git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@299 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
@ -1,4 +1,4 @@
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LAMMPS (1 Oct 2006)
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LAMMPS (12 Feb 2007)
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# Simple rigid body system
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|
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units lj
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||||
@ -284,13 +284,13 @@ Step Temp E_pair E_mol TotEng Press
|
||||
9900 16738.489 -0.00024984559 0 5269.5242 11.395085
|
||||
9950 16738.49 0 0 5269.5245 11.395076
|
||||
10000 16738.49 0 0 5269.5246 11.395075
|
||||
Loop time of 1.69721 on 4 procs for 10000 steps with 81 atoms
|
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Loop time of 1.86143 on 4 procs for 10000 steps with 81 atoms
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||||
|
||||
Pair time (%) = 0.0132074 (0.77818)
|
||||
Neigh time (%) = 0.023569 (1.38869)
|
||||
Comm time (%) = 1.089 (64.164)
|
||||
Outpt time (%) = 0.0916764 (5.40158)
|
||||
Other time (%) = 0.479761 (28.2676)
|
||||
Pair time (%) = 0.0128456 (0.690097)
|
||||
Neigh time (%) = 0.0243435 (1.30779)
|
||||
Comm time (%) = 1.21756 (65.4102)
|
||||
Outpt time (%) = 0.102895 (5.52778)
|
||||
Other time (%) = 0.503778 (27.0641)
|
||||
|
||||
Nlocal: 20.25 ave 38 max 3 min
|
||||
Histogram: 1 0 1 0 0 0 1 0 0 1
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||||
@ -1,4 +1,4 @@
|
||||
LAMMPS (1 Oct 2006)
|
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LAMMPS (12 Feb 2007)
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# Simple rigid body system
|
||||
|
||||
units lj
|
||||
@ -284,13 +284,13 @@ Step Temp E_pair E_mol TotEng Press
|
||||
9900 16738.489 -0.00024984554 0 5269.5242 11.395085
|
||||
9950 16738.49 0 0 5269.5245 11.395076
|
||||
10000 16738.49 0 0 5269.5246 11.395075
|
||||
Loop time of 0.887339 on 1 procs for 10000 steps with 81 atoms
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Loop time of 0.851031 on 1 procs for 10000 steps with 81 atoms
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|
||||
Pair time (%) = 0.076566 (8.62872)
|
||||
Neigh time (%) = 0.130989 (14.762)
|
||||
Comm time (%) = 0.105157 (11.8508)
|
||||
Outpt time (%) = 0.116808 (13.1639)
|
||||
Other time (%) = 0.457819 (51.5946)
|
||||
Pair time (%) = 0.071532 (8.40533)
|
||||
Neigh time (%) = 0.117486 (13.8051)
|
||||
Comm time (%) = 0.108591 (12.7599)
|
||||
Outpt time (%) = 0.133537 (15.6912)
|
||||
Other time (%) = 0.419885 (49.3384)
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||||
|
||||
Nlocal: 81 ave 81 max 81 min
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||||
Histogram: 1 0 0 0 0 0 0 0 0 0
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||||
@ -1,4 +1,4 @@
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LAMMPS (1 Oct 2006)
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LAMMPS (12 Feb 2007)
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# Simple rigid body system
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|
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units lj
|
||||
@ -284,13 +284,13 @@ Step Temp E_pair E_mol TotEng Press
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||||
9900 19393.195 452.88226 0 3685.0814 1.4304574
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||||
9950 17226.824 814.05288 0 3685.1902 19.353254
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||||
10000 20630.15 245.97222 0 3684.3306 0.61583151
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||||
Loop time of 16.5532 on 4 procs for 10000 steps with 81 atoms
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Loop time of 16.4503 on 4 procs for 10000 steps with 81 atoms
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||||
|
||||
Pair time (%) = 0.12595 (0.760878)
|
||||
Neigh time (%) = 0.0543506 (0.328338)
|
||||
Comm time (%) = 1.67897 (10.1428)
|
||||
Outpt time (%) = 0.0939289 (0.567436)
|
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Other time (%) = 14.6 (88.2005)
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Pair time (%) = 0.123495 (0.750712)
|
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Neigh time (%) = 0.0552313 (0.335746)
|
||||
Comm time (%) = 1.68884 (10.2663)
|
||||
Outpt time (%) = 0.101621 (0.617742)
|
||||
Other time (%) = 14.4811 (88.0295)
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||||
|
||||
