ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@967 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2007-10-05 17:53:44 +00:00
parent befd8fee68
commit 133fbb4d92
87 changed files with 5902 additions and 5817 deletions
Download Patch File Download Diff File Expand all files Collapse all files

56
examples/rigid/log.rigid.22Jun07.linux.1 → examples/rigid/log.rigid.5Oct07.linux.1
View File

@ -1,4 +1,4 @@
LAMMPS (22 June 2007)
LAMMPS (5 Oct 2007)
# Simple rigid body system
units lj
@ -82,7 +82,7 @@ dump 1 all atom 50 dump.rigid
timestep 0.0001
thermo 50
run 10000
Memory usage per processor = 1.50411 Mbytes
Memory usage per processor = 1.43563 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
@ -136,8 +136,8 @@ Step Temp E_pair E_mol TotEng Press
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
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
@ -145,21 +145,21 @@ Step Temp E_pair E_mol TotEng Press
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
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
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 7.8460621 0 5269.4737 12.389816
3550 16713.405 7.846062 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
3650 16738.808 -0.13663195 0 5269.4882 12.027009
3700 16738.602 -0.070934367 0 5269.4889 12.025288
3750 16737.731 0.20706556 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
@ -202,7 +202,7 @@ Step Temp E_pair E_mol TotEng Press
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
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
@ -253,10 +253,10 @@ Step Temp E_pair E_mol TotEng Press
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
8450 16738.473 -0.0003969066 0 5269.5189 12.011706
8500 16738.481 -0.0034646801 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
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
@ -274,24 +274,24 @@ Step Temp E_pair E_mol TotEng Press
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
9500 16738.481 -0.00037652441 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
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 0.13550067 0 5269.5101 11.407245
9800 16738.512 -0.011620329 0 5269.5201 11.394973
9850 16738.489 -0.00067270563 0 5269.5237 11.395098
9900 16738.489 -0.00024984585 0 5269.5242 11.395084
9950 16738.49 0 0 5269.5245 11.395076
10000 16738.49 0 0 5269.5246 11.395075
Loop time of 0.92229 on 1 procs for 10000 steps with 81 atoms
Loop time of 0.238152 on 1 procs for 10000 steps with 81 atoms
Pair time (%) = 0.079705 (8.64208)
Neigh time (%) = 0.123638 (13.4055)
Comm time (%) = 0.108608 (11.7759)
Outpt time (%) = 0.176786 (19.1682)
Other time (%) = 0.433553 (47.0083)
Pair time (%) = 0.0150669 (6.32658)
Neigh time (%) = 0.0412273 (17.3114)
Comm time (%) = 0.0171158 (7.18694)
Outpt time (%) = 0.0322838 (13.556)
Other time (%) = 0.132458 (55.6191)
Nlocal: 81 ave 81 max 81 min
Histogram: 1 0 0 0 0 0 0 0 0 0

56
examples/rigid/log.rigid.22Jun07.liberty.4 → examples/rigid/log.rigid.5Oct07.linux.4
View File

@ -1,4 +1,4 @@
LAMMPS (22 June 2007)
LAMMPS (5 Oct 2007)
# Simple rigid body system
units lj
@ -82,7 +82,7 @@ dump 1 all atom 50 dump.rigid
timestep 0.0001
thermo 50
run 10000
Memory usage per processor = 1.41797 Mbytes
Memory usage per processor = 1.24703 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
@ -136,7 +136,7 @@ Step Temp E_pair E_mol TotEng Press
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
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
@ -149,17 +149,17 @@ Step Temp E_pair E_mol TotEng Press
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
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 7.8460621 0 5269.4737 12.389816
3550 16713.405 7.846062 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
3650 16738.808 -0.13663195 0 5269.4882 12.027009
3700 16738.602 -0.070934366 0 5269.4889 12.025288
3750 16737.731 0.20706556 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
@ -202,7 +202,7 @@ Step Temp E_pair E_mol TotEng Press
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
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
@ -253,10 +253,10 @@ Step Temp E_pair E_mol TotEng Press
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
8450 16738.473 -0.00039690659 0 5269.5189 12.011706
8500 16738.481 -0.0034646801 0 5269.5182 12.011643
8550 16738.483 -0.0045307409 0 5269.5178 12.01162
8600 16738.474 -0.00076532815 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
@ -274,24 +274,24 @@ Step Temp E_pair E_mol TotEng Press
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
9500 16738.481 -0.00037652443 0 5269.5216 12.011692
9550 16738.493 -0.0053156163 0 5269.5203 12.011611
9600 16738.549 -0.026814373 0 5269.5163 12.011415
9650 16738.765 -0.10191524 0 5269.5092 12.011013
9700 16735.041 1.0589901 0 5269.4979 12.062708
9750 16738.013 0.13550062 0 5269.5101 11.407245
9800 16738.512 -0.011620328 0 5269.5201 11.394973
9850 16738.489 -0.00067270547 0 5269.5237 11.395098
9900 16738.489 -0.00024984583 0 5269.5242 11.395084
9950 16738.49 0 0 5269.5245 11.395076
10000 16738.49 0 0 5269.5246 11.395075
Loop time of 1.84118 on 4 procs for 10000 steps with 81 atoms
Loop time of 3.81069 on 4 procs for 10000 steps with 81 atoms
Pair time (%) = 0.0128225 (0.696429)
Neigh time (%) = 0.0221436 (1.20268)
Comm time (%) = 1.1992 (65.1324)
Outpt time (%) = 0.0962372 (5.22693)
Other time (%) = 0.510773 (27.7416)
Pair time (%) = 0.0082444 (0.216349)
Neigh time (%) = 0.016715 (0.438635)
Comm time (%) = 2.8372 (74.4536)
Outpt time (%) = 0.140581 (3.68912)
Other time (%) = 0.807955 (21.2023)
Nlocal: 20.25 ave 38 max 3 min
Histogram: 1 0 1 0 0 0 1 0 0 1

306
examples/rigid/log.rigid.poems.22Jun07.liberty.4
View File

@ -1,306 +0,0 @@
LAMMPS (22 June 2007)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
orthogonal box = (-12 -12 -12) to (12 12 12)
1 by 2 by 2 processor grid
81 atoms
velocity all create 100.0 4928459
# unconnected bodies
#group clump1 id <> 1 9
#group clump2 id <> 10 18
#group clump3 id <> 19 27
#group clump4 id <> 28 36
#group clump5 id <> 37 45
#group clump6 id <> 46 54
#group clump7 id <> 55 63
#group clump8 id <> 64 72
#group clump9 id <> 73 81
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 1 chain of connected bodies
group clump1 id <> 1 9
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 = 1.49443 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 16.3618 on 4 procs for 10000 steps with 81 atoms
Pair time (%) = 0.125099 (0.764576)
Neigh time (%) = 0.0542815 (0.331757)
Comm time (%) = 1.68193 (10.2796)
Outpt time (%) = 0.102797 (0.628274)
Other time (%) = 14.3977 (87.9958)
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

306
examples/rigid/log.rigid.poems.22Jun07.linux.1
View File

@ -1,306 +0,0 @@
LAMMPS (22 June 2007)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
orthogonal box = (-12 -12 -12) to (12 12 12)
1 by 1 by 1 processor grid
81 atoms
velocity all create 100.0 4928459
# unconnected bodies
#group clump1 id <> 1 9
#group clump2 id <> 10 18
#group clump3 id <> 19 27
#group clump4 id <> 28 36
#group clump5 id <> 37 45
#group clump6 id <> 46 54
#group clump7 id <> 55 63
#group clump8 id <> 64 72
#group clump9 id <> 73 81
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 1 chain of connected bodies
group clump1 id <> 1 9
9 atoms in group clump1
group clump2 id <> 9 18
10 atoms in group clump2
group clump3 id <> 18 27
10 atoms in group clump3
group clump4 id <> 27 36
10 atoms in group clump4
group clump5 id <> 36 45
10 atoms in group clump5
group clump6 id <> 45 54
10 atoms in group clump6
group clump7 id <> 54 63
10 atoms in group clump7
group clump8 id <> 63 72
10 atoms in group clump8
group clump9 id <> 72 81
10 atoms in group clump9
fix 1 all poems group clump1 clump2 clump3 clump4 clump5 clump6 clump7 clump8 clump9
1 clusters, 9 bodies, 8 joints, 81 atoms
# 2 chains of connected bodies
#group clump1 id <> 1 9
#group clump2 id <> 9 18
#group clump3 id <> 18 27
#group clump4 id <> 27 36
#group clump5 id <> 37 45
#group clump6 id <> 45 54
#group clump7 id <> 54 63
#group clump8 id <> 63 72
#group clump9 id <> 72 81
#fix 1 all poems group clump1 clump2 clump3 clump4
#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
neigh_modify exclude group clump1 clump1
neigh_modify exclude group clump2 clump2
neigh_modify exclude group clump3 clump3
neigh_modify exclude group clump4 clump4
neigh_modify exclude group clump5 clump5
neigh_modify exclude group clump6 clump6
neigh_modify exclude group clump7 clump7
neigh_modify exclude group clump8 clump8
neigh_modify exclude group clump9 clump9
thermo 100
dump 1 all atom 50 dump.rigid
timestep 0.0001
thermo 50
run 10000
Memory usage per processor = 1.58102 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 26.3326 on 1 procs for 10000 steps with 81 atoms
Pair time (%) = 0.951727 (3.61425)
Neigh time (%) = 0.339969 (1.29106)
Comm time (%) = 0.117033 (0.444442)
Outpt time (%) = 0.166224 (0.631248)
Other time (%) = 24.7576 (94.019)
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.poems.5Oct07.linux.1 Normal file
View File

