 0 3764.3132 -12.43145
2450 18872.351 268.39211 0 3763.2718 14.60112
2500 19684.688 118.25055 0 3763.5632 8.3452435
2550 18878.925 267.2853 0 3763.3825 -0.4776104
2600 17005.407 614.29162 0 3763.441 11.648752
2650 18827.389 277.31059 0 3763.8641 8.0646841
2700 19715.461 112.12451 0 3763.1358 6.611501
2750 19319.449 185.79269 0 3763.4684 7.0469373
2800 18120.942 406.44184 0 3762.1719 34.017493
2850 19401.627 170.17075 0 3763.0647 6.6156058
2900 20106.157 39.874788 0 3763.2371 3.9356029
2950 16814.814 649.4335 0 3763.288 19.866275
3000 16200.577 761.45184 0 3761.5588 24.481639
3050 18396.676 356.11264 0 3762.9044 11.886991
3100 17582.958 506.67523 0 3762.7786 -8.4420604
3150 18362.109 362.43838 0 3762.8289 20.848538
3200 17008.785 613.88943 0 3763.6645 17.861071
3250 19614.194 130.81389 0 3763.072 6.9309301
3300 18995.955 245.31261 0 3763.0821 -3.0930246
3350 18215.815 389.87474 0 3763.1737 7.0361215
3400 18068.71 417.08655 0 3763.144 9.961669
3450 19352.914 179.0126 0 3762.8855 13.271847
3500 18738.818 292.55665 0 3762.7082 8.7182296
3550 19469.912 157.36508 0 3762.9044 9.8811856
3600 18431.706 349.41269 0 3762.6916 9.8972814
3650 18819.962 277.76095 0 3762.9392 10.602006
3700 19813.675 93.945731 0 3763.1449 5.3804999
3750 18075.078 415.77801 0 3763.0146 6.6699336
3800 19422.14 166.53886 0 3763.2315 6.5699764
3850 18013.209 427.44475 0 3763.2243 0.47129141
3900 19193.889 208.87526 0 3763.2991 2.2645534
3950 16568.188 695.64549 0 3763.8284 18.270973
4000 17993.623 430.51008 0 3762.6626 10.839154
4050 19625.511 128.63837 0 3762.9922 5.7391383
4100 19069.298 231.35736 0 3762.7088 6.8146572
4150 18033.877 424.02231 0 3763.6292 2.7693427
4200 19950.626 68.482279 0 3763.0426 9.5547662
4250 18786.19 284.10677 0 3763.0309 14.089513
4300 19526.067 146.81821 0 3762.7565 3.5904061
4350 16343.335 736.72783 0 3763.2714 39.410491
4400 18759.668 288.81939 0 3762.8319 12.975401
4450 18633.251 312.20135 0 3762.8033 10.199762
4500 18079.31 414.80535 0 3762.8256 7.6705765
4550 18288.498 376.11039 0 3762.8693 12.253044
4600 18315.887 371.16083 0 3762.9918 5.0242317
4650 18901.901 262.59396 0 3762.9459 2.7293238
4700 19311.704 186.85051 0 3763.092 4.5926473
4750 19426.54 165.69302 0 3763.2005 -1.3847183
4800 18347.933 365.43611 0 3763.2015 7.9755076
4850 19952.067 68.477491 0 3763.3047 8.9724781
4900 19224.549 203.14962 0 3763.2513 8.0785966
4950 19857.322 85.89601 0 3763.1779 6.7304247
5000 19592.925 134.86246 0 3763.182 7.6141401
5050 19472.16 157.37877 0 3763.3343 9.2091755
5100 19814.831 93.787624 0 3763.2008 11.330509
5150 18211.407 390.82193 0 3763.3047 13.81542
5200 18828.994 276.3271 0 3763.1778 11.34844
5250 20121.332 37.261735 0 3763.4344 6.7338019
5300 17755.337 475.75071 0 3763.7761 14.167064
5350 20033.05 53.761483 0 3763.5855 5.3749453
5400 19332.059 183.54479 0 3763.5557 7.4674926
5450 19964.421 66.56191 0 3763.677 6.1167743
5500 19838.257 89.969443 0 3763.7207 3.3591427
5550 19202.804 207.40212 0 3763.4769 16.351587
5600 19855.825 86.760789 0 3763.7654 8.0189044
5650 19060.478 234.22396 0 3763.9421 6.1572157
5700 20124.587 37.161564 0 3763.937 7.5696918
5750 19304.489 189.01672 0 3763.9221 5.7150756
5800 18516.206 335.07659 0 3764.0036 3.5806069
5850 18093.127 413.01533 0 3763.5945 7.8629917
5900 17303.637 559.08088 0 3763.458 2.7072615
5950 19818.733 93.796285 0 3763.932 8.9805512
6000 18162.182 400.57864 0 3763.9457 13.263234
6050 18439.177 349.30792 0 3763.9703 6.4756606
6100 18899.456 263.84185 0 3763.741 10.898781
6150 17317.004 556.71789 0 3763.5704 11.704857
6200 18991.81 246.89696 0 3763.8989 3.2286864
6250 19868.798 84.388048 0 3763.795 5.9103508
6300 18989.135 247.26992 0 3763.7763 18.604444
6350 15978.578 804.89 0 3763.8858 12.169877
6400 18967.47 251.22915 0 3763.7236 6.8735765
6450 19294.369 190.87058 0 3763.9019 -1.5455507
6500 19826.451 92.014872 0 3763.5798 7.2553554