Nlocal: 20.25 ave 74 max 0 min
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||||
Histogram: 3 0 0 0 0 0 0 0 0 1
|
||||
305
examples/rigid/log.rigid.poems.12Feb07.linux.1
Normal file
305
examples/rigid/log.rigid.poems.12Feb07.linux.1
Normal file
@ -0,0 +1,305 @@
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LAMMPS (12 Feb 2007)
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# Simple rigid body system
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||||
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units lj
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||||
atom_style atomic
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pair_style lj/cut 2.5
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read_data data.rigid
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1 by 1 by 1 processor grid
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81 atoms
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velocity all create 100.0 4928459
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# unconnected bodies
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#group clump1 id <> 1 9
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#group clump2 id <> 10 18
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#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
|
||||
|
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#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
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|
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# 1 chain of connected bodies
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||||
|
||||
group clump1 id <> 1 9
|
||||
9 atoms in group clump1
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||||
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
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1 clusters, 9 bodies, 8 joints, 81 atoms
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||||
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# 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
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|
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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
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||||
|
||||
timestep 0.0001
|
||||
thermo 50
|
||||
run 10000
|
||||
Memory usage per processor = 1.50473 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press
|
||||
0 217.7783 3430.3907 0 3466.6871 -2.7403788
|
||||
50 13679.637 1404.2468 0 3684.1863 12.446066
|
||||
100 16777.225 888.87665 0 3685.0808 -31.828677
|
||||
150 19595.365 418.45042 0 3684.3446 40.709078
|
||||
200 18524.188 596.47273 0 3683.8375 -0.8159371
|
||||
250 21015.789 180.96521 0 3683.5967 -10.042469
|
||||
300 20785.513 219.25314 0 3683.5053 2.6452719
|
||||
350 21072.46 171.2554 0 3683.3321 7.0609024
|
||||
400 19956.414 356.36381 0 3682.4328 19.320259
|
||||
450 20724.42 227.73284 0 3681.8028 8.1259249
|
||||
500 20152.578 322.71466 0 3681.4777 5.4929878
|
||||
550 20017.022 345.29701 0 3681.4673 5.4661666
|
||||
600 17897.743 698.72196 0 3681.6791 3.2854742
|
||||
650 17297.758 796.60256 0 3679.5623 15.191113
|
||||
700 18581.934 584.29715 0 3681.2861 5.1588289
|
||||
750 21774.158 52.821062 0 3681.8474 -10.775664
|
||||
800 21604.055 81.188546 0 3681.8644 -3.2045743
|
||||
850 17821.483 711.53827 0 3681.7854 7.4384277
|
||||
900 21033.292 175.98127 0 3681.5299 -16.345167
|
||||
950 20968.166 186.59847 0 3681.2929 -2.330456
|
||||
1000 20490.66 266.19375 0 3681.3037 11.787983
|
||||
1050 20222.396 310.94072 0 3681.34 -8.3459539
|
||||
1100 21321.687 127.61533 0 3681.2299 -1.2184717
|
||||
1150 20849.582 206.01695 0 3680.9472 -0.86699156
|
||||
1200 21815.003 45.317415 0 3681.1512 1.5988314
|
||||
1250 18655.437 572.41453 0 3681.654 10.064077
|
||||
1300 20780.781 217.36506 0 3680.8286 6.053862
|
||||
1350 20558.972 254.36481 0 3680.8601 -3.6773966
|
||||
1400 21485.029 99.812935 0 3680.6511 -16.185472
|
||||
1450 21771.107 52.159605 0 3680.6775 -2.4756675
|
||||
1500 21520.948 93.503934 0 3680.3286 2.1023577
|
||||
1550 21351.418 121.68138 0 3680.2511 5.5159957
|
||||
1600 20778.805 216.92176 0 3680.0559 15.089186
|
||||
1650 21477.638 100.2183 0 3679.8247 -1.1045812
|
||||
1700 18501.341 596.47889 0 3680.0357 -15.67966
|
||||
1750 18563.642 587.34786 0 3681.2882 33.532195
|
||||
1800 19110.187 494.82315 0 3679.8543 18.024044
|
||||
1850 21364.193 119.2351 0 3679.9339 2.5291255
|
||||
1900 20146.632 322.14766 0 3679.9197 5.7312569
|
||||