@ -0,0 +1,306 @@
LAMMPS (5 Oct 2007)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
orthogonal box = (-12 -12 -12) to (12 12 12)
1 by 1 by 1 processor grid
81 atoms
velocity all create 100.0 4928459
# unconnected bodies
#group clump1 id <> 1 9
#group clump2 id <> 10 18
#group clump3 id <> 19 27
#group clump4 id <> 28 36
#group clump5 id <> 37 45
#group clump6 id <> 46 54
#group clump7 id <> 55 63
#group clump8 id <> 64 72
#group clump9 id <> 73 81
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 1 chain of connected bodies
group clump1 id <> 1 9
9 atoms in group clump1
group clump2 id <> 9 18
10 atoms in group clump2
group clump3 id <> 18 27
10 atoms in group clump3
group clump4 id <> 27 36
10 atoms in group clump4
group clump5 id <> 36 45
10 atoms in group clump5
group clump6 id <> 45 54
10 atoms in group clump6
group clump7 id <> 54 63
10 atoms in group clump7
group clump8 id <> 63 72
10 atoms in group clump8
group clump9 id <> 72 81
10 atoms in group clump9
fix 1 all poems group clump1 clump2 clump3 clump4 clump5 clump6 clump7 clump8 clump9
1 clusters, 9 bodies, 8 joints, 81 atoms
# 2 chains of connected bodies
#group clump1 id <> 1 9
#group clump2 id <> 9 18
#group clump3 id <> 18 27
#group clump4 id <> 27 36
#group clump5 id <> 37 45
#group clump6 id <> 45 54
#group clump7 id <> 54 63
#group clump8 id <> 63 72
#group clump9 id <> 72 81
#fix 1 all poems group clump1 clump2 clump3 clump4
#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
neigh_modify exclude group clump1 clump1
neigh_modify exclude group clump2 clump2
neigh_modify exclude group clump3 clump3
neigh_modify exclude group clump4 clump4
neigh_modify exclude group clump5 clump5
neigh_modify exclude group clump6 clump6
neigh_modify exclude group clump7 clump7
neigh_modify exclude group clump8 clump8
neigh_modify exclude group clump9 clump9
thermo 100
dump 1 all atom 50 dump.rigid
timestep 0.0001
thermo 50
run 10000
Memory usage per processor = 1.51254 Mbytes
Step Temp E_pair E_mol TotEng Press
0 217.7783 3430.3907 0 3466.6871 -2.7403788
50 13679.637 1404.2468 0 3684.1863 12.446066
100 16777.225 888.87665 0 3685.0808 -31.828677
150 19595.365 418.45042 0 3684.3446 40.709078
200 18524.188 596.47273 0 3683.8375 -0.8159371
250 21015.789 180.96521 0 3683.5967 -10.042469
300 20785.513 219.25314 0 3683.5053 2.6452719
350 21072.46 171.2554 0 3683.3321 7.0609024
400 19956.414 356.36381 0 3682.4328 19.320259
450 20724.42 227.73284 0 3681.8028 8.1259249
500 20152.578 322.71466 0 3681.4777 5.4929878
550 20017.022 345.29701 0 3681.4673 5.4661666
600 17897.743 698.72196 0 3681.6791 3.2854742
650 17297.758 796.60256 0 3679.5623 15.191113
700 18581.934 584.29715 0 3681.2861 5.1588289
750 21774.158 52.821062 0 3681.8474 -10.775664
800 21604.055 81.188546 0 3681.8644 -3.2045743
850 17821.483 711.53827 0 3681.7854 7.4384277
900 21033.292 175.98127 0 3681.5299 -16.345167
950 20968.166 186.59847 0 3681.2929 -2.330456
1000 20490.66 266.19375 0 3681.3037 11.787983
1050 20222.396 310.94072 0 3681.34 -8.3459539
1100 21321.687 127.61533 0 3681.2299 -1.2184717
1150 20849.582 206.01695 0 3680.9472 -0.86699149
1200 21815.003 45.317414 0 3681.1512 1.5988314
1250 18655.437 572.41453 0 3681.654 10.064078
1300 20780.781 217.36507 0 3680.8286 6.0538616
1350 20558.971 254.36482 0 3680.8601 -3.6773953
1400 21485.029 99.812921 0 3680.6511 -16.185473
1450 21771.107 52.15961 0 3680.6775 -2.4756673
1500 21520.948 93.503926 0 3680.3286 2.1023577
1550 21351.418 121.68137 0 3680.2511 5.5159947
1600 20778.805 216.92177 0 3680.0559 15.089188
1650 21477.638 100.21836 0 3679.8247 -1.1045742
1700 18501.339 596.47916 0 3680.0357 -15.679679
1750 18563.642 587.34789 0 3681.2882 33.53221
1800 19110.185 494.8234 0 3679.8543 18.024047
1850 21364.191 119.23543 0 3679.9339 2.5291097
1900 20146.627 322.14858 0 3679.9197 5.7313185
1950 20692.672 231.25332 0 3680.0319 4.2977747
2000 20943.904 189.11229 0 3679.7629 -22.645118
2050 19668.058 401.8298 0 3679.8394 3.6251799
2100 20280.442 299.76157 0 3679.8353 7.4807895
2150 19181.854 483.52299 0 3680.4987 22.620535
2200 21300.162 130.70525 0 3680.7322 4.7102567
2250 20486.948 266.63856 0 3681.1299 -8.645617
2300 18653.145 572.24428 0 3681.1018 -5.2637694
2350 21513.521 95.615166 0 3681.2021 -9.3621252
2400 21466.273 103.56429 0 3681.2765 -29.561439
2450 20100.086 332.27439 0 3682.2887 35.745178
2500 20764.384 221.6694 0 3682.4001 -12.469215
2550 20435.636 276.32104 0 3682.2603 -22.41345
2600 21466.443 104.54014 0 3682.2807 -10.078462
2650 20813.884 213.38106 0 3682.3617 5.1419485
2700 18565.501 588.40046 0 3682.6507 22.275657
2750 20769.76 220.59385 0 3682.2204 -7.9304099
2800 21014.35 179.80288 0 3682.1946 -7.0714386
2850 16780.444 885.71086 0 3682.4515 33.327109
2900 19301.711 465.19486 0 3682.1466 7.9488604
2950 20512.279 263.32376 0 3682.037 2.2691755
3000 20616.386 246.10536 0 3682.1698 -0.87560484
3050 18546.175 591.46309 0 3682.4922 -3.563201
3100 18589.568 584.13363 0 3682.395 -1.4433707
3150 20313.633 296.70715 0 3682.3127 5.0252684
3200 19324.457 461.67431 0 3682.4171 -0.29955759
3250 21515.748 96.273451 0 3682.2314 0.46353372
3300 20101.661 331.90071 0 3682.1776 4.3088543
3350 18503.393 597.99615 0 3681.8949 1.5805082
3400 19244.218 474.12808 0 3681.4977 9.9736162
3450 20440.714 275.18246 0 3681.9682 7.5888252
3500 19184.658 485.02691 0 3682.4699 1.080181
3550 20811.39 213.54898 0 3682.1141 -8.7881254
3600 18282.078 635.00903 0 3682.022 -13.693383
3650 17410.555 780.2866 0 3682.0458 -3.1631566
3700 15750.477 1057.3064 0 3682.3859 45.727704
3750 19562.836 421.07779 0 3681.5505 0.00056675794
3800 18898.305 530.58368 0 3680.3011 -15.039302
3850 20669.98 235.8331 0 3680.8298 -16.034069
3900 19680.004 401.17798 0 3681.1787 6.3384156
3950 18711.084 562.3823 0 3680.8962 0.68109414
4000 21192.725 149.74067 0 3681.8615 -3.6868572
4050 17818.626 712.22624 0 3681.9972 -23.806685
4100 16574.851 919.48098 0 3681.9562 -3.3600075
4150 21214.106 146.18774 0 3681.8721 2.7822122
4200 19709.923 397.26964 0 3682.2568 23.638764
4250 20988.614 184.16183 0 3682.2641 5.6467392
4300 21077.245 169.45414 0 3682.3284 -3.2759267
4350 18277.342 636.18259 0 3682.4062 1.1352386
4400 18488.177 600.07191 0 3681.4347 2.5369004
4450 19815.536 379.47225 0 3682.0615 -7.589101
4500 20535.901 259.16275 0 3681.8129 -1.1505361
4550 19480.188 435.47431 0 3682.1723 10.418166
4600 20163.968 321.1522 0 3681.8135 3.5491588
4650 21245.344 140.74399 0 3681.6346 -9.0022793
4700 19839.13 375.18705 0 3681.7087 6.9271776
4750 18390.547 616.78565 0 3681.8769 1.2873012
4800 19461.935 438.17504 0 3681.8308 -0.24779292
4850 18580.433 583.20736 0 3679.9462 10.15968
4900 21197.138 148.91446 0 3681.7708 1.4637295
4950 20624.65 244.13833 0 3681.5799 2.016093
5000 16136.434 992.86482 0 3682.2705 33.241782
5050 19460.401 437.60007 0 3681.0003 -25.703635
5100 20564.687 252.20769 0 3679.6556 6.2923966
5150 18775.592 551.99046 0 3681.2559 -19.910467
5200 17221.891 808.29471 0 3678.6098 -13.507697
5250 16826.206 876.56509 0 3680.9328 3.4329372
5300 20268.599 301.83666 0 3679.9366 13.804455
5350 20793.551 215.4013 0 3680.9931 4.6113121
5400 20835.003 208.24189 0 3680.7425 6.769571
5450 21231.898 142.36703 0 3681.0167 -9.1840288
5500 21770.447 52.883524 0 3681.2913 -15.581402
5550 20640.647 241.05037 0 3681.1582 7.1067478
5600 20334.25 292.48318 0 3681.5249 12.383931
5650 21918.294 28.527054 0 3681.5761 -11.715275
5700 19864.155 370.63971 0 3681.3321 -5.2498493
5750 19557.161 421.88326 0 3681.4101 10.266535
5800 21269.731 136.5163 0 3681.4715 -10.278869
5850 21217.567 144.87176 0 3681.133 -0.80004201
5900 20918.58 195.24343 0 3681.6734 -8.150687
5950 21562.393 87.966931 0 3681.6991 -7.0807503
6000 21737.026 58.960399 0 3681.798 0.35986633
6050 17665.146 736.87753 0 3681.0686 5.2353386
6100 21598.518 82.139113 0 3681.8921 -1.2295188
6150 18494 598.69844 0 3681.0318 -0.20557282
6200 21389.01 117.09447 0 3681.9295 -3.924552
6250 16832.48 875.20604 0 3680.6194 9.2758216
6300 20843.101 207.89957 0 3681.7497 -19.64557
6350 21327.871 127.43497 0 3682.0802 4.7716137
6400 21608.557 80.648523 0 3682.0746 -4.5491081
6450 21032.73 176.63135 0 3682.0864 3.6489021
6500 20344.986 290.89434 0 3681.7254 9.8516518
6550 19678.627 402.78524 0 3682.5563 -1.8297703
6600 17295.165 800.41144 0 3682.9389 3.6350734
6650 20548.144 257.97867 0 3682.6693 -42.053008
6700 21960.005 22.70154 0 3682.7024 -0.95498082
6750 21729.937 61.095999 0 3682.7522 4.8631654
6800 18818.032 546.40725 0 3682.7459 21.542505
6850 21180.87 152.66415 0 3682.8092 0.94210334
6900 21017.834 180.10104 0 3683.0734 -4.8512427
6950 20249.327 308.22455 0 3683.1124 -2.697047
7000 16804.403 881.69219 0 3682.4261 1.8672814
7050 20279.657 302.98951 0 3682.9324 2.2881958
7100 21600.327 82.434325 0 3682.4888 -0.71488733
7150 16021.897 1012.606 0 3682.9221 56.583357
7200 21585.876 84.673045 0 3682.319 1.0609522
7250 21866.079 38.365393 0 3682.7118 -20.485438
7300 21718.522 62.96656 0 3682.7202 -15.804724
7350 18341.807 626.1345 0 3683.1024 -3.0449167
7400 17584.61 752.59621 0 3683.3646 -15.502055
7450 14531.787 1262.0109 0 3683.9753 21.248245
7500 15820.654 1048.125 0 3684.9007 25.17849
7550 17615.435 746.54205 0 3682.4478 39.804447
7600 19761.3 389.1266 0 3682.6767 9.5147819
7650 21454.416 107.12031 0 3682.8563 -9.9559239
7700 20197.058 316.83603 0 3683.0124 4.742474
7750 18807.044 548.13594 0 3682.6432 28.005474
7800 19142.369 492.54373 0 3682.9385 8.0093606
7850 20323.38 295.59155 0 3682.8216 -11.06537
7900 21545.556 92.010592 0 3682.9367 -20.340577
7950 19983.399 352.34443 0 3682.9109 -1.0225883
8000 18596.322 582.97129 0 3682.3583 -9.2255788
8050 20071.141 337.84552 0 3683.0357 -22.138623
8100 19430.684 444.54545 0 3682.9929 6.6236217
8150 20966.595 188.10226 0 3682.5347 0.45037469
8200 17353.785 789.82642 0 3682.124 -5.4857745
8250 20790.41 218.01546 0 3683.0838 -3.401976
8300 19579.367 419.49834 0 3682.7262 -5.6214778
8350 21231.377 144.24913 0 3682.812 -2.4552635
8400 20994.314 183.90301 0 3682.9554 0.095071995
8450 17006.14 848.95454 0 3683.3113 13.762064
8500 20588.71 251.32651 0 3682.7781 6.2169302
8550 17119.312 829.02788 0 3682.2466 21.594764
8600 19955.648 356.49634 0 3682.4377 -4.2906986
8650 20064.555 338.86026 0 3682.9528 2.4418342
8700 21815.373 47.176006 0 3683.0715 -10.65532
8750 19573.166 420.69112 0 3682.8854 -11.86288
8800 19075.224 503.94623 0 3683.1503 -2.9075047
8850 19983.103 352.29079 0 3682.808 -6.5233901
8900 21628.756 78.40147 0 3683.1941 -23.213756
8950 20768.076 221.96991 0 3683.3158 -12.848999
9000 18769.52 554.95281 0 3683.2062 -1.2516853
9050 20418.925 279.70082 0 3682.8549 15.795059
9100 21235.492 144.16577 0 3683.4144 -2.8745449
9150 20308.163 298.5357 0 3683.2296 10.175426
9200 20488.93 268.90566 0 3683.7273 2.9744326
9250 17939.75 693.95577 0 3683.914 12.605468
9300 19961.431 356.63888 0 3683.544 1.1526025
9350 20418.7 281.34639 0 3684.4631 3.5224017
9400 21756.794 58.517344 0 3684.6496 -1.2543867
9450 20929.831 196.58312 0 3684.8883 0.61816446
9500 21842.678 44.698866 0 3685.1452 0.23812689
9550 21396.395 119.31226 0 3685.3781 2.9019136
9600 21695.084 69.592359 0 3685.4397 0.68235849
9650 19127.666 497.51185 0 3685.4562 23.414175
9700 21230.062 147.665 0 3686.0087 -12.323134
9750 20439.098 279.59746 0 3686.1138 -11.130897
9800 21259.664 142.88258 0 3686.16 -4.3304364
9850 19603.642 418.95384 0 3686.2275 -13.94962
9900 17158.838 827.02756 0 3686.8339 -20.351863
9950 18889.705 537.16225 0 3685.4464 4.9756305
10000 19780.534 387.817 0 3684.5727 -8.8256708
Loop time of 7.28886 on 1 procs for 10000 steps with 81 atoms
Pair time (%) = 0.286603 (3.93207)
Neigh time (%) = 0.125768 (1.72548)
Comm time (%) = 0.0176864 (0.242649)
Outpt time (%) = 0.0288253 (0.39547)
Other time (%) = 6.82998 (93.7043)
Nlocal: 81 ave 81 max 81 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 64 ave 64 max 64 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 1018 ave 1018 max 1018 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 1018
Ave neighs/atom = 12.5679
Neighbor list builds = 990
Dangerous builds = 920