6550 17480.845 526.28717 0 3763.4807 5.5505499
6600 17806.087 465.8384 0 3763.262 26.481782
6650 17942.192 439.48981 0 3762.118 11.35985
6700 16468.094 712.95472 0 3762.6018 14.069858
6750 19305.119 188.34815 0 3763.3703 7.052136
6800 19988.201 62.004452 0 3763.5231 6.5334797
6850 20193.079 24.117041 0 3763.5761 3.4827497
6900 20011.596 57.729546 0 3763.5806 3.4890214
6950 18419.577 352.48285 0 3763.5157 0.47973678
7000 19178.531 212.01179 0 3763.5917 8.9488095
7050 18754.875 289.8693 0 3762.9942 15.271004
7100 19179.381 211.26035 0 3762.9975 7.7065367
7150 18221.392 388.75188 0 3763.0837 -5.5870803
7200 19508.765 150.73861 0 3763.4729 0.86924221
7250 16779.268 656.19712 0 3763.4689 9.6537749
7300 19184.405 210.6069 0 3763.2744 1.3949529
7350 17914.948 445.90458 0 3763.4876 8.5105795
7400 14040.559 1164.2709 0 3764.3744 -18.733631
7450 17680.643 489.04226 0 3763.2354 7.7465943
7500 15575.048 879.11471 0 3763.3829 11.73774
7550 16738.339 663.36831 0 3763.0607 19.071113
7600 18927.126 258.2804 0 3763.3038 8.7575196
7650 17033.929 610.18818 0 3764.6195 20.103976
7700 17800.589 463.84003 0 3760.2454 -0.58664763
7750 18337.643 367.47891 0 3763.3388 3.0646364
7800 20102.521 40.465427 0 3763.1544 5.890522
7850 18854.307 271.72975 0 3763.2681 21.40115
7900 18769.869 287.08151 0 3762.9832 13.873827
7950 19530.556 146.69214 0 3763.4618 6.9677806
8000 17967.757 436.48149 0 3763.8439 -8.7686357
8050 19995.451 60.489084 0 3763.3503 -0.16755556
8100 17668.554 491.39156 0 3763.346 5.2085894
8150 17041.937 607.0112 0 3762.9255 32.910713
8200 19634.282 127.02828 0 3763.0064 10.156284
8250 19464.43 158.26891 0 3762.7929 4.6092644
8300 18262.088 380.75171 0 3762.6199 -2.8465886
8350 19154.678 214.95549 0 3762.118 7.9411401
8400 18631.904 312.04844 0 3762.4011 8.5365875
8450 17326.79 552.9849 0 3761.6497 5.5282777
8500 18262.986 380.59746 0 3762.6319 4.5328455
8550 16355.636 733.37813 0 3762.1995 -0.081116392
8600 17652.805 494.50385 0 3763.5419 7.9532832
8650 16589.75 690.94159 0 3763.1175 5.9389722
8700 18767.632 287.52175 0 3763.0091 8.5339813
8750 19530.676 145.40209 0 3762.194 13.700999
8800 16209.935 760.89243 0 3762.7323 -3.8758006
8850 19909.854 75.790768 0 3762.8008 7.227949
8900 19162.868 213.40033 0 3762.0797 13.090144
8950 17996.377 429.38719 0 3762.0496 11.184399
9000 17366.686 545.41384 0 3761.4667 1.1354401
9050 16976.454 618.54424 0 3762.332 2.9998911
9100 19419.965 166.18943 0 3762.4793 9.2514375
9150 17900.022 448.30981 0 3763.1287 1.7569818
9200 18662.637 306.89813 0 3762.942 9.9910386
9250 19806.478 95.487105 0 3763.3534 1.7132635
9300 19065.731 233.31844 0 3764.0093 5.8910882
9350 15347.66 921.21669 0 3763.3759 8.8446349
9400 18056.449 416.32084 0 3760.1078 19.958532
9450 19104.743 225.75045 0 3763.6658 6.8595588
9500 18193.488 394.55096 0 3763.7154 5.7859475
9550 17005.07 614.383 0 3763.4701 26.389911
9600 18956.557 253.26137 0 3763.7349 9.313651
9650 18278.345 379.38464 0 3764.2634 -5.9106259
9700 19791.354 98.864736 0 3763.9303 7.4991305
9750 19840.264 89.82519 0 3763.9482 3.3775783
9800 19120.304 222.91513 0 3763.7122 -2.4237742
9850 15643.719 866.53246 0 3763.5175 4.7456523
9900 16998.456 616.53609 0 3764.3983 -1.5467682
9950 19670.981 121.07532 0 3763.8496 8.7750881
10000 16544.589 699.98952 0 3763.8022 -7.723777
Loop time of 26.9527 on 1 procs for 10000 steps with 81 atoms
Pair time (%) = 0.688746 (2.55539)
Neigh time (%) = 0.27122 (1.00628)
Comm time (%) = 0.133495 (0.495294)
Outpt time (%) = 0.140981 (0.523068)
Other time (%) = 25.7183 (95.42)
Nlocal: 81 ave 81 max 81 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 71 ave 71 max 71 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 528 ave 528 max 528 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 528
Ave neighs/atom = 6.51852
Neighbor list builds = 993
Dangerous builds = 946