1950 20692.671 231.25335 0 3680.0319 4.2977718
|
||||
2000 20943.904 189.1123 0 3679.7629 -22.645328
|
||||
2050 19668.094 401.82367 0 3679.8394 3.625351
|
||||
2100 20280.495 299.75279 0 3679.8352 7.4808501
|
||||
2150 19181.964 483.50484 0 3680.4989 22.618437
|
||||
2200 21300.002 130.73207 0 3680.7324 4.7107204
|
||||
2250 20487.278 266.58364 0 3681.13 -8.6436788
|
||||
2300 18653.922 572.11506 0 3681.102 -5.2650803
|
||||
2350 21513.162 95.675284 0 3681.2022 -9.358275
|
||||
2400 21466.87 103.46516 0 3681.2768 -29.576898
|
||||
2450 20098.852 332.48096 0 3682.2896 35.802574
|
||||
2500 20763.224 221.86356 0 3682.401 -12.492465
|
||||
2550 20425.308 278.04709 0 3682.265 -22.360414
|
||||
2600 21467.742 104.32441 0 3682.2815 -10.062558
|
||||
2650 20774.17 220.00066 0 3682.3623 5.2193436
|
||||
2700 18569.233 587.73881 0 3682.6109 22.145192
|
||||
2750 20654.466 239.78519 0 3682.1961 -6.9106068
|
||||
2800 20814.792 213.06343 0 3682.1954 -6.9316614
|
||||
2850 16353.471 956.9648 0 3682.5433 34.229058
|
||||
2900 19519.089 429.00752 0 3682.189 8.7072031
|
||||
2950 20171.665 320.18684 0 3682.1309 2.7223515
|
||||
3000 20470.108 270.26106 0 3681.9457 -8.2674499
|
||||
3050 20359.511 288.83368 0 3682.0856 -4.69092
|
||||
3100 19856.099 372.69336 0 3682.0432 9.3653131
|
||||
3150 20561.401 254.89391 0 3681.794 6.7807193
|
||||
3200 18974.717 519.59328 0 3682.0462 14.028207
|
||||
3250 17201.03 816.05668 0 3682.895 30.827229
|
||||
3300 21032.748 176.57229 0 3682.0304 -8.8776478
|
||||
3350 17299.203 798.82174 0 3682.0222 -6.5474977
|
||||
3400 16871.128 870.67484 0 3682.5295 -23.235008
|
||||
3450 19319.303 462.06051 0 3681.9443 -11.811901
|
||||
3500 17860.126 705.48294 0 3682.1705 -15.992033
|
||||
3550 21874.357 36.186306 0 3681.9124 -2.4098493
|
||||
3600 21393.595 116.22067 0 3681.8199 -10.262929
|
||||
3650 20544.718 257.71089 0 3681.8306 0.55484185
|
||||
3700 20330.417 293.63761 0 3682.0404 16.661746
|
||||
3750 21244.461 141.09081 0 3681.8343 4.9615754
|
||||
3800 19958.592 355.64853 0 3682.0806 13.979713
|
||||
3850 21497.423 98.927167 0 3681.8309 -6.621684
|
||||
3900 21769.359 53.67612 0 3681.9026 -1.926207
|
||||
3950 19975.772 352.52452 0 3681.8198 9.245817
|
||||
4000 21113.483 163.03078 0 3681.9446 2.7569744
|
||||
4050 19709.067 397.27579 0 3682.1202 -3.0811456
|
||||
4100 21815.578 46.077634 0 3682.0073 -12.520188
|
||||
4150 21642.428 74.997052 0 3682.0685 -1.1460009
|
||||
4200 19928.01 360.19492 0 3681.53 8.857095
|
||||
4250 17863.117 703.82283 0 3681.009 33.346649
|
||||
4300 20382.848 284.9686 0 3682.1099 -7.0563493
|
||||
4350 21589.546 83.691599 0 3681.9492 -6.3466935
|
||||
4400 21561.341 88.259907 0 3681.8167 -0.05858595
|
||||
4450 19016.303 512.39829 0 3681.7821 43.125503
|
||||
4500 20065.798 337.40858 0 3681.7083 1.7677159
|
||||
4550 19263.771 471.03594 0 3681.6644 -23.462523
|
||||
4600 20845.688 207.74162 0 3682.023 0.16598388
|
||||
4650 19646.643 407.84353 0 3682.2841 11.884842
|
||||
4700 20692.329 233.43094 0 3682.1524 -14.265029
|
||||
4750 17999.182 682.2895 0 3682.1531 -25.09426
|
||||
4800 20585.117 251.43776 0 3682.2906 10.111397
|
||||
4850 19368.488 453.98051 0 3682.0618 6.199069
|
||||
4900 20416.868 279.66263 0 3682.474 7.5050136
|
||||
4950 21376.045 119.55597 0 3682.2302 -9.6343892
|
||||
5000 21346.337 124.42913 0 3682.1519 -3.6930357
|
||||
5050 19787.72 384.70087 0 3682.6542 -5.855159
|
||||
5100 20440.061 275.27592 0 3681.9528 1.7528745
|
||||
5150 15625.189 1079.1543 0 3683.3525 19.539205
|
||||
5200 20308.779 297.80498 0 3682.6014 8.9223119
|
||||
5250 21044.849 175.43646 0 3682.9113 5.2785373
|
||||
5300 20543.584 258.744 0 3682.6747 1.2007699
|
||||
5350 21171.39 154.69163 0 3683.2566 -12.896011
|
||||
5400 19626.405 409.45045 0 3680.518 16.150799
|
||||
5450 20550.071 258.26489 0 3683.2766 -21.262685
|
||||
5500 19104.84 499.01387 0 3683.1539 11.949545
|
||||
5550 19559.267 422.41448 0 3682.2923 3.8829356
|
||||
5600 20044.332 342.61709 0 3683.3391 -1.7700503
|
||||
5650 21953.27 25.016694 0 3683.8951 -22.754979
|
||||
5700 21639.986 77.352619 0 3684.017 -15.578393
|
||||
5750 21144.414 159.81932 0 3683.8884 -9.0956708
|
||||
5800 19267.59 472.68582 0 3683.9509 12.517057
|
||||
5850 21221.184 146.53726 0 3683.4012 -0.35975116
|
||||
5900 21141.226 159.83342 0 3683.371 0.79471018
|
||||
5950 20417.806 280.84037 0 3683.808 -4.380384
|
||||
6000 15946.467 1025.7528 0 3683.4973 -2.9233738
|
||||
6050 20307.785 299.10545 0 3683.7362 -7.6865743
|
||||
6100 18110.389 663.98174 0 3682.3799 4.1591862
|
||||
6150 19958.364 357.9562 0 3684.3502 0.64161306
|