306
examples/rigid/log.rigid.poems.5Oct07.linux.4 Normal file
View File

@ -0,0 +1,306 @@
LAMMPS (5 Oct 2007)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
orthogonal box = (-12 -12 -12) to (12 12 12)
1 by 2 by 2 processor grid
81 atoms
velocity all create 100.0 4928459
# unconnected bodies
#group clump1 id <> 1 9
#group clump2 id <> 10 18
#group clump3 id <> 19 27
#group clump4 id <> 28 36
#group clump5 id <> 37 45
#group clump6 id <> 46 54
#group clump7 id <> 55 63
#group clump8 id <> 64 72
#group clump9 id <> 73 81
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 1 chain of connected bodies
group clump1 id <> 1 9
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 = 1.32349 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 -0.86699147
1200 21815.003 45.317414 0 3681.1512 1.5988314
1250 18655.437 572.41453 0 3681.654 10.064078
1300 20780.781 217.36507 0 3680.8286 6.0538616
1350 20558.971 254.36483 0 3680.8601 -3.6773951
1400 21485.029 99.812918 0 3680.6511 -16.185473
1450 21771.107 52.15961 0 3680.6775 -2.4756673
1500 21520.948 93.503924 0 3680.3286 2.1023577
1550 21351.418 121.68137 0 3680.2511 5.5159946
1600 20778.805 216.92178 0 3680.0559 15.089188
1650 21477.638 100.21838 0 3679.8247 -1.1045721
1700 18501.339 596.47923 0 3680.0357 -15.679684
1750 18563.642 587.34794 0 3681.2882 33.532214
1800 19110.185 494.82345 0 3679.8543 18.024048
1850 21364.191 119.23549 0 3679.9339 2.5291055
1900 20146.626 322.14873 0 3679.9197 5.7313299
1950 20692.671 231.25337 0 3680.0319 4.2977739
2000 20943.904 189.11223 0 3679.7629 -22.645065
2050 19668.05 401.83114 0 3679.8394 3.6251299
2100 20280.429 299.76377 0 3679.8353 7.4807724
2150 19181.824 483.52803 0 3680.4987 22.621058
2200 21300.2 130.69877 0 3680.7321 4.7101388
2250 20486.872 266.65126 0 3681.1298 -8.64606
2300 18652.975 572.27254 0 3681.1017 -5.2634974
2350 21513.607 95.600862 0 3681.202 -9.3630049
2400 21466.13 103.58801 0 3681.2764 -29.557768
2450 20100.368 332.22709 0 3682.2885 35.732014
2500 20764.657 221.62387 0 3682.4 -12.463862
2550 20438.076 275.91333 0 3682.2592 -22.425852
2600 21466.132 104.59173 0 3682.2805 -10.082268
2650 20822.428 211.95671 0 3682.3614 5.127481
2700 18565.278 588.44551 0 3682.6584 22.293432
2750 20797.862 215.91059 0 3682.2209 -8.1063144
2800 21059.469 172.28051 0 3682.1921 -7.0844003
2850 16872.586 870.34211 0 3682.4398 32.849964
2900 19328.831 460.66814 0 3682.1399 7.9281931
2950 20586.345 250.96712 0 3682.0246 1.7396391
3000 20611.491 246.91122 0 3682.1598 0.15773191
3050 18708.556 564.3119 0 3682.4045 -8.7956783
3100 19495.833 432.52761 0 3681.8332 -2.1653832
3150 19519.49 428.89092 0 3682.1393 4.0100548
3200 20944.893 191.20605 0 3682.0216 11.871543
3250 21146.02 157.83687 0 3682.1735 -4.7375853
3300 20265.669 304.00917 0 3681.6207 -17.157191
3350 21869.083 37.329716 0 3682.1769 1.4108575
3400 21255.354 139.32181 0 3681.8809 1.2422306
3450 20561.221 254.99337 0 3681.8635 -2.7886134
3500 19336.164 459.33327 0 3682.0272 -9.8731549
3550 18542.312 591.07728 0 3681.4627 15.77161
3600 18730.537 560.14948 0 3681.9057 10.217264
3650 20873.396 203.06221 0 3681.9616 -28.564248
3700 21436.606 109.16145 0 3681.9292 -21.061612
3750 18675.966 569.02439 0 3681.6855 11.64657
3800 20436.375 275.84131 0 3681.9038 -5.9290461
3850 18328.137 628.10932 0 3682.7989 14.246278
3900 19024.623 511.1793 0 3681.9498 14.007294
3950 19466.443 437.78895 0 3682.1961 12.682242
4000 21202.262 148.49308 0 3682.2035 0.47453452
4050 21732.696 60.300584 0 3682.4166 3.5393138
4100 21261.101 138.98135 0 3682.4981 -2.3688202
4150 21039.305 176.06896 0 3682.6198 -7.3850759
4200 20861.193 205.8717 0 3682.7372 -5.9549501
4250 20727.806 227.85881 0 3682.4931 -4.9378024
4300 21240.72 142.99909 0 3683.1191 6.0140859
4350 20278.96 303.68016 0 3683.5068 18.008787
4400 21571.464 89.217978 0 3684.462 -8.2541517
4450 20945.879 194.34119 0 3685.3211 -10.755909
4500 19357.576 459.20233 0 3685.4651 -1.1662243
4550 20070.673 340.02546 0 3685.1377 8.1832489
4600 18365.334 624.41217 0 3685.3011 11.456111
4650 21054.585 175.93533 0 3685.0329 4.0987465
4700 20453.567 274.95682 0 3683.8846 18.963024
4750 21099.159 168.60809 0 3685.1346 -11.855465
4800 21158.189 159.18204 0 3685.5469 -17.31802
4850 18094.578 669.72236 0 3685.4853 40.180964
4900 20034.808 346.31522 0 3685.45 4.1804507
4950 18429.609 611.87316 0 3683.4747 -8.6927733
5000 17101.392 834.83641 0 3685.0685 29.261971
5050 19972.453 356.73256 0 3685.4746 -23.478596
5100 20409.248 283.96903 0 3685.5103 -15.62688
5150 18619.464 582.41194 0 3685.656 27.596644
5200 21091.026 170.5616 0 3685.7327 -2.1985242
5250 19646.432 411.12533 0 3685.5307 5.3421684
5300 16532.264 929.93501 0 3685.3123 3.6084684
5350 18936.014 529.38477 0 3685.3872 5.7677833
5400 19076.138 505.98075 0 3685.337 -3.5638094
5450 18054.685 676.72364 0 3685.8378 -21.232447
5500 19888.218 369.90928 0 3684.6123 -7.2785968
5550 19490.999 436.65981 0 3685.1597 7.9038749
5600 19100.952 502.38941 0 3685.8814 14.985758
5650 21651.913 76.978971 0 3685.6312 -1.0194868
5700 21567.956 90.782103 0 3685.4415 -4.4649746
5750 20856.197 208.52372 0 3684.5565 4.8535252
5800 19843.284 377.984 0 3685.198 12.062532
5850 21790.829 54.281667 0 3686.0866 -3.2023915
5900 18902.646 535.37059 0 3685.8116 10.894118
5950 21829.087 48.387859 0 3686.5691 2.2039614
6000 21245.256 145.52299 0 3686.399 6.2974108
6050 21751.287 61.184407 0 3686.3988 -0.1980726
6100 19043.424 513.07185 0 3686.9759 9.8533553
6150 21901.252 36.150127 0 3686.3587 -7.0300867
6200 20949.233 194.29786 0 3685.8366 8.4342445
6250 20899.339 202.11234 0 3685.3354 -2.5050622
6300 21319.283 132.94251 0 3686.1564 -1.6810321
6350 21831.692 48.011342 0 3686.6267 -2.4722049
6400 21456.882 110.75974 0 3686.9068 -3.5310241
6450 21270.92 141.72151 0 3686.8749 -43.058347
6500 20362.334 292.29277 0 3686.0151 -4.4931124
6550 18532.916 596.57491 0 3685.3942 3.980097
6600 19297.139 470.28434 0 3686.4742 -2.9651136
6650 17192.426 820.51306 0 3685.9173 -12.722339
6700 20048.902 344.57156 0 3686.0552 5.4710406
6750 19514.781 433.21286 0 3685.6764 -2.1603719
6800 16180.331 990.63515 0 3687.357 39.735611
6850 19840.599 379.89398 0 3686.6604 2.2347727
6900 19953.112 361.20748 0 3686.7261 -0.46915332
6950 19137.537 497.33803 0 3686.9276 -1.4982013
7000 20429.395 281.81168 0 3686.7108 3.4039584
7050 20467.147 275.61561 0 3686.8067 2.9208488
7100 19080.701 505.64775 0 3685.7645 12.174506
7150 18840.308 545.83722 0 3685.8886 -6.6402162
7200 21125.322 165.63742 0 3686.5244 -12.447263
7250 21920.551 33.452669 0 3686.8779 -10.072615
7300 21189.411 155.39428 0 3686.9628 -4.867636
7350 21124.285 166.49632 0 3687.2104 4.2436658
7400 20355.482 294.78502 0 3687.3653 4.6061237
7450 21093.692 171.68559 0 3687.301 6.0558886
7500 20270.87 308.63454 0 3687.1128 6.2719558
7550 19433.605 448.40614 0 3687.3404 -5.6016336
7600 20240.235 312.79213 0 3686.1647 -3.0011634
7650 19792.15 387.11218 0 3685.8039 -10.580568
7700 14157.397 1328.0944 0 3687.6605 32.611302
7750 17338.66 796.45586 0 3686.2326 0.86218444
7800 19338.869 460.76713 0 3683.912 -1.4462852
7850 16029.154 1015.1258 0 3686.6516 14.035556
7900 19626.602 415.68252 0 3686.7829 20.7258
7950 18138.796 663.47543 0 3686.608 -32.528083
8000 19002.116 521.00339 0 3688.0227 -28.12064
8050 18003.774 686.40425 0 3687.0332 4.743552
8100 18532.39 598.44513 0 3687.1769 9.0148457
8150 20314.631 301.43397 0 3687.2057 2.0305154
8200 20154.535 328.67356 0 3687.7628 -8.074052
8250 19886.764 372.84138 0 3687.3021 -13.298326
8300 21173.923 158.5106 0 3687.4978 -9.5518251
8350 20445.101 280.17375 0 3687.6906 -2.3370914
8400 18222.748 650.77372 0 3687.8984 20.90977
8450 21253.237 145.53122 0 3687.7374 0.35292148
8500 21842.717 47.582861 0 3688.0357 -20.238334
8550 21685.26 73.781781 0 3687.9918 -9.2796899
8600 19345.855 462.76597 0 3687.0751 -0.58665986
8650 21316.163 135.13667 0 3687.8306 -1.6957573
8700 21369.058 126.57065 0 3688.0802 -10.860311
8750 19781.049 391.32282 0 3688.1644 3.1612253
8800 21385.108 124.02099 0 3688.2056 -3.4873264
8850 19278.553 475.13162 0 3688.2238 0.81910384
8900 17369.506 793.84236 0 3688.7601 -40.628244
8950 16094.196 1006.0117 0 3688.3778 2.0629743
9000 20521.147 267.79738 0 3687.9885 -3.6336176
9050 20788.601 223.45804 0 3688.2248 -4.2888103
9100 17617.296 751.88551 0 3688.1015 19.580811
9150 18662.735 578.262 0 3688.7178 4.4307687
9200 21376.859 125.565 0 3688.3748 -4.9060456
9250 20291.289 305.94782 0 3687.8293 2.2695943
9300 19652.933 412.35425 0 3687.8431 -11.173517
9350 21711.377 69.686312 0 3688.2492 -0.89185439
9400 20721.11 234.3196 0 3687.838 -5.0034652
9450 19869.461 376.50024 0 3688.0771 -4.0484674
9500 20778.093 224.82968 0 3687.8453 -9.3419141
9550 19349.521 463.49677 0 3688.4169 7.2821763
9600 19950.596 363.37558 0 3688.4749 4.4951051
9650 17950.344 696.57233 0 3688.2963 -2.1058784
9700 19303.443 470.20976 0 3687.4503 7.3745293
9750 19575.95 425.60491 0 3688.2633 4.6587833
9800 20232.638 316.28985 0 3688.3962 -6.8119778
9850 18315.685 626.61681 0 3679.2309 44.209006
9900 18696.301 573.87582 0 3689.926 -13.107664
9950 16210.946 987.6856 0 3689.51 7.8659726
10000 18868.537 545.24307 0 3689.9992 -11.496391
Loop time of 11.3242 on 4 procs for 10000 steps with 81 atoms
Pair time (%) = 0.0832282 (0.734958)
Neigh time (%) = 0.0384688 (0.339704)
Comm time (%) = 3.25837 (28.7735)
Outpt time (%) = 0.143103 (1.26369)
Other time (%) = 7.80104 (68.8881)
Nlocal: 20.25 ave 81 max 0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Nghost: 51.25 ave 90 max 18 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Neighs: 316.5 ave 1266 max 0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Total # of neighbors = 1266
Ave neighs/atom = 15.6296
Neighbor list builds = 988
Dangerous builds = 901

307
examples/rigid/log.rigid.poems2.22Jun07.liberty.4
View File

@ -1,307 +0,0 @@
LAMMPS (22 June 2007)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
orthogonal box = (-12 -12 -12) to (12 12 12)
1 by 2 by 2 processor grid
81 atoms
velocity all create 100.0 4928459
# unconnected bodies
#group clump1 id <> 1 9
#group clump2 id <> 10 18
#group clump3 id <> 19 27
#group clump4 id <> 28 36
#group clump5 id <> 37 45
#group clump6 id <> 46 54
#group clump7 id <> 55 63
#group clump8 id <> 64 72
#group clump9 id <> 73 81
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 1 chain of connected bodies
#group clump1 id <> 1 9
#group clump2 id <> 9 18
#group clump3 id <> 18 27
#group clump4 id <> 27 36
#group clump5 id <> 36 45
#group clump6 id <> 45 54
#group clump7 id <> 54 63
#group clump8 id <> 63 72
#group clump9 id <> 72 81
#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 2 chains of connected bodies
group clump1 id <> 1 9
9 atoms in group clump1
group clump2 id <> 9 18
10 atoms in group clump2
group clump3 id <> 18 27
10 atoms in group clump3
group clump4 id <> 27 36
10 atoms in group clump4
group clump5 id <> 37 45
9 atoms in group clump5
group clump6 id <> 45 54
10 atoms in group clump6
group clump7 id <> 54 63
10 atoms in group clump7
group clump8 id <> 63 72
10 atoms in group clump8
group clump9 id <> 72 81
10 atoms in group clump9
fix 1 all poems group clump1 clump2 clump3 clump4
1 clusters, 4 bodies, 3 joints, 36 atoms
fix 2 all poems group clump5 clump6 clump7 clump8 clump9
1 clusters, 5 bodies, 4 joints, 45 atoms
neigh_modify exclude group clump1 clump1
neigh_modify exclude group clump2 clump2
neigh_modify exclude group clump3 clump3
neigh_modify exclude group clump4 clump4
neigh_modify exclude group clump5 clump5
neigh_modify exclude group clump6 clump6
neigh_modify exclude group clump7 clump7
neigh_modify exclude group clump8 clump8
neigh_modify exclude group clump9 clump9
thermo 100
dump 1 all atom 50 dump.rigid
timestep 0.0001
thermo 50
run 10000
Memory usage per processor = 1.83851 Mbytes
Step Temp E_pair E_mol TotEng Press
0 196.00047 3632.2347 0 3668.5311 -2.7403788
50 12167.633 1505.5478 0 3758.8133 35.125973
100 17556.978 512.66277 0 3763.9549 11.137534
150 19579.586 138.04942 0 3763.8987 -29.953971
200 19757.51 105.30542 0 3764.1036 -0.030645317
250 18218.374 390.10747 0 3763.8804 13.711001
300 19383.039 174.40688 0 3763.8586 5.7240693
350 20125.986 36.972611 0 3764.0071 1.9559205
400 18888.816 266.10975 0 3764.0386 9.6362168
450 19307.656 188.2511 0 3763.743 1.9326206
500 16331.197 738.56392 0 3762.8597 9.1715579
550 19318.722 186.16172 0 3763.7027 3.0115336
600 19455.268 161.20621 0 3764.0336 0.55208034
650 18487.011 340.03216 0 3763.5528 -8.0359122
700 17321.201 556.32471 0 3763.9545 -13.631751
750 18979.187 249.04389 0 3763.7082 -2.6072455
800 19342.456 181.85552 0 3763.7918 8.1918726
850 19070.641 232.19342 0 3763.7936 7.3148472
900 19478.873 156.65987 0 3763.8586 2.4284987
950 19912.415 76.437437 0 3763.9216 -1.4667227
1000 16003.749 802.39753 0 3766.0548 46.642188
1050 19859.583 86.64176 0 3764.3424 -2.1961943
1100 19229.575 203.61488 0 3764.6473 -10.632365
1150 18821.6 279.15861 0 3764.64 -0.89495035
1200 19392.695 173.59744 0 3764.8373 1.8508753
1250 16459.624 717.32104 0 3765.3995 33.478127
1300 19343.863 182.59043 0 3764.7874 0.75890736
1350 20019.643 57.503573 0 3764.8448 0.31444672
1400 18549.582 329.31436 0 3764.4221 10.738304
1450 15163.926 957.47583 0 3765.6103 -17.923459
1500 19223.688 204.15164 0 3764.0939 -1.6134548
1550 18147.996 404.12675 0 3764.8668 8.419476
1600 18615.043 317.42462 0 3764.6548 -2.3289018
1650 20120.654 38.887963 0 3764.935 -8.7620159
1700 19450.904 162.98318 0 3765.0025 2.3254642
1750 19374.634 177.37922 0 3765.2744 8.932879
1800 19424.403 167.93984 0 3765.0514 0.081244414
1850 17936.476 442.80024 0 3764.3699 6.6004381
1900 19982.598 64.405734 0 3764.8868 -2.9530867
1950 16216.207 761.84618 0 3764.8475 13.99299
2000 18584.309 322.14125 0 3763.6799 7.1657135
2050 20107.968 41.025323 0 3764.723 -0.31100219
2100 20002.381 60.584283 0 3764.7288 -6.7918769
2150 16949.202 626.70007 0 3765.4412 3.5108751
2200 20010.949 58.809053 0 3764.5403 -10.862469
2250 18982.71 247.01257 0 3762.3292 -0.53760308
2300 18401.513 354.84007 0 3762.5277 1.0915424
2350 19390.418 172.96117 0 3763.7793 -3.3530683
2400 16084.09 785.7786 0 3764.3137 -16.190023
2450 18871.606 268.52952 0 3763.2713 11.177432
2500 19686.081 117.99211 0 3763.5626 4.4022105
2550 18875.819 267.86112 0 3763.3831 -5.644853
2600 17010.705 613.30983 0 3763.4405 6.339113
2650 18797.741 282.8114 0 3763.8745 2.3556876
2700 19726.505 110.11368 0 3763.1701 -0.24505394
2750 19436.803 164.0424 0 3763.4504 -1.5253044
2800 18357.485 362.53565 0 3762.0699 22.084345
2850 19004.145 243.73317 0 3763.0192 2.2627686
2900 20108.185 39.496053 0 3763.234 -0.48500324
2950 15919.562 814.90854 0 3762.9756 15.610955
3000 17654.881 493.61172 0 3763.0342 2.6630007
3050 18711.769 298.14871 0 3763.2911 2.9706053
3100 16038.72 793.07314 0 3763.2064 8.0214715
3150 19925.087 73.363563 0 3763.1945 -11.409754
3200 19305.94 187.89701 0 3763.0711 0.57287469
3250 19779.251 100.11507 0 3762.9394 -10.121237
3300 17922.539 444.12789 0 3763.1166 6.2204358
3350 18967.646 250.37413 0 3762.9011 6.3180053
3400 16940.148 625.60864 0 3762.673 35.103295
3450 19284.152 191.53891 0 3762.6781 2.3570968
3500 19321.512 184.58448 0 3762.6423 2.2709682
3550 19631.049 126.97845 0 3762.358 -0.65897943
3600 18494.976 337.74154 0 3762.7371 -2.419701
3650 19117.634 222.45812 0 3762.7607 0.050198383
3700 19400.367 170.05551 0 3762.716 -0.60552841
3750 19912.752 75.322358 0 3762.869 -3.6525006
3800 18564.109 325.06781 0 3762.8658 5.4109379
3850 19846.304 87.655562 0 3762.8971 2.5946736
3900 19476.444 156.1165 0 3762.8653 -8.9729351
3950 19647.738 124.43854 0 3762.9085 0.82844488
4000 18123.616 406.3511 0 3762.5762 8.2661512
4050 16574.617 693.99841 0 3763.372 0.84625476
4100 18946.287 254.50552 0 3763.0773 -0.39624245
4150 18466.555 343.35133 0 3763.0837 -10.151094
4200 19477.739 156.04727 0 3763.0359 -0.73208547
4250 19680.9 118.38024 0 3762.9913 1.4563423
4300 18320.329 369.90558 0 3762.5591 -1.1852345
4350 18767.214 286.789 0 3762.199 6.3326391
4400 16894.629 634.49312 0 3763.1281 10.255417
4450 17915.848 444.62515 0 3762.3748 -4.633212
4500 19487.927 154.02671 0 3762.9021 -2.8383574
4550 19880.496 81.301302 0 3762.8746 2.9361031
4600 19872.228 82.669863 0 3762.7122 -3.2788098
4650 15769.89 843.11924 0 3763.4693 8.5209519
4700 19720.045 110.85283 0 3762.7129 -0.52445088
4750 19764.607 102.5192 0 3762.6317 2.1798609
4800 17562.467 510.78691 0 3763.0956 7.3629583
4850 19463.538 158.32481 0 3762.6836 -3.9920666
4900 17932.952 441.75053 0 3762.6675 6.9598399
4950 19084.979 228.62301 0 3762.8785 6.4376261
5000 19472.38 156.9411 0 3762.9375 4.4983114
5050 19453.908 160.3778 0 3762.9533 4.6612574
5100 19521.287 147.96055 0 3763.0137 2.904162
5150 18128.471 405.81521 0 3762.9394 5.3809492
5200 17049.524 605.73212 0 3763.0514 -6.0390166
5250 19645.014 125.0255 0 3762.991 -6.8246205
5300 18281.054 377.45844 0 3762.8388 13.32637
5350 19457.083 159.77948 0 3762.9429 0.21762328
5400 18431.165 349.7041 0 3762.8827 -5.7191385
5450 19431.127 164.51144 0 3762.8682 -8.6635331
5500 19538.523 144.42775 0 3762.6727 -1.6610416
5550 16105.678 780.35525 0 3762.8882 48.462329
5600 20038.616 51.570638 0 3762.4254 -1.5590991
5650 19774.413 100.34213 0 3762.2704 -3.4571242
5700 19210.59 204.66324 0 3762.18 1.851606
5750 19146.331 216.47595 0 3762.0928 2.0721573
5800 19058.521 232.88706 0 3762.2428 -1.9839575
5850 19195.04 207.81355 0 3762.4506 -10.269192
5900 18304.113 372.73776 0 3762.3882 -5.7543087
5950 19936.776 70.443763 0 3762.4393 3.6659806
6000 19413.016 167.50961 0 3762.5125 2.5981288
6050 19169.847 212.36264 0 3762.3343 2.9324328
6100 19873.513 82.452317 0 3762.7325 -0.5468764
6150 18911.794 260.42784 0 3762.6119 -2.1216521
6200 19153.7 215.69884 0 3762.6802 -1.0975226
6250 18802.916 280.37164 0 3762.3932 4.7012709
6300 19385.046 172.8566 0 3762.6799 3.7637577
6350 20042.403 51.159768 0 3762.7159 -0.15040693
6400 17671.74 490.05042 0 3762.5948 9.0126067
6450 18092.22 412.77197 0 3763.1832 -2.8594764
6500 19953.711 67.838094 0 3762.9698 3.7323378
6550 19818.338 92.883562 0 3762.9461 -1.9994936
6600 19323.833 183.93088 0 3762.4184 -0.95695044
6650 18642.816 310.35894 0 3762.7323 15.264581
6700 16246.778 753.95834 0 3762.6209 26.618472
6750 19362.672 176.94037 0 3762.6204 -4.6442606
6800 18813.849 278.64468 0 3762.6908 2.5699369
6850 19386.278 172.79274 0 3762.8443 -10.400863
6900 19206.609 206.02588 0 3762.8054 -2.680536
6950 18068.847 416.85422 0 3762.9369 -9.0106209
7000 18369.805 360.43314 0 3762.249 13.735008
7050 18426.189 350.61688 0 3762.8741 8.3714758
7100 17656.982 492.79834 0 3762.6098 4.4583118
7150 18141.722 402.98387 0 3762.562 8.3258153
7200 18621.905 313.92925 0 3762.4301 -5.8742464
7250 18374.083 360.03493 0 3762.6429 -13.815946
7300 18040.277 421.82567 0 3762.6177 -4.6905029
7350 19146.198 217.01003 0 3762.6023 5.1451068
7400 18826.989 276.1892 0 3762.6686 6.5391972
7450 16067.243 787.1796 0 3762.5949 8.3754041
7500 18419.546 351.11771 0 3762.1448 7.7248275
7550 18446.346 346.8971 0 3762.8871 13.350672
7600 18944.672 254.13521 0 3762.4077 3.6554152
7650 18736.984 292.8881 0 3762.7 -14.958085
7700 18741.654 291.39068 0 3762.0673 -2.1933562
7750 18220.361 388.04072 0 3762.1816 9.7868422
7800 19348.223 178.96147 0 3761.9658 -0.26463817
7850 19401.949 169.04328 0 3761.9968 -1.5022009
7900 18577.957 321.63399 0 3761.9965 1.4151292
7950 17739.892 476.69976 0 3761.865 5.1996225
8000 17512.557 519.37266 0 3762.4387 5.2453534
8050 19168.123 212.38445 0 3762.0369 -3.9960482
8100 17916.044 443.46573 0 3761.2517 -5.9817899
8150 18601.23 316.95165 0 3761.6238 3.8327542
8200 17791.805 467.15931 0 3761.9381 -2.6931191
8250 18321.607 369.09405 0 3761.9843 1.4342349
8300 17334.957 552.06316 0 3762.2404 4.1774271
8350 17207.467 575.31923 0 3761.8872 1.1785558
8400 18225.217 387.22593 0 3762.2662 9.0197316
8450 19004.047 243.03694 0 3762.3048 7.664125
8500 18952.876 252.61597 0 3762.4078 -3.9713236
8550 19127.437 220.08856 0 3762.2066 -10.686924
8600 19542.154 143.35104 0 3762.2684 -1.9189815
8650 19294.525 189.17898 0 3762.2392 -1.4875507
8700 18832.532 274.05387 0 3761.5598 -1.9519412
8750 18591.931 318.93488 0 3761.885 9.928625
8800 18576.38 322.04174 0 3762.1121 -3.8846944
8850 19922.086 72.972833 0 3762.248 -0.56032546
8900 18892.839 263.55803 0 3762.2319 4.9733954
8950 16486.736 708.70288 0 3761.8022 37.965254
9000 18628.335 312.81773 0 3762.5094 6.0750689
9050 19286.823 190.4938 0 3762.1278 -2.2862927
9100 18973.378 247.96414 0 3761.5526 5.0771442
9150 17256.927 566.17648 0 3761.9038 5.7456977
9200 18507.288 334.66416 0 3761.9398 1.1406887
9250 18961.534 250.42427 0 3761.8194 -5.8909163
9300 19206.115 205.203 0 3761.8911 1.0922244
9350 19401.191 168.92055 0 3761.7336 -1.921044
9400 18069.392 415.54646 0 3761.7301 5.0565694
9450 18828.428 274.89551 0 3761.6415 10.024306
9500 18295.323 373.66825 0 3761.691 -1.4888703
9550 17709.338 482.22946 0 3761.7365 -9.028568
9600 19512.39 148.31281 0 3761.7184 -4.2133026
9650 19742.351 105.74048 0 3761.7315 -0.57801883
9700 19892.658 77.898869 0 3761.7245 1.2005091
9750 19035.044 236.65131 0 3761.6595 2.87911
9800 17443.415 531.71826 0 3761.9802 23.5179
9850 19545.912 141.99994 0 3761.6133 1.3493021
9900 19542.173 142.22929 0 3761.1503 3.087434
9950 19794.356 96.034607 0 3761.6561 -3.1844994
10000 19058.563 232.34496 0 3761.7085 -7.1466609
Loop time of 17.168 on 4 procs for 10000 steps with 81 atoms
Pair time (%) = 0.0928572 (0.540875)
Neigh time (%) = 0.0403583 (0.235079)
Comm time (%) = 1.50369 (8.75868)
Outpt time (%) = 0.0945153 (0.550533)
Other time (%) = 15.4366 (89.9148)
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