||||
6200 18283.091 637.04273 0 3684.2246 1.3409324
|
||||
6250 17081.956 837.9693 0 3684.962 -6.7113704
|
||||
6300 21382.883 120.98513 0 3684.7989 -13.987822
|
||||
6350 19952.702 359.01391 0 3684.4642 6.3550454
|
||||
6400 20832.557 212.50673 0 3684.5995 -1.5787609
|
||||
6450 18646.002 577.10671 0 3684.7738 7.7299342
|
||||
6500 18261.033 641.30218 0 3684.8076 17.386854
|
||||
6550 18426.877 613.53329 0 3684.6794 -3.3462219
|
||||
6600 20349.993 293.18762 0 3684.8531 -12.422327
|
||||
6650 21112.2 166.06059 0 3684.7606 -6.7451773
|
||||
6700 20046.245 343.52129 0 3684.5621 -4.0057021
|
||||
6750 20834.1 212.52233 0 3684.8724 -1.5556583
|
||||
6800 21150.619 159.68754 0 3684.7908 -1.5850612
|
||||
6850 20008.249 350.12255 0 3684.8308 6.4872768
|
||||
6900 18654.888 575.51473 0 3684.6627 -17.992304
|
||||
6950 19708.289 400.17932 0 3684.8942 7.0106327
|
||||
7000 20437.426 278.17876 0 3684.4164 6.2019137
|
||||
7050 19604.082 416.96446 0 3684.3114 -3.924055
|
||||
7100 18301.87 633.03111 0 3683.3428 19.029745
|
||||
7150 18558.782 591.49191 0 3684.6222 25.690348
|
||||
7200 16746.788 894.4891 0 3685.6204 9.3897347
|
||||
7250 19956.035 358.65844 0 3684.6642 2.9307876
|
||||
7300 21612.74 82.596669 0 3684.7199 -6.0761772
|
||||
7350 21082.361 170.97104 0 3684.6979 -1.6531911
|
||||
7400 21447.623 110.03038 0 3684.6342 -9.6680921
|
||||
7450 21815.262 48.645261 0 3684.5222 -2.4194461
|
||||
7500 21586.807 86.513539 0 3684.3147 0.80475725
|
||||
7550 21432.021 112.08344 0 3684.087 3.7213279
|
||||
7600 18765.76 557.30844 0 3684.9351 25.566982
|
||||
7650 19237.591 477.51887 0 3683.784 -0.93181342
|
||||
7700 20058.61 340.75274 0 3683.8544 4.1984966
|
||||
7750 21689.282 69.4903 0 3684.3707 -8.0484797
|
||||
7800 21149.046 159.71259 0 3684.5537 7.1881243
|
||||
7850 19334.412 461.23349 0 3683.6355 14.066324
|
||||
7900 21263.983 140.83705 0 3684.8343 -14.739146
|
||||
7950 20871.691 206.2356 0 3684.8508 -11.575259
|
||||
8000 18916.496 531.93786 0 3684.6872 -20.395653
|
||||
8050 20703.238 233.97858 0 3684.5183 4.2191304
|
||||
8100 19544.399 426.74441 0 3684.1442 15.563275
|
||||
8150 17578.916 755.02603 0 3684.8454 23.23474
|
||||
8200 18121.828 663.35414 0 3683.6588 -23.277149
|
||||
8250 19000.859 515.63274 0 3682.4425 8.1499185
|
||||
8300 16312.856 965.20527 0 3684.0147 69.340264
|
||||
8350 17908.285 699.50533 0 3684.2195 -13.64631
|
||||
8400 19971.59 355.22033 0 3683.8187 6.2163041
|
||||
8450 13617.129 1415.4014 0 3684.9229 -9.1829017
|
||||
8500 20374.985 288.34097 0 3684.1719 1.0194401
|
||||
8550 21452.212 108.96717 0 3684.3359 -8.0882838
|
||||
8600 17196.613 818.7652 0 3684.8674 -2.1874477
|
||||
8650 21510.389 99.326067 0 3684.3909 -3.5449392
|
||||
8700 21446.623 109.76972 0 3684.2068 -0.76115037
|
||||
8750 20700.162 234.50311 0 3684.5301 2.0551713
|
||||
8800 21686.769 69.759974 0 3684.2215 -3.6322891
|
||||
8850 20892.916 201.69594 0 3683.8486 0.57163157
|
||||
8900 18095.714 668.44418 0 3684.3965 19.055292
|
||||
8950 21325.044 129.56368 0 3683.7377 2.2916549
|
||||
9000 20739.771 227.15562 0 3683.7842 -6.4759144
|
||||
9050 20683.885 235.94003 0 3683.2543 1.8163478
|
||||
9100 21432.386 111.08386 0 3683.1483 -9.5573949
|
||||
9150 21686.43 69.315468 0 3683.7205 2.1854565
|
||||
9200 16916.728 864.20897 0 3683.6636 7.2632357
|
||||
9250 20122.374 329.80422 0 3683.5332 6.2589988
|
||||
9300 20621.693 246.58967 0 3683.5386 -20.210043
|
||||
9350 20343.792 292.92921 0 3683.5612 0.47974589
|
||||
9400 20334.062 294.47957 0 3683.4899 -5.5269222
|
||||
9450 20971.669 188.26826 0 3683.5464 1.5825497
|
||||
9500 20948.938 191.99574 0 3683.4855 1.7294775
|
||||
9550 21557.149 90.697719 0 3683.5559 4.5248095
|
||||
9600 21121.109 162.83027 0 3683.0151 -3.8673505
|
||||
9650 21306.551 132.27859 0 3683.3704 -0.05028404
|
||||
9700 21064.24 172.82072 0 3683.5273 1.7248916
|
||||
9750 18962.129 523.71798 0 3684.0729 17.93568
|
||||
9800 21192.894 151.77036 0 3683.9193 -0.2514556
|
||||
9850 20585.229 252.91402 0 3683.7855 9.2033197
|
||||
9900 21584.165 86.429361 0 3683.7902 -5.4686156
|
||||
9950 21190.652 151.98402 0 3683.7593 -3.5815764
|
||||
10000 20061.072 340.24042 0 3683.7525 -2.2008049
|
||||
Loop time of 25.7955 on 1 procs for 10000 steps with 81 atoms
|
||||
|
||||
Pair time (%) = 0.950715 (3.68559)
|
||||
Neigh time (%) = 0.339646 (1.31669)
|
||||
Comm time (%) = 0.113344 (0.439395)
|
||||
Outpt time (%) = 0.168425 (0.652924)
|
||||
Other time (%) = 24.2234 (93.9054)
|
||||
|
||||