307
examples/rigid/log.rigid.poems2.22Jun07.linux.1
View File

@ -1,307 +0,0 @@
LAMMPS (22 June 2007)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
orthogonal box = (-12 -12 -12) to (12 12 12)
1 by 1 by 1 processor grid
81 atoms
velocity all create 100.0 4928459
# unconnected bodies
#group clump1 id <> 1 9
#group clump2 id <> 10 18
#group clump3 id <> 19 27
#group clump4 id <> 28 36
#group clump5 id <> 37 45
#group clump6 id <> 46 54
#group clump7 id <> 55 63
#group clump8 id <> 64 72
#group clump9 id <> 73 81
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 1 chain of connected bodies
#group clump1 id <> 1 9
#group clump2 id <> 9 18
#group clump3 id <> 18 27
#group clump4 id <> 27 36
#group clump5 id <> 36 45
#group clump6 id <> 45 54
#group clump7 id <> 54 63
#group clump8 id <> 63 72
#group clump9 id <> 72 81
#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 2 chains of connected bodies
group clump1 id <> 1 9
9 atoms in group clump1
group clump2 id <> 9 18
10 atoms in group clump2
group clump3 id <> 18 27
10 atoms in group clump3
group clump4 id <> 27 36
10 atoms in group clump4
group clump5 id <> 37 45
9 atoms in group clump5
group clump6 id <> 45 54
10 atoms in group clump6
group clump7 id <> 54 63
10 atoms in group clump7
group clump8 id <> 63 72
10 atoms in group clump8
group clump9 id <> 72 81
10 atoms in group clump9
fix 1 all poems group clump1 clump2 clump3 clump4
1 clusters, 4 bodies, 3 joints, 36 atoms
fix 2 all poems group clump5 clump6 clump7 clump8 clump9
1 clusters, 5 bodies, 4 joints, 45 atoms
neigh_modify exclude group clump1 clump1
neigh_modify exclude group clump2 clump2
neigh_modify exclude group clump3 clump3
neigh_modify exclude group clump4 clump4
neigh_modify exclude group clump5 clump5
neigh_modify exclude group clump6 clump6
neigh_modify exclude group clump7 clump7
neigh_modify exclude group clump8 clump8
neigh_modify exclude group clump9 clump9
thermo 100
dump 1 all atom 50 dump.rigid
timestep 0.0001
thermo 50
run 10000
Memory usage per processor = 1.92712 Mbytes
Step Temp E_pair E_mol TotEng Press
0 196.00047 3632.2347 0 3668.5311 -2.7403788
50 12167.633 1505.5478 0 3758.8133 35.125973
100 17556.978 512.66277 0 3763.9549 11.137534
150 19579.586 138.04942 0 3763.8987 -29.953971
200 19757.51 105.30542 0 3764.1036 -0.030645317
250 18218.374 390.10747 0 3763.8804 13.711001
300 19383.039 174.40688 0 3763.8586 5.7240693
350 20125.986 36.972611 0 3764.0071 1.9559205
400 18888.816 266.10975 0 3764.0386 9.6362168
450 19307.656 188.2511 0 3763.743 1.9326206
500 16331.197 738.56392 0 3762.8597 9.1715579
550 19318.722 186.16172 0 3763.7027 3.0115336
600 19455.268 161.20621 0 3764.0336 0.55208034
650 18487.011 340.03216 0 3763.5528 -8.0359122
700 17321.201 556.32471 0 3763.9545 -13.631751
750 18979.187 249.04389 0 3763.7082 -2.6072455
800 19342.456 181.85552 0 3763.7918 8.1918726
850 19070.641 232.19342 0 3763.7936 7.3148472
900 19478.873 156.65987 0 3763.8586 2.4284987
950 19912.415 76.437437 0 3763.9216 -1.4667227
1000 16003.749 802.39753 0 3766.0548 46.642188
1050 19859.583 86.64176 0 3764.3424 -2.1961943
1100 19229.575 203.61488 0 3764.6473 -10.632365
1150 18821.6 279.15861 0 3764.64 -0.89495035
1200 19392.695 173.59744 0 3764.8373 1.8508753
1250 16459.624 717.32104 0 3765.3995 33.478127
1300 19343.863 182.59043 0 3764.7874 0.75890736
1350 20019.643 57.503573 0 3764.8448 0.31444672
1400 18549.582 329.31436 0 3764.4221 10.738304
1450 15163.926 957.47582 0 3765.6103 -17.923459
1500 19223.689 204.15156 0 3764.0939 -1.6134559
1550 18147.996 404.12674 0 3764.8668 8.4194748
1600 18615.043 317.42458 0 3764.6548 -2.3289073
1650 20120.654 38.887996 0 3764.935 -8.7620081
1700 19450.903 162.98348 0 3765.0025 2.3254585
1750 19374.636 177.37893 0 3765.2744 8.93288
1800 19424.402 167.93995 0 3765.0514 0.081253537
1850 17936.625 442.77274 0 3764.3699 6.60003
1900 19982.599 64.405428 0 3764.8868 -2.9531558
1950 16216.44 761.80238 0 3764.8469 13.991862
2000 18584.234 322.15493 0 3763.6798 7.1659198
2050 20107.969 41.025039 0 3764.723 -0.31106422
2100 20002.411 60.57861 0 3764.7288 -6.7918086
2150 16948.844 626.76647 0 3765.4413 3.512116
2200 20010.946 58.809564 0 3764.5403 -10.862667
2250 18982.703 247.01388 0 3762.3292 -0.5373304
2300 18401.642 354.81637 0 3762.5279 1.0912175
2350 19390.361 172.97181 0 3763.7793 -3.3533924
2400 16086.125 785.40108 0 3764.3132 -16.183657
2450 18872.351 268.39211 0 3763.2718 11.164657
2500 19684.688 118.25055 0 3763.5632 4.4144806
2550 18878.925 267.2853 0 3763.3825 -5.6338978
2600 17005.407 614.29162 0 3763.441 6.3575302
2650 18827.389 277.31059 0 3763.8641 2.3182614
2700 19715.461 112.12451 0 3763.1358 -0.19109773
2750 19319.449 185.79269 0 3763.4684 -1.3550374
2800 18120.942 406.44184 0 3762.1719 26.654821
2850 19401.627 170.17075 0 3763.0647 0.73603491
2900 20106.157 39.874788 0 3763.2371 -1.1342032
2950 16814.814 649.4335 0 3763.288 12.415015
3000 16200.577 761.45184 0 3761.5588 21.599685
3050 18396.676 356.11264 0 3762.9044 7.6140431
3100 17582.958 506.67523 0 3762.7786 -14.766278
3150 18362.109 362.43838 0 3762.8289 3.2782729
3200 17008.785 613.88943 0 3763.6645 5.070376
3250 19614.194 130.81389 0 3763.072 1.1021521
3300 18995.955 245.31261 0 3763.0821 -8.6889904
3350 18215.815 389.87474 0 3763.1737 2.7550234
3400 18068.71 417.08655 0 3763.144 17.578891
3450 19352.914 179.0126 0 3762.8855 8.4058764
3500 18738.818 292.55665 0 3762.7082 3.8415777
3550 19469.912 157.36508 0 3762.9044 2.5399078
3600 18431.706 349.41269 0 3762.6916 2.3088878
3650 18819.962 277.76095 0 3762.9392 5.1521358
3700 19813.675 93.945731 0 3763.1449 -0.34475825
3750 18075.078 415.77801 0 3763.0146 -1.8968333
3800 19422.14 166.53886 0 3763.2315 -2.2150672
3850 18013.209 427.44475 0 3763.2243 -6.0428819
3900 19193.889 208.87526 0 3763.2991 -3.9692972
3950 16568.188 695.64549 0 3763.8284 13.243843
4000 17993.623 430.51008 0 3762.6626 5.0888559
4050 19625.511 128.63837 0 3762.9922 -0.70241793
4100 19069.298 231.35736 0 3762.7088 -5.6365968
4150 18033.877 424.02231 0 3763.6292 -6.8518969
4200 19950.626 68.482279 0 3763.0426 -1.8524059
4250 18786.19 284.10677 0 3763.0309 5.811473
4300 19526.067 146.81821 0 3762.7565 -9.5811432
4350 16343.335 736.72783 0 3763.2714 30.281083
4400 18759.668 288.81939 0 3762.8319 5.5918027
4450 18633.251 312.20135 0 3762.8033 3.8618473
4500 18079.31 414.80535 0 3762.8256 2.2481588
4550 18288.498 376.11039 0 3762.8693 4.1087615
4600 18315.887 371.16083 0 3762.9918 -3.5412078
4650 18901.901 262.59396 0 3762.9459 -7.3155419
4700 19311.704 186.85051 0 3763.092 -5.9856651
4750 19426.54 165.69302 0 3763.2005 -7.0519961
4800 18347.933 365.43611 0 3763.2015 5.0195241
4850 19952.067 68.477491 0 3763.3047 3.3126678
4900 19224.549 203.14962 0 3763.2513 -2.8437357
4950 19857.322 85.89601 0 3763.1779 -1.4381085
5000 19592.925 134.86246 0 3763.182 0.8610879
5050 19472.16 157.37877 0 3763.3343 -0.31578957
5100 19814.831 93.787624 0 3763.2008 5.3970415
5150 18211.407 390.82193 0 3763.3047 8.4423278
5200 18828.994 276.3271 0 3763.1778 10.441024
5250 20121.332 37.261735 0 3763.4344 -2.2672502
5300 17755.337 475.75071 0 3763.7761 3.3792401
5350 20033.05 53.761483 0 3763.5855 -3.031072
5400 19332.059 183.54479 0 3763.5557 6.0877875
5450 19964.421 66.56191 0 3763.677 0.034467069
5500 19838.257 89.969443 0 3763.7207 -3.5800893
5550 19202.804 207.40212 0 3763.4769 8.5123136
5600 19855.825 86.760789 0 3763.7654 1.3832846
5650 19060.478 234.22396 0 3763.9421 2.6116735
5700 20124.587 37.161564 0 3763.937 3.4519842
5750 19304.489 189.01672 0 3763.9221 -0.096371392
5800 18516.206 335.07659 0 3764.0036 -4.9526268
5850 18093.127 413.01533 0 3763.5945 -3.6663927
5900 17303.637 559.08088 0 3763.458 -4.805237
5950 19818.733 93.796285 0 3763.932 0.043875363
6000 18162.182 400.57864 0 3763.9457 7.4143797
6050 18439.177 349.30792 0 3763.9703 -0.92601434
6100 18899.456 263.84185 0 3763.741 8.018437
6150 17317.004 556.71789 0 3763.5704 10.764267
6200 18991.81 246.89696 0 3763.8989 -4.0990586
6250 19868.798 84.388048 0 3763.795 0.58061118
6300 18989.135 247.26992 0 3763.7763 12.682799
6350 15978.578 804.89 0 3763.8858 6.3163773
6400 18967.47 251.22915 0 3763.7236 1.3481515
6450 19294.369 190.87058 0 3763.9019 -8.5139829
6500 19826.451 92.014872 0 3763.5798 1.0125001
6550 17480.845 526.28717 0 3763.4807 5.9053655
6600 17806.087 465.8384 0 3763.262 21.004433
6650 17942.192 439.48981 0 3762.118 2.0212326
6700 16468.094 712.95472 0 3762.6018 6.6618901
6750 19305.119 188.34815 0 3763.3703 1.8765297
6800 19988.201 62.004452 0 3763.5231 -1.6652967
6850 20193.079 24.117041 0 3763.5761 -4.1748266
6900 20011.596 57.729546 0 3763.5806 -3.6774766
6950 18419.577 352.48285 0 3763.5157 -3.8710136
7000 19178.531 212.01179 0 3763.5917 5.2484112
7050 18754.875 289.8693 0 3762.9942 7.5083851
7100 19179.381 211.26035 0 3762.9975 1.8325782
7150 18221.392 388.75188 0 3763.0837 -9.4596464
7200 19508.765 150.73861 0 3763.4729 -8.4154341
7250 16779.268 656.19712 0 3763.4689 3.9284063
7300 19184.405 210.6069 0 3763.2744 -7.0049508
7350 17914.948 445.90458 0 3763.4876 1.9922265
7400 14040.559 1164.2709 0 3764.3744 -25.198045
7450 17680.643 489.04226 0 3763.2354 4.6678876
7500 15575.048 879.11471 0 3763.3829 5.3335325
7550 16738.339 663.36831 0 3763.0607 10.735452
7600 18927.126 258.2804 0 3763.3038 -1.3289622
7650 17033.929 610.18818 0 3764.6195 15.51609
7700 17800.589 463.84003 0 3760.2454 -9.8344679
7750 18337.643 367.47891 0 3763.3388 -3.4235631
7800 20102.521 40.465427 0 3763.1544 -2.5622118
7850 18854.307 271.72975 0 3763.2681 16.38529
7900 18769.869 287.08151 0 3762.9832 8.285443
7950 19530.556 146.69214 0 3763.4618 2.5699618
8000 17967.757 436.48149 0 3763.8439 -13.724493
8050 19995.451 60.489084 0 3763.3503 -6.7296549
8100 17668.554 491.39156 0 3763.346 -1.5877323
8150 17041.937 607.0112 0 3762.9255 29.132719
8200 19634.282 127.02828 0 3763.0064 5.4245146
8250 19464.43 158.26891 0 3762.7929 -1.0959737
8300 18262.088 380.75171 0 3762.6199 -9.5161603
8350 19154.678 214.95549 0 3762.118 1.4904442
8400 18631.904 312.04844 0 3762.4011 6.200446
8450 17326.79 552.9849 0 3761.6497 0.58133511
8500 18262.986 380.59746 0 3762.6319 -1.5859109
8550 16355.636 733.37813 0 3762.1995 -6.8040182
8600 17652.805 494.50385 0 3763.5419 2.9981184
8650 16589.75 690.94159 0 3763.1175 -0.61681982
8700 18767.632 287.52175 0 3763.0091 -0.15112824
8750 19530.676 145.40209 0 3762.194 3.6106484
8800 16209.935 760.89243 0 3762.7323 -12.504448
8850 19909.854 75.790768 0 3762.8008 1.4759603
8900 19162.868 213.40033 0 3762.0797 6.8118408
8950 17996.377 429.38719 0 3762.0496 11.126692
9000 17366.686 545.41384 0 3761.4667 -5.089277
9050 16976.454 618.54424 0 3762.332 -5.533809
9100 19419.965 166.18943 0 3762.4793 3.7595663
9150 17900.022 448.30981 0 3763.1287 -6.2299514
9200 18662.637 306.89813 0 3762.942 -2.0816787
9250 19806.478 95.487105 0 3763.3534 -19.715374
9300 19065.731 233.31844 0 3764.0093 0.66896622
9350 15347.66 921.21669 0 3763.3759 10.777468
9400 18056.449 416.32084 0 3760.1078 13.580271
9450 19104.743 225.75045 0 3763.6658 -0.57249212
9500 18193.488 394.55096 0 3763.7154 -3.8896144
9550 17005.07 614.383 0 3763.4701 20.544154
9600 18956.557 253.26137 0 3763.7349 1.0366132
9650 18278.345 379.38464 0 3764.2634 -11.945363
9700 19791.354 98.864736 0 3763.9303 1.0827422
9750 19840.264 89.82519 0 3763.9482 -2.1741548
9800 19120.304 222.91513 0 3763.7122 -3.392839
9850 15643.719 866.53246 0 3763.5175 1.2278747
9900 16998.456 616.53609 0 3764.3983 -8.3833815
9950 19670.981 121.07532 0 3763.8496 0.76591747
10000 16544.589 699.98952 0 3763.8022 -21.503512
Loop time of 26.9591 on 1 procs for 10000 steps with 81 atoms
Pair time (%) = 0.70095 (2.60005)
Neigh time (%) = 0.258285 (0.958063)
Comm time (%) = 0.131733 (0.488641)
Outpt time (%) = 0.175157 (0.649714)
Other time (%) = 25.693 (95.3035)
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

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

@ -0,0 +1,307 @@
LAMMPS (5 Oct 2007)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
orthogonal box = (-12 -12 -12) to (12 12 12)
1 by 1 by 1 processor grid
81 atoms
velocity all create 100.0 4928459
# unconnected bodies
#group clump1 id <> 1 9
#group clump2 id <> 10 18
#group clump3 id <> 19 27
#group clump4 id <> 28 36
#group clump5 id <> 37 45
#group clump6 id <> 46 54
#group clump7 id <> 55 63
#group clump8 id <> 64 72
#group clump9 id <> 73 81
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 1 chain of connected bodies
#group clump1 id <> 1 9
#group clump2 id <> 9 18
#group clump3 id <> 18 27
#group clump4 id <> 27 36
#group clump5 id <> 36 45
#group clump6 id <> 45 54
#group clump7 id <> 54 63
#group clump8 id <> 63 72
#group clump9 id <> 72 81
#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 2 chains of connected bodies
group clump1 id <> 1 9
9 atoms in group clump1
group clump2 id <> 9 18
10 atoms in group clump2
group clump3 id <> 18 27
10 atoms in group clump3
group clump4 id <> 27 36
10 atoms in group clump4
group clump5 id <> 37 45
9 atoms in group clump5
group clump6 id <> 45 54
10 atoms in group clump6
group clump7 id <> 54 63
10 atoms in group clump7
group clump8 id <> 63 72
10 atoms in group clump8
group clump9 id <> 72 81
10 atoms in group clump9
fix 1 all poems group clump1 clump2 clump3 clump4
1 clusters, 4 bodies, 3 joints, 36 atoms
fix 2 all poems group clump5 clump6 clump7 clump8 clump9
1 clusters, 5 bodies, 4 joints, 45 atoms
neigh_modify exclude group clump1 clump1
neigh_modify exclude group clump2 clump2
neigh_modify exclude group clump3 clump3
neigh_modify exclude group clump4 clump4
neigh_modify exclude group clump5 clump5
neigh_modify exclude group clump6 clump6
neigh_modify exclude group clump7 clump7
neigh_modify exclude group clump8 clump8
neigh_modify exclude group clump9 clump9
thermo 100
dump 1 all atom 50 dump.rigid
timestep 0.0001
thermo 50
run 10000
Memory usage per processor = 1.85865 Mbytes
Step Temp E_pair E_mol TotEng Press
0 196.00047 3632.2347 0 3668.5311 -2.7403788
50 12167.633 1505.5478 0 3758.8133 35.125973
100 17556.978 512.66277 0 3763.9549 11.137534
150 19579.586 138.04942 0 3763.8987 -29.953971
200 19757.51 105.30542 0 3764.1036 -0.030645317
250 18218.374 390.10747 0 3763.8804 13.711001
300 19383.039 174.40688 0 3763.8586 5.7240693
350 20125.986 36.972611 0 3764.0071 1.9559205
400 18888.816 266.10975 0 3764.0386 9.6362168
450 19307.656 188.2511 0 3763.743 1.9326206
500 16331.197 738.56392 0 3762.8597 9.1715579
550 19318.722 186.16172 0 3763.7027 3.0115336
600 19455.268 161.20621 0 3764.0336 0.55208034
650 18487.011 340.03216 0 3763.5528 -8.0359122
700 17321.201 556.32471 0 3763.9545 -13.631751
750 18979.187 249.04389 0 3763.7082 -2.6072455
800 19342.456 181.85552 0 3763.7918 8.1918726
850 19070.641 232.19342 0 3763.7936 7.3148472
900 19478.873 156.65987 0 3763.8586 2.4284987
950 19912.415 76.437437 0 3763.9216 -1.4667227
1000 16003.749 802.39753 0 3766.0548 46.642188
1050 19859.583 86.64176 0 3764.3424 -2.1961943
1100 19229.575 203.61488 0 3764.6473 -10.632365
1150 18821.6 279.15861 0 3764.64 -0.89495035
1200 19392.695 173.59744 0 3764.8373 1.8508753
1250 16459.624 717.32104 0 3765.3995 33.478127
1300 19343.863 182.59043 0 3764.7874 0.75890736
1350 20019.643 57.503573 0 3764.8448 0.31444672
1400 18549.582 329.31436 0 3764.4221 10.738303
1450 15163.926 957.47584 0 3765.6103 -17.923459
1500 19223.688 204.15171 0 3764.0939 -1.6134537
1550 18147.996 404.12676 0 3764.8668 8.4194772
1600 18615.043 317.42465 0 3764.6548 -2.3288964
1650 20120.654 38.887931 0 3764.935 -8.7620234
1700 19450.906 162.98288 0 3765.0025 2.3254699
1750 19374.633 177.3795 0 3765.2744 8.9328779
1800 19424.403 167.93973 0 3765.0514 0.081235304
1850 17936.331 442.82718 0 3764.3699 6.6008391
1900 19982.596 64.40603 0 3764.8868 -2.9530194
1950 16215.981 761.88879 0 3764.8481 13.994088
2000 18584.381 322.128 0 3763.68 7.1655135
2050 20107.966 41.025597 0 3764.723 -0.31094122
2100 20002.35 60.589881 0 3764.7288 -6.7919416
2150 16949.562 626.63321 0 3765.441 3.5096306
2200 20010.952 58.808561 0 3764.5403 -10.86228
2250 18982.725 247.00987 0 3762.3292 -0.53791914
2300 18401.372 354.86612 0 3762.5275 1.0918754
2350 19390.489 172.94794 0 3763.7793 -3.3526861
2400 16081.953 786.17478 0 3764.3143 -16.196885
2450 18870.833 268.6722 0 3763.2708 11.190569
2500 19687.509 117.72716 0 3763.5621 4.3895758
2550 18872.588 268.46009 0 3763.3837 -5.65615
2600 17016.358 612.26248 0 3763.4398 6.3212358
2650 18770.003 287.95779 0 3763.8843 2.3918934
2700 19736.664 108.26363 0 3763.2014 -0.29985725
2750 19503.072 151.75954 0 3763.4396 -1.6107925
2800 18406.518 353.53932 0 3762.1537 21.011956
2850 18588.513 320.69228 0 3763.0095 3.8268043
2900 20117.999 37.673729 0 3763.2291 0.38606556
2950 15648.583 864.90426 0 3762.79 14.652138
3000 18110.003 409.12743 0 3762.8316 7.3046692
3050 18963.762 251.51142 0 3763.3192 8.8730032
3100 19360.233 177.87686 0 3763.1052 -3.003396
3150 19397.486 171.24452 0 3763.3715 -8.1894286
3200 19861.488 85.443011 0 3763.4963 -7.9892285
3250 18129.623 406.06986 0 3763.4075 6.2227065
3300 18459.732 345.12915 0 3763.5981 -0.88501113
3350 18418.183 352.86898 0 3763.6435 5.1465871
3400 18198.833 393.57376 0 3763.7281 17.906799
3450 19394.691 171.91415 0 3763.5237 2.3061923
3500 17989.487 431.57409 0 3762.9605 4.7722999
3550 19839.778 89.464757 0 3763.4977 0.75587352
3600 16651.363 679.92046 0 3763.5062 2.5922559
3650 19640.809 126.36971 0 3763.5565 3.8009718
3700 18760.693 289.25283 0 3763.4552 -0.23256809
3750 18422.806 351.8633 0 3763.494 -5.7063428
3800 19064.379 232.62039 0 3763.0609 1.9143018
3850 20028.147 54.870459 0 3763.7866 -2.0674064
3900 18363.903 363.15053 0 3763.8733 -0.83767264
3950 19142.068 218.5822 0 3763.4096 1.2533787
4000 17657.429 493.09545 0 3762.9897 12.601663
4050 19999.996 59.856421 0 3763.5594 0.65351515
4100 19031.815 238.72419 0 3763.1343 -2.7080944
4150 18380.468 359.73956 0 3763.53 15.388701
4200 18317.648 371.13705 0 3763.294 -13.66239
4250 18825.075 277.55216 0 3763.6771 7.9673845
4300 18865.367 269.84013 0 3763.4266 -3.5057357
4350 18873.642 268.1837 0 3763.3026 -1.7780136
4400 18916.382 260.35702 0 3763.3908 6.8447807
4450 19712.893 112.94768 0 3763.4834 2.0240342
4500 14398.025 1098.0138 0 3764.3148 10.385478
4550 20022.067 55.986279 0 3763.7765 4.4810795
4600 19180.928 211.60561 0 3763.6293 0.30988185
4650 19971.505 65.490271 0 3763.9172 -10.108697
4700 19829.97 91.602773 0 3763.8194 -0.40679921
4750 19246.766 199.64331 0 3763.8593 -1.2506428
4800 19631.666 128.40837 0 3763.902 -2.040334
4850 19947.67 70.094361 0 3764.1073 -0.78294536
4900 19465.259 159.54674 0 3764.2242 -4.9676397
4950 17477.587 527.80906 0 3764.3993 14.21063
5000 20084.743 44.912413 0 3764.3094 -2.1726035
5050 17272.98 565.5041 0 3764.2042 -9.5226681
5100 19781.281 100.98301 0 3764.1832 1.8979179
5150 17633.952 498.58541 0 3764.1321 13.595063
5200 19610.188 132.81351 0 3764.3297 -2.8574796
5250 19519.474 149.381 0 3764.0985 0.34060773
5300 18714.208 298.54457 0 3764.1386 4.0211125
5350 19134.687 220.83624 0 3764.2968 6.6237377
5400 18379.28 360.44805 0 3764.0185 4.259352
5450 15537.658 886.81447 0 3764.1586 20.286717
5500 19533.983 146.53005 0 3763.9344 -6.5895297
5550 18959.278 253.13334 0 3764.1108 5.7507497
5600 19132.581 221.01922 0 3764.0898 2.7244388
5650 17943.188 441.39829 0 3764.2109 8.0028833
5700 17548.004 514.31011 0 3763.9406 2.2500386
5750 18131.629 406.4959 0 3764.205 5.2965619
5800 18853.962 271.8568 0 3763.3312 -1.7826489
5850 19833.936 91.028067 0 3763.9792 -1.9914832
5900 19690.909 117.60196 0 3764.0665 5.6772373
5950 18757.783 290.52181 0 3764.1853 5.8206362
6000 17998.199 431.27274 0 3764.2725 0.083704718
6050 18502.246 337.39216 0 3763.734 3.3273079
6100 20089.48 44.192378 0 3764.4664 0.68769167
6150 20017.292 57.474329 0 3764.3803 -3.3015592
6200 18928.553 259.01047 0 3764.2981 0.23705671
6250 20092.994 43.38052 0 3764.3053 -1.5299825
6300 19166.273 214.9146 0 3764.2243 -10.477528
6350 20184.081 26.406542 0 3764.1993 0.70992951
6400 19936.269 72.125456 0 3764.027 4.547003
6450 19426.521 166.55133 0 3764.0552 11.632463
6500 16977.51 621.49704 0 3765.4804 11.786242
6550 20135.186 35.324124 0 3764.0623 -0.16522965
6600 19606.614 132.91803 0 3763.7725 -0.61848508
6650 18309.085 373.80514 0 3764.3765 -1.7012386
6700 19975.746 64.76507 0 3763.9772 -1.5629614
6750 19007.784 244.00603 0 3763.9661 6.9564316
6800 19789.033 99.121949 0 3763.7576 -2.2131506
6850 18882.807 266.99644 0 3763.8126 2.4030624
6900 19391.989 172.92061 0 3764.0297 -1.5324267
6950 18629.076 314.26692 0 3764.0959 -4.1954944
7000 19808.66 95.779871 0 3764.0503 -1.3370578
7050 18887.077 266.02979 0 3763.6367 2.774529
7100 18580.757 322.65858 0 3763.5395 -2.1890265
7150 16163.557 770.98499 0 3764.2363 20.131822
7200 19186.484 210.55048 0 3763.6031 -0.89301479
7250 20029.759 54.832558 0 3764.0472 2.3684305
7300 19261.729 197.02825 0 3764.0151 2.8701583
7350 19164.529 214.95337 0 3763.9402 8.0231456
7400 19800.742 97.184346 0 3763.9885 3.993226
7450 19816.878 94.252523 0 3764.0447 1.4394826
7500 19614.542 131.7474 0 3764.0701 6.1725294
7550 19639.188 127.26814 0 3764.1547 9.0025265
7600 17857.045 457.8061 0 3764.6663 7.9940245
7650 19476.582 157.57506 0 3764.3496 -5.4364947
7700 19178.69 212.93777 0 3764.5471 -5.9629802
7750 19881.136 82.821376 0 3764.5132 -8.3396437
7800 18361.619 364.22947 0 3764.5293 -4.5390987
7850 19681.473 119.75558 0 3764.4729 -0.74705901
7900 19146.391 218.84806 0 3764.4761 -1.5368503
7950 19015.66 242.97309 0 3764.3916 3.3627424
8000 18953.108 254.65237 0 3764.4871 -0.80075758
8050 18394.217 356.97127 0 3763.3078 12.192418
8100 20003.88 60.047797 0 3764.4699 1.7147703
8150 18837.189 276.08871 0 3764.4571 -4.7061952
8200 18490.393 339.89616 0 3764.0431 8.0876507
8250 18934.911 258.01382 0 3764.4789 -2.2722023
8300 18992.532 247.22587 0 3764.3614 -5.5757488
8350 18734.381 294.85715 0 3764.187 -1.6784471
8400 19096.231 227.81027 0 3764.1493 5.0013345
8450 18122.103 408.1265 0 3764.0716 0.29367221
8500 18456.948 345.89622 0 3763.8496 -1.2953924
8550 16179.751 768.08513 0 3764.3354 -15.783038
8600 19701.886 115.3429 0 3763.8404 -6.1300317
8650 19780.208 100.82835 0 3763.8298 0.93136385
8700 18515.649 335.16403 0 3763.988 10.678559
8750 17012.98 613.44187 0 3763.9937 12.4263
8800 17036.007 609.07499 0 3763.891 5.3177704
8850 19101.348 226.51778 0 3763.8045 -2.726039
8900 17986.965 431.79479 0 3762.7143 -4.4254578
8950 19880.063 82.363637 0 3763.8567 1.5026042
9000 19828.576 92.071674 0 3764.0302 -1.7569687
9050 19721.773 111.92169 0 3764.1018 -3.0171895
9100 17390.413 543.64757 0 3764.0944 5.3417629
9150 19364.081 177.94004 0 3763.881 6.3844136
9200 16827.754 644.56015 0 3760.8109 5.0809124
9250 17426.564 536.70058 0 3763.842 18.414202
9300 19937.674 71.616041 0 3763.7778 -0.94895536
9350 18256.386 383.04188 0 3763.854 6.0361903
9400 19219.405 204.62722 0 3763.7762 1.1760521
9450 19410.161 169.19165 0 3763.6659 -2.8855494
9500 18347.623 365.56603 0 3763.274 5.0517322
9550 15380.886 915.82705 0 3764.1393 -4.7478422
9600 18171.855 398.91387 0 3764.0721 4.9262284
9650 19654.551 124.46991 0 3764.2016 -5.107423
9700 18617.556 316.25119 0 3763.9468 2.1271053
9750 19582.424 137.92448 0 3764.2992 2.0390597
9800 19779.785 101.3667 0 3764.2899 0.35055578
9850 19505.552 152.25257 0 3764.3919 -6.1300408
9900 19673.685 121.19565 0 3764.4706 -3.5337791
9950 19555.722 142.8602 0 3764.2902 -8.3414781
10000 19032.018 239.75987 0 3764.2076 -1.413483
Loop time of 7.50411 on 1 procs for 10000 steps with 81 atoms
Pair time (%) = 0.207226 (2.7615)
Neigh time (%) = 0.092211 (1.22881)
Comm time (%) = 0.0210001 (0.279849)
Outpt time (%) = 0.0277221 (0.369426)
Other time (%) = 7.15595 (95.3604)
Nlocal: 81 ave 81 max 81 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 69 ave 69 max 69 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 617 ave 617 max 617 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 617
Ave neighs/atom = 7.61728
Neighbor list builds = 994
Dangerous builds = 957