Nlocal: 81 ave 81 max 81 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 60 ave 60 max 60 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 721 ave 721 max 721 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 721
|
||||
Ave neighs/atom = 8.90123
|
||||
Neighbor list builds = 989
|
||||
Dangerous builds = 911
|
||||
@ -1,305 +0,0 @@
|
||||
LAMMPS (1 Oct 2006)
|
||||
# Simple rigid body system
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
|
||||
pair_style lj/cut 2.5
|
||||
|
||||
read_data data.rigid
|
||||
1 by 1 by 1 processor grid
|
||||
81 atoms
|
||||
|
||||
velocity all create 100.0 4928459
|
||||
|
||||
# unconnected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 10 18
|
||||
#group clump3 id <> 19 27
|
||||
#group clump4 id <> 28 36
|
||||
#group clump5 id <> 37 45
|
||||
#group clump6 id <> 46 54
|
||||
#group clump7 id <> 55 63
|
||||
#group clump8 id <> 64 72
|
||||
#group clump9 id <> 73 81
|
||||
|
||||
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
|
||||
|
||||
# 1 chain of connected bodies
|
||||
|
||||
group clump1 id <> 1 9
|
||||
9 atoms in group clump1
|
||||
group clump2 id <> 9 18
|
||||
10 atoms in group clump2
|
||||
group clump3 id <> 18 27
|
||||
10 atoms in group clump3
|
||||
group clump4 id <> 27 36
|
||||
10 atoms in group clump4
|
||||
group clump5 id <> 36 45
|
||||
10 atoms in group clump5
|
||||
group clump6 id <> 45 54
|
||||
10 atoms in group clump6
|
||||
group clump7 id <> 54 63
|
||||
10 atoms in group clump7
|
||||
group clump8 id <> 63 72
|
||||
10 atoms in group clump8
|
||||
group clump9 id <> 72 81
|
||||
10 atoms in group clump9
|
||||
|
||||
fix 1 all poems group clump1 clump2 clump3 clump4 clump5 clump6 clump7 clump8 clump9
|
||||
1 clusters, 9 bodies, 8 joints, 81 atoms
|
||||
|
||||
# 2 chains of connected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 9 18
|
||||
#group clump3 id <> 18 27
|
||||
#group clump4 id <> 27 36
|
||||
#group clump5 id <> 37 45
|
||||
#group clump6 id <> 45 54
|
||||
#group clump7 id <> 54 63
|
||||
#group clump8 id <> 63 72
|
||||
#group clump9 id <> 72 81
|
||||
|
||||
#fix 1 all poems group clump1 clump2 clump3 clump4
|
||||
#fix 2 all poems group clump5 clump6 clump7 clump8 clump9
|
||||
|
||||
neigh_modify exclude group clump1 clump1
|
||||
neigh_modify exclude group clump2 clump2
|
||||
neigh_modify exclude group clump3 clump3
|
||||
neigh_modify exclude group clump4 clump4
|
||||
neigh_modify exclude group clump5 clump5
|
||||
neigh_modify exclude group clump6 clump6
|
||||
neigh_modify exclude group clump7 clump7
|
||||
neigh_modify exclude group clump8 clump8
|
||||
neigh_modify exclude group clump9 clump9
|
||||
|
||||
thermo 100
|
||||
dump 1 all atom 50 dump.rigid
|
||||
|
||||
timestep 0.0001
|
||||
thermo 50
|
||||
run 10000
|
||||
Memory usage per processor = 1.50473 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press
|
||||
0 217.7783 3430.3907 0 3466.6871 -2.7403788
|
||||
50 13679.637 1404.2468 0 3684.1863 12.446066
|
||||
100 16777.225 888.87665 0 3685.0808 -31.828677
|
||||
150 19595.365 418.45042 0 3684.3446 40.709078
|
||||
200 18524.188 596.47273 0 3683.8375 -0.8159371
|
||||
250 21015.789 180.96521 0 3683.5967 -10.042469
|
||||
300 20785.513 219.25314 0 3683.5053 2.6452719
|
||||
350 21072.46 171.2554 0 3683.3321 7.0609024
|
||||
400 19956.414 356.36381 0 3682.4328 19.320259
|
||||
450 20724.42 227.73284 0 3681.8028 8.1259249
|
||||
500 20152.578 322.71466 0 3681.4777 5.4929878
|
||||
550 20017.022 345.29701 0 3681.4673 5.4661666
|
||||
600 17897.743 698.72196 0 3681.6791 3.2854742
|
||||
650 17297.758 796.60256 0 3679.5623 15.191113
|
||||
700 18581.934 584.29715 0 3681.2861 5.1588289
|
||||
750 21774.158 52.821062 0 3681.8474 -10.775664
|
||||
800 21604.055 81.188546 0 3681.8644 -3.2045743
|
||||
850 17821.483 711.53827 0 3681.7854 7.4384278
|
||||
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 6.0538618
|
||||
1350 20558.971 254.36483 0 3680.8601 -3.6773945
|
||||
1400 21485.029 99.812915 0 3680.6511 -16.185473
|
||||
1450 21771.107 52.159616 0 3680.6775 -2.4756671
|
||||
1500 21520.948 93.503919 0 3680.3286 2.1023577
|
||||
1550 21351.418 121.68136 0 3680.2511 5.5159939
|
||||
1600 20778.805 216.92179 0 3680.0559 15.08919
|
||||
1650 21477.638 100.21841 0 3679.8247 -1.1045676
|
||||
1700 18501.338 596.47934 0 3680.0357 -15.679693
|
||||
1750 18563.641 587.34802 0 3681.2882 33.532224
|
||||
1800 19110.184 494.82361 0 3679.8543 18.024052
|
||||
1850 21364.189 119.23567 0 3679.9339 2.5290982
|
||||
1900 20146.623 322.14928 0 3679.9197 5.7313631
|
||||
1950 20692.672 231.25329 0 3680.0319 4.2977763
|
||||