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

@ -0,0 +1,307 @@
LAMMPS (5 Oct 2007)
# Simple rigid body system
units lj
atom_style atomic
pair_style lj/cut 2.5
read_data data.rigid
orthogonal box = (-12 -12 -12) to (12 12 12)
1 by 2 by 2 processor grid
81 atoms
velocity all create 100.0 4928459
# unconnected bodies
#group clump1 id <> 1 9
#group clump2 id <> 10 18
#group clump3 id <> 19 27
#group clump4 id <> 28 36
#group clump5 id <> 37 45
#group clump6 id <> 46 54
#group clump7 id <> 55 63
#group clump8 id <> 64 72
#group clump9 id <> 73 81
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 1 chain of connected bodies
#group clump1 id <> 1 9
#group clump2 id <> 9 18
#group clump3 id <> 18 27
#group clump4 id <> 27 36
#group clump5 id <> 36 45
#group clump6 id <> 45 54
#group clump7 id <> 54 63
#group clump8 id <> 63 72
#group clump9 id <> 72 81
#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 2 chains of connected bodies
group clump1 id <> 1 9
9 atoms in group clump1
group clump2 id <> 9 18
10 atoms in group clump2
group clump3 id <> 18 27
10 atoms in group clump3
group clump4 id <> 27 36
10 atoms in group clump4
group clump5 id <> 37 45
9 atoms in group clump5
group clump6 id <> 45 54
10 atoms in group clump6
group clump7 id <> 54 63
10 atoms in group clump7
group clump8 id <> 63 72
10 atoms in group clump8
group clump9 id <> 72 81
10 atoms in group clump9
fix 1 all poems group clump1 clump2 clump3 clump4
1 clusters, 4 bodies, 3 joints, 36 atoms
fix 2 all poems group clump5 clump6 clump7 clump8 clump9
1 clusters, 5 bodies, 4 joints, 45 atoms
neigh_modify exclude group clump1 clump1
neigh_modify exclude group clump2 clump2
neigh_modify exclude group clump3 clump3
neigh_modify exclude group clump4 clump4
neigh_modify exclude group clump5 clump5
neigh_modify exclude group clump6 clump6
neigh_modify exclude group clump7 clump7
neigh_modify exclude group clump8 clump8
neigh_modify exclude group clump9 clump9
thermo 100
dump 1 all atom 50 dump.rigid
timestep 0.0001
thermo 50
run 10000
Memory usage per processor = 1.66757 Mbytes
Step Temp E_pair E_mol TotEng Press
0 196.00047 3632.2347 0 3668.5311 -2.7403788
50 12167.633 1505.5478 0 3758.8133 35.125973
100 17556.978 512.66277 0 3763.9549 11.137534
150 19579.586 138.04942 0 3763.8987 -29.953971
200 19757.51 105.30542 0 3764.1036 -0.030645317
250 18218.374 390.10747 0 3763.8804 13.711001
300 19383.039 174.40688 0 3763.8586 5.7240693
350 20125.986 36.972611 0 3764.0071 1.9559205
400 18888.816 266.10975 0 3764.0386 9.6362168
450 19307.656 188.2511 0 3763.743 1.9326206
500 16331.197 738.56392 0 3762.8597 9.1715579
550 19318.722 186.16172 0 3763.7027 3.0115336
600 19455.268 161.20621 0 3764.0336 0.55208034
650 18487.011 340.03216 0 3763.5528 -8.0359122
700 17321.201 556.32471 0 3763.9545 -13.631751
750 18979.187 249.04389 0 3763.7082 -2.6072455
800 19342.456 181.85552 0 3763.7918 8.1918726
850 19070.641 232.19342 0 3763.7936 7.3148472
900 19478.873 156.65987 0 3763.8586 2.4284987
950 19912.415 76.437437 0 3763.9216 -1.4667227
1000 16003.749 802.39753 0 3766.0548 46.642188
1050 19859.583 86.64176 0 3764.3424 -2.1961943
1100 19229.575 203.61488 0 3764.6473 -10.632365
1150 18821.6 279.15861 0 3764.64 -0.89495035
1200 19392.695 173.59744 0 3764.8373 1.8508753
1250 16459.624 717.32104 0 3765.3995 33.478127
1300 19343.863 182.59043 0 3764.7874 0.75890736
1350 20019.643 57.503573 0 3764.8448 0.31444671
1400 18549.582 329.31436 0 3764.4221 10.738303
1450 15163.926 957.47584 0 3765.6103 -17.923459
1500 19223.688 204.15173 0 3764.0939 -1.6134533
1550 18147.996 404.12676 0 3764.8668 8.4194777
1600 18615.043 317.42467 0 3764.6548 -2.3288946
1650 20120.654 38.887921 0 3764.935 -8.762026
1700 19450.907 162.98278 0 3765.0025 2.3254718
1750 19374.632 177.37959 0 3765.2744 8.9328776
1800 19424.403 167.93969 0 3765.0514 0.081232329
1850 17936.282 442.8362 0 3764.3699 6.6009729
1900 19982.596 64.40613 0 3764.8868 -2.9529967
1950 16215.904 761.90316 0 3764.8484 13.994458
2000 18584.405 322.1235 0 3763.68 7.165446
2050 20107.966 41.025691 0 3764.723 -0.3109207
2100 20002.34 60.591745 0 3764.7288 -6.7919639
2150 16949.68 626.61132 0 3765.441 3.5092215
2200 20010.952 58.808395 0 3764.5403 -10.862215
2250 18982.727 247.0094 0 3762.3292 -0.53801024
2300 18401.329 354.87401 0 3762.5275 1.0919825
2350 19390.509 172.94434 0 3763.7793 -3.3525766
2400 16081.279 786.29986 0 3764.3144 -16.198999
2450 18870.586 268.71771 0 3763.2706 11.19479
2500 19687.968 117.64184 0 3763.5619 4.3854981
2550 18871.552 268.652 0 3763.3839 -5.6598123
2600 17018.095 611.94054 0 3763.4396 6.3151274
2650 18759.886 289.83493 0 3763.8878 2.4039285
2700 19740.164 107.62639 0 3763.2122 -0.31805782
2750 19516.266 149.31294 0 3763.4362 -1.6224242
2800 18358.662 362.49198 0 3762.2443 21.770839
2850 18467.52 343.09706 0 3763.0082 4.342304
2900 20135.574 34.417701 0 3763.2277 0.8588441
2950 15515.162 889.21195 0 3762.3902 14.080583
3000 17723.38 481.44112 0 3763.5486 14.722181
3050 18381.135 359.45826 0 3763.3721 9.9835574
3100 18332.511 367.78445 0 3762.694 -7.3886742
3150 18614.425 316.1034 0 3763.2192 -7.74568
3200 19729.936 109.5559 0 3763.2478 -7.7288763
3250 19571.827 138.77853 0 3763.1909 5.3260642
3300 19186.831 210.15319 0 3763.2701 7.0964241
3350 19051.087 235.32511 0 3763.3042 7.0039984
3400 17984.107 432.92585 0 3763.316 19.525709
3450 19816.121 93.469153 0 3763.1212 0.93406105
3500 16116.964 778.79932 0 3763.4223 -16.392874
3550 18360.791 362.73696 0 3762.8834 -1.6393592
3600 17932.917 442.36364 0 3763.2742 -4.5282005
3650 19361.767 177.4835 0 3762.996 2.9535353
3700 16171.192 768.93741 0 3763.6026 13.746643
3750 20139.436 33.882035 0 3763.4072 -3.2396345
3800 18828.356 276.44957 0 3763.1821 2.0167175
3850 19014.023 242.34928 0 3763.4646 2.3037896
3900 19034.919 238.55055 0 3763.5356 4.6417259
3950 19853.566 86.934921 0 3763.5211 4.020036
4000 17410.693 538.34577 0 3762.5482 17.937275
4050 18207.896 391.06826 0 3762.9008 -13.757726
4100 18748.708 290.98835 0 3762.9713 6.8943352
4150 19092.604 227.91853 0 3763.5859 -12.012562