2000 20943.904 189.11224 0 3679.7629 -22.644967
|
||||
2050 19668.032 401.83413 0 3679.8394 3.6250579
|
||||
2100 20280.405 299.76781 0 3679.8353 7.4807458
|
||||
2150 19181.776 483.53587 0 3680.4986 22.622025
|
||||
2200 21300.275 130.68616 0 3680.732 4.7099237
|
||||
2250 20486.714 266.67751 0 3681.1298 -8.6469998
|
||||
2300 18652.596 572.33559 0 3681.1016 -5.2628292
|
||||
2350 21513.777 95.572407 0 3681.202 -9.3648592
|
||||
2400 21465.849 103.63471 0 3681.2763 -29.550454
|
||||
2450 20100.961 332.12793 0 3682.2881 35.70449
|
||||
2500 20765.206 221.53187 0 3682.3996 -12.452833
|
||||
2550 20442.965 275.09622 0 3682.2571 -22.450229
|
||||
2600 21465.612 104.67793 0 3682.2799 -10.089769
|
||||
2650 20840.301 208.97723 0 3682.3607 5.0962323
|
||||
2700 18566.291 588.29119 0 3682.6731 22.314898
|
||||
2750 20859.619 205.61533 0 3682.2184 -8.4111045
|
||||
2800 21152.619 156.74913 0 3682.1856 -7.0841069
|
||||
2850 17034.124 843.41557 0 3682.4362 31.940811
|
||||
2900 19433.377 443.20884 0 3682.105 8.154109
|
||||
2950 20759.601 222.07863 0 3682.0121 0.94860156
|
||||
3000 20639.898 242.09747 0 3682.0805 -5.0441986
|
||||
3050 18165.856 654.36056 0 3682.0032 2.0390617
|
||||
3100 20352.11 290.03669 0 3682.055 -6.4787936
|
||||
3150 20081.761 335.00558 0 3681.9657 12.403377
|
||||
3200 20312.335 296.00002 0 3681.3892 6.6521722
|
||||
3250 20715.141 228.97633 0 3681.4998 0.29254419
|
||||
3300 21033.583 176.05884 0 3681.656 -0.82749027
|
||||
3350 20555.686 255.51202 0 3681.4596 -2.6224778
|
||||
3400 20517.425 261.8331 0 3681.404 5.7965799
|
||||
3450 21550.686 89.629485 0 3681.4104 1.7369192
|
||||
3500 18213.776 648.60728 0 3684.2366 25.179084
|
||||
3550 20181.817 317.95514 0 3681.5914 12.030205
|
||||
3600 20064.929 336.99155 0 3681.1464 0.46703252
|
||||
3650 20548.763 256.74258 0 3681.5364 5.6316258
|
||||
3700 21695.436 65.821167 0 3681.7272 -4.046094
|
||||
3750 20339.586 291.86983 0 3681.8009 -6.9843488
|
||||
3800 20556.293 255.92096 0 3681.9698 -2.4803781
|
||||
3850 20446.56 274.11342 0 3681.8735 -4.7609085
|
||||
3900 19011.276 513.44779 0 3681.9938 17.583808
|
||||
3950 20584.829 250.52631 0 3681.3311 2.2444895
|
||||
4000 20971.029 185.41558 0 3680.5871 -20.990511
|
||||
4050 18377.385 617.09077 0 3679.9882 7.178804
|
||||
4100 16844.266 873.0443 0 3680.4219 8.8851101
|
||||
4150 21182.287 149.12309 0 3679.5043 -5.7838368
|
||||
4200 20081.816 332.50466 0 3679.4741 11.141881
|
||||
4250 16039.426 1006.3467 0 3679.5845 19.421993
|
||||
4300 21194.532 147.15003 0 3679.572 6.1066469
|
||||
4350 18629.518 575.11052 0 3680.0302 -2.7680889
|
||||
4400 20141.896 323.11764 0 3680.1004 -12.100591
|
||||
4450 19515.022 427.59265 0 3680.0963 -11.941524
|
||||
4500 20713.779 227.58503 0 3679.8816 -2.0762411
|
||||
4550 20534.825 257.13203 0 3679.6029 3.9506072
|
||||
4600 16110.778 995.49492 0 3680.6245 39.113403
|
||||
4650 20050.377 337.60184 0 3679.3313 4.0339243
|
||||
4700 20714.3 226.37364 0 3678.757 1.6928839
|
||||
4750 20397.838 278.68649 0 3678.3261 0.72631759
|
||||
4800 21090.67 163.3683 0 3678.4799 -7.4766616
|
||||
4850 20410.173 276.47646 0 3678.1719 -0.48404227
|
||||
4900 17341.87 787.80944 0 3678.1212 4.7714063
|
||||
4950 20335.7 289.09005 0 3678.3734 -10.795568
|
||||
5000 20001.497 344.2494 0 3677.8322 14.312823
|
||||
5050 17359.581 784.91275 0 3678.1762 -15.0609
|
||||
5100 17595.237 745.73589 0 3678.2753 -8.3672887
|
||||
5150 17097.012 827.91859 0 3677.4206 15.446196
|
||||
5200 18757.137 552.19192 0 3678.3814 -6.9635082
|
||||
5250 20388.016 279.39834 0 3677.401 20.142181
|
||||
5300 19965.35 350.31245 0 3677.8707 -17.821737
|
||||
5350 18436.118 605.83431 0 3678.5207 0.84914232
|
||||
5400 20415.986 276.61546 0 3679.2799 -0.0037894847
|
||||
5450 20973.245 184.18908 0 3679.73 1.5256563
|
||||
5500 21320.183 126.74576 0 3680.1096 2.2287329
|
||||
5550 20328.455 292.4549 0 3680.5307 4.674135
|
||||
5600 19512.862 428.45854 0 3680.6021 2.2858232
|
||||
5650 15118.355 1162.6262 0 3682.352 66.775105
|
||||
5700 21062.257 171.98221 0 3682.3583 -0.20268203
|
||||
5750 21441.233 109.32963 0 3682.8684 -12.340852
|
||||
5800 21012.806 181.33239 0 3683.4666 -7.1699728
|
||||
5850 21023.089 179.80114 0 3683.6494 3.8101095
|
||||
5900 21015.077 181.14388 0 3683.6567 -1.176308
|
||||
5950 18343.926 626.46055 0 3683.7815 15.79278
|
||||
6000 20984.465 186.52409 0 3683.935 -6.1829013
|
||||
6050 20941.64 193.97543 0 3684.2488 1.2909073
|
||||
6100 19546.675 426.86545 0 3684.6447 -0.41477554
|
||||
6150 21264.032 140.55982 0 3684.5651 -4.953571
|
||||
6200 20343.321 293.92487 0 3684.4784 -4.8781976
|
||||
6250 20109.575 333.08805 0 3684.6839 -0.23986631
|
||||
6300 19589.511 419.53578 0 3684.4543 18.387721
|
||||
6350 20331.681 295.43346 0 3684.0469 -2.6072047
|
||||
6400 21210.3 148.28185 0 3683.3319 -13.224448
|
||||
6450 19636.964 407.42287 0 3680.2503 26.945373
|
||||
6500 21158.461 156.82542 0 3683.2355 -5.558554
|
||||
6550 21937.478 26.931715 0 3683.1781 -5.8148489
|
||||
6600 20716.445 229.76043 0 3682.5013 -5.4893734
|
||||
6650 20349.273 291.61535 0 3683.1609 -4.7078762
|
||||
6700 20397.246 281.10262 0 3680.6437 6.1633541
|
||||
6750 17336.761 793.781 0 3683.2412 16.830799
|
||||
6800 21708.663 65.02598 0 3683.1366 -13.06689
|
||||
6850 20710.866 231.36429 0 3683.1752 1.1238222
|
||||
6900 20882.087 202.43759 0 3682.7855 -11.177831
|
||||
6950 21045.002 175.62221 0 3683.1225 -3.9647121
|
||||
7000 21170.606 154.92601 0 3683.3603 -3.0075479
|
||||
7050 17340.245 793.0154 0 3683.0563 18.709167
|
||||
7100 20454.586 274.19282 0 3683.2905 4.359508
|
||||
7150 19292.634 470.28091 0 3685.72 23.379394
|
||||
7200 20398.407 283.80225 0 3683.5367 -8.1595888
|
||||
7250 19860.856 374.83326 0 3684.9759 4.3995323
|
||||
7300 21399.991 116.79899 0 3683.4642 -14.69253
|
||||
7350 18469.477 605.76977 0 3684.016 9.072211
|
||||
7400 21246.811 142.508 0 3683.6431 -2.6286469
|
||||
7450 21606.727 82.490537 0 3683.6116 -2.193408
|
||||
7500 20758.001 223.13996 0 3682.8068 3.9337703
|
||||
7550 21529.182 95.699054 0 3683.896 -2.7652731
|
||||
7600 20810.859 215.29662 0 3683.7731 -3.4678516
|
||||
7650 21441.965 109.96162 0 3683.6224 2.8688092
|
||||
7700 21393.02 117.71951 0 3683.2229 -2.0199004
|
||||
7750 21261.451 139.46728 0 3683.0424 -2.351181
|
||||
7800 20994.936 184.15383 0 3683.3099 -1.9007711
|
||||
7850 20956.664 190.40367 0 3683.1811 -4.9029478
|
||||
7900 21318.654 129.90109 0 3683.0101 -7.7655435
|
||||
7950 19343.389 458.65739 0 3682.5556 5.0414528
|
||||
8000 21252.522 140.54793 0 3682.6349 1.7604951
|
||||
8050 21323.878 128.7032 0 3682.6829 -0.66125431
|
||||
8100 20832.414 210.30335 0 3682.3724 -2.6680938
|
||||
8150 17550.263 757.30848 0 3682.3522 1.416445
|
||||
8200 20762.307 222.30426 0 3682.6887 7.061507
|
||||
8250 21016.153 180.1793 0 3682.8714 2.1107236
|
||||
8300 20995.135 183.00069 0 3682.1899 -10.79355
|
||||
8350 19663.825 405.47578 0 3682.7799 10.9075
|
||||
8400 20234.71 310.31036 0 3682.7621 -1.612016
|
||||
8450 21745.345 58.858829 0 3683.083 -3.880159
|
||||
8500 20836.685 210.48891 0 3683.2698 2.5161282
|
||||
8550 18481.486 602.92686 0 3683.1746 4.7767422
|
||||
8600 20149.663 325.20466 0 3683.4819 1.7540149
|
||||
8650 20416.882 280.56681 0 3683.3806 -5.3074807
|
||||
8700 17276.182 803.72341 0 3683.087 3.9552683
|
||||
8750 21629.427 78.173566 0 3683.0781 -1.1208261
|
||||
8800 16461.211 941.11509 0 3684.6503 58.708816
|
||||
8850 20826.403 212.13566 0 3683.2028 -3.6779809
|
||||
8900 21043.766 176.04074 0 3683.335 3.2840745
|
||||
8950 18551.011 591.38957 0 3683.2248 -15.766551
|
||||
9000 17588.62 751.70197 0 3683.1387 -0.79416225
|
||||
9050 18598.429 582.45011 0 3682.1882 -7.8121328
|
||||
9100 17574.963 755.1499 0 3684.3105 23.521269
|
||||
9150 16789.177 884.58607 0 3682.7823 28.62529
|
||||
9200 21059.662 173.26532 0 3683.209 -6.2449386
|
||||
9250 21358.259 123.53455 0 3683.2445 -25.726367
|
||||
9300 20926.413 195.70771 0 3683.4433 -10.230702
|
||||
9350 20863.621 205.86722 0 3683.1373 -1.4396828
|
||||
9400 20440.979 275.97483 0 3682.8047 -10.029174
|
||||
9450 21412.619 114.29156 0 3683.0614 1.8521419
|
||||
9500 18120.95 662.26385 0 3682.4221 23.552524
|
||||
9550 19931.385 360.93428 0 3682.8317 1.8081452
|
||||
9600 19663.03 406.00051 0 3683.1722 11.177455
|
||||
9650 19534.402 427.35484 0 3683.0885 5.3754448
|
||||
9700 20291.266 300.91321 0 3682.7908 -14.76683
|
||||
9750 17786.971 718.21275 0 3682.708 -16.653312
|
||||
9800 21065.368 171.3061 0 3682.2008 -6.6147323
|
||||
9850 19611.141 413.59775 0 3682.1213 2.9925904
|
||||
9900 20735.244 226.23444 0 3682.1084 0.29229058
|
||||
9950 18050.1 673.94746 0 3682.2975 6.6859551
|
||||
10000 19913.432 363.4788 0 3682.3842 -5.8860431
|
||||
Loop time of 33.1043 on 1 procs for 10000 steps with 81 atoms
|
||||
|
||||
Pair time (%) = 1.07997 (3.26231)
|
||||
Neigh time (%) = 0.32972 (0.996002)
|
||||
Comm time (%) = 0.104371 (0.315279)
|
||||
Outpt time (%) = 0.145776 (0.440353)
|
||||
Other time (%) = 31.4445 (94.9861)
|
||||
|
||||
Nlocal: 81 ave 81 max 81 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 80 ave 80 max 80 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 857 ave 857 max 857 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 857