4200 19018.091 241.36001 0 3763.2286 -9.5160387
4250 18553.516 326.97602 0 3762.8124 5.1024293
4300 19542.465 144.55553 0 3763.5304 -0.97016723
4350 19572.434 138.77149 0 3763.2962 9.1238295
4400 18083.797 413.92688 0 3762.7782 17.661884
4450 17781.707 470.15252 0 3763.0613 -1.3908584
4500 19262.581 196.41226 0 3763.5569 5.074293
4550 18806.096 280.69738 0 3763.3077 5.9144884
4600 19517.266 149.26286 0 3763.5713 -4.2465886
4650 19293.839 190.60331 0 3763.5364 3.9562273
4700 20020.726 55.972466 0 3763.5143 -2.3803598
4750 16849.887 643.26477 0 3763.6142 -2.8239991
4800 19467.28 158.31839 0 3763.3703 1.9307755
4850 16085.83 784.93021 0 3763.7876 16.475843
4900 18548.452 328.61463 0 3763.5132 3.695187
4950 19562.121 140.7768 0 3763.3918 1.6766545
5000 19780.594 100.31445 0 3763.3874 -0.92620318
5050 19194.995 208.38129 0 3763.0101 0.26783276
5100 19733.961 109.06337 0 3763.5006 0.27826035
5150 18843.5 273.87259 0 3763.4096 -3.5972982
5200 18267.619 380.45635 0 3763.3487 -5.2213257
5250 19901.908 77.638143 0 3763.1766 1.3122552
5300 20082.057 44.306706 0 3763.2061 -2.4604467
5350 20193.276 23.761629 0 3763.2572 -8.4318408
5400 18586.333 321.21055 0 3763.1241 5.4145024
5450 19648.659 124.63315 0 3763.2737 6.4549249
5500 18019.685 426.28948 0 3763.2682 12.7881
5550 19413.24 168.33551 0 3763.3799 7.3958351
5600 19829.59 91.368789 0 3763.5152 0.83457152
5650 19599.629 133.95295 0 3763.5139 -9.1316761
5700 18892.535 264.75128 0 3763.369 -8.4630056
5750 17332.055 553.8539 0 3763.4937 5.5764294
5800 18937.996 256.27604 0 3763.3124 -1.7680836
5850 18935.096 256.66743 0 3763.1666 2.7990463
5900 19246.314 198.58541 0 3762.7177 -10.18878
5950 19064.902 232.27842 0 3762.8159 5.896414
6000 18910.575 261.01328 0 3762.9717 11.211577
6050 18241.651 385.42117 0 3763.5047 6.2473395
6100 18371.637 361.13935 0 3763.2943 -8.1327668
6150 19597.492 134.3395 0 3763.5046 -2.844692
6200 18966.681 251.14795 0 3763.4964 4.0508771
6250 19725.66 110.57417 0 3763.4742 2.8923514
6300 19777.698 100.81204 0 3763.3488 1.6114823
6350 19512.324 149.87637 0 3763.2697 4.204974
6400 19608.358 132.09749 0 3763.2749 -1.7418241
6450 17294.29 560.94783 0 3763.594 6.4084803
6500 19897.266 78.81475 0 3763.4937 2.7043995
6550 17650.208 494.91299 0 3763.47 9.0439806
6600 19516.97 148.97877 0 3763.2325 0.47517513
6650 19161.653 214.9208 0 3763.3751 4.8336255
6700 18546.409 328.71595 0 3763.2361 -1.1258231
6750 19722.205 111.08053 0 3763.3407 -2.6690388
6800 18160.917 400.39781 0 3763.5306 -2.1321021
6850 18985.132 247.45871 0 3763.2239 -3.0257594
6900 18197.845 393.27161 0 3763.2429 -6.2849136
6950 19292.948 190.70428 0 3763.4724 -0.2746822
7000 18162.705 400.08758 0 3763.5514 8.1392322
7050 19144.658 217.17351 0 3762.4805 6.3830626
7100 19859.481 86.004196 0 3763.6858 4.4029967
7150 19951.114 68.976177 0 3763.6269 -2.4961326
7200 18690.673 302.37196 0 3763.6077 -4.5634051
7250 20072.267 46.64976 0 3763.7362 -2.9234817
7300 19802.31 96.566103 0 3763.6606 -9.673373
7350 18934.789 257.39289 0 3763.8353 10.242735
7400 18132.763 406.2528 0 3764.1719 21.985476
7450 18809.496 279.90667 0 3763.1467 6.5415215
7500 18603.778 318.26876 0 3763.4129 2.2139465
7550 18825.588 277.13979 0 3763.3597 -8.5836021
7600 19863.494 85.234785 0 3763.6596 -4.9490306
7650 19733.526 109.19856 0 3763.5553 -2.8842968
7700 18842.988 274.07168 0 3763.514 6.5090605
7750 17967.229 435.79419 0 3763.0589 1.5454881
7800 19986.174 62.478642 0 3763.622 -4.3975451
7850 19183.467 210.70932 0 3763.2032 7.2232158
7900 19165.788 214.39645 0 3763.6164 -1.9936671
7950 17850.792 456.65446 0 3762.3568 4.9920751
8000 17416.367 538.20465 0 3763.4578 8.3712154
8050 17539.364 515.49314 0 3763.5234 5.7983722
8100 19599.458 134.08169 0 3763.611 0.050190112
8150 18451.124 346.51477 0 3763.3896 -0.31971187
8200 19520.289 148.79661 0 3763.665 -0.37655235
8250 18009.726 428.65646 0 3763.791 12.334752
8300 19254.468 198.35776 0 3763.9999 3.2780544
8350 18543.206 330.18375 0 3764.1108 -0.14397952
8400 19089.565 229.03143 0 3764.136 2.2146135
8450 19826.77 92.517057 0 3764.1412 -1.5295739
8500 19290.72 191.90153 0 3764.257 1.2067524
8550 19990.535 62.347576 0 3764.2985 -5.2756748
8600 18996.842 246.29087 0 3764.2245 -4.2702662
8650 19568.365 140.45016 0 3764.2214 -1.4459497
8700 17391.521 543.55339 0 3764.2054 7.3055993
8750 17441.338 534.55054 0 3764.4279 12.058068
8800 17407.234 539.71642 0 3763.2783 11.370921
8850 18475.444 342.68821 0 3764.0668 7.3418663
8900 19342.369 182.1774 0 3764.0975 -1.9970867
8950 19702.979 115.34039 0 3764.0403 -6.6636478
9000 18338.553 367.40177 0 3763.43 8.660833
9050 19679.575 119.49987 0 3763.8655 6.3155352
9100 19713.615 113.2394 0 3763.9089 -5.0522536
9150 19607.616 132.85782 0 3763.8978 -12.125813
9200 18353.903 365.0693 0 3763.9402 5.1311422
9250 19350.537 180.214 0 3763.6467 5.2774343
9300 19829.13 91.74226 0 3763.8033 -8.7056377
9350 19654.14 124.18492 0 3763.8404 2.0534892
9400 19563.326 140.83247 0 3763.6707 -1.7296208
9450 19015.606 242.32448 0 3763.733 5.2722326
9500 15616.381 871.90619 0 3763.8286 1.4607769
9550 19642.243 126.36686 0 3763.8192 1.0069869
9600 19243.455 200.00678 0 3763.6096 -6.9217991
9650 18799.751 282.4098 0 3763.8452 6.3838404
9700 18467.275 344.23145 0 3764.0971 15.574307
9750 20096.449 42.195403 0 3763.76 -3.1646504
9800 18150.948 403.04589 0 3764.3326 7.115992
9850 17178.232 582.7442 0 3763.8982 0.12709213
9900 18993.157 246.62084 0 3763.8722 -0.99468489
9950 17654.373 494.73751 0 3764.0658 -7.2917465
10000 17814.181 464.92441 0 3763.8468 6.3263397
Loop time of 12.2379 on 4 procs for 10000 steps with 81 atoms
Pair time (%) = 0.0627404 (0.512674)
Neigh time (%) = 0.0298207 (0.243675)
Comm time (%) = 3.19585 (26.1144)
Outpt time (%) = 0.162907 (1.33117)
Other time (%) = 8.78656 (71.7981)
Nlocal: 20.25 ave 43 max 0 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Nghost: 17.25 ave 41 max 2 min
Histogram: 2 0 0 0 0 1 0 0 0 1
Neighs: 181.25 ave 467 max 0 min
Histogram: 2 0 0 0 0 1 0 0 0 1
Total # of neighbors = 725
Ave neighs/atom = 8.95062
Neighbor list builds = 993
Dangerous builds = 953