|
||||
Ave neighs/atom = 10.5802
|
||||
Neighbor list builds = 992
|
||||
Dangerous builds = 944
|
||||
@ -1,4 +1,4 @@
|
||||
LAMMPS (1 Oct 2006)
|
||||
LAMMPS (12 Feb 2007)
|
||||
# Simple rigid body system
|
||||
|
||||
units lj
|
||||
@ -285,13 +285,13 @@ Step Temp E_pair E_mol TotEng Press
|
||||
9900 19542.173 142.22929 0 3761.1503 7.6623836
|
||||
9950 19794.356 96.034607 0 3761.6561 2.4218049
|
||||
10000 19058.563 232.34496 0 3761.7085 -1.2298428
|
||||
Loop time of 16.9577 on 4 procs for 10000 steps with 81 atoms
|
||||
Loop time of 17.5626 on 4 procs for 10000 steps with 81 atoms
|
||||
|
||||
Pair time (%) = 0.0940045 (0.554347)
|
||||
Neigh time (%) = 0.04158 (0.245198)
|
||||
Comm time (%) = 1.38353 (8.15873)
|
||||
Outpt time (%) = 0.0951915 (0.561347)
|
||||
Other time (%) = 15.3434 (90.4804)
|
||||
Pair time (%) = 0.0920856 (0.524327)
|
||||
Neigh time (%) = 0.0420477 (0.239415)
|
||||
Comm time (%) = 1.61713 (9.20777)
|
||||
Outpt time (%) = 0.101673 (0.578917)
|
||||
Other time (%) = 15.7097 (89.4496)
|
||||
|
||||
Nlocal: 20.25 ave 42 max 0 min
|
||||
Histogram: 2 0 0 0 0 0 0 0 1 1
|
||||
306
examples/rigid/log.rigid.poems2.12Feb07.linux.1
Normal file
306
examples/rigid/log.rigid.poems2.12Feb07.linux.1
Normal file
@ -0,0 +1,306 @@
|
||||
LAMMPS (12 Feb 2007)
|
||||
# Simple rigid body system
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
|
||||
pair_style lj/cut 2.5
|
||||
|
||||
read_data data.rigid
|
||||
1 by 1 by 1 processor grid
|
||||
81 atoms
|
||||
|
||||
velocity all create 100.0 4928459
|
||||
|
||||
# unconnected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 10 18
|
||||
#group clump3 id <> 19 27
|
||||
#group clump4 id <> 28 36
|
||||
#group clump5 id <> 37 45
|
||||
#group clump6 id <> 46 54
|
||||
#group clump7 id <> 55 63
|
||||
#group clump8 id <> 64 72
|
||||
#group clump9 id <> 73 81
|
||||
|
||||
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
|
||||
|
||||
# 1 chain of connected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 9 18
|
||||
#group clump3 id <> 18 27
|
||||
#group clump4 id <> 27 36
|
||||
#group clump5 id <> 36 45
|
||||
#group clump6 id <> 45 54
|
||||
#group clump7 id <> 54 63
|
||||
#group clump8 id <> 63 72
|
||||
#group clump9 id <> 72 81
|
||||
|
||||
#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
|
||||
|
||||
# 2 chains of connected bodies
|
||||
|
||||
group clump1 id <> 1 9
|
||||
9 atoms in group clump1
|
||||
group clump2 id <> 9 18
|
||||
10 atoms in group clump2
|
||||
group clump3 id <> 18 27
|
||||
10 atoms in group clump3
|
||||
group clump4 id <> 27 36
|
||||
10 atoms in group clump4
|
||||
group clump5 id <> 37 45
|
||||
9 atoms in group clump5
|
||||
group clump6 id <> 45 54
|
||||
10 atoms in group clump6
|
||||
group clump7 id <> 54 63
|
||||
10 atoms in group clump7
|
||||
group clump8 id <> 63 72
|
||||
10 atoms in group clump8
|
||||
group clump9 id <> 72 81
|
||||
10 atoms in group clump9
|
||||
|
||||
fix 1 all poems group clump1 clump2 clump3 clump4
|
||||
1 clusters, 4 bodies, 3 joints, 36 atoms
|
||||
fix 2 all poems group clump5 clump6 clump7 clump8 clump9
|
||||
1 clusters, 5 bodies, 4 joints, 45 atoms
|
||||
|
||||
neigh_modify exclude group clump1 clump1
|
||||
neigh_modify exclude group clump2 clump2
|
||||
neigh_modify exclude group clump3 clump3
|
||||
neigh_modify exclude group clump4 clump4
|
||||
neigh_modify exclude group clump5 clump5
|
||||
neigh_modify exclude group clump6 clump6
|
||||
neigh_modify exclude group clump7 clump7
|
||||
neigh_modify exclude group clump8 clump8
|
||||
neigh_modify exclude group clump9 clump9
|
||||
|
||||
thermo 100
|
||||
dump 1 all atom 50 dump.rigid
|
||||
|
||||
timestep 0.0001
|
||||
thermo 50
|
||||
run 10000
|
||||
Memory usage per processor = 1.85083 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press
|
||||
0 196.00047 3632.2347 0 3668.5311 -49.218825
|
||||
50 12167.633 1505.5478 0 3758.8133 33.574274
|
||||
100 17556.978 512.66277 0 3763.9549 7.6047451
|
||||
150 19579.586 138.04942 0 3763.8987 -16.463506
|
||||
200 19757.51 105.30542 0 3764.1036 7.5942941
|
||||
250 18218.374 390.10747 0 3763.8804 19.672945
|
||||
300 19383.039 174.40688 0 3763.8586 10.032093
|
||||
350 20125.986 36.972611 0 3764.0071 6.0125969
|
||||
400 18888.816 266.10975 0 3764.0386 8.3046039
|
||||
450 19307.656 188.2511 0 3763.743 7.8887976
|
||||
500 16331.197 738.56392 0 3762.8597 13.456852
|
||||
550 19318.722 186.16172 0 3763.7027 8.2282227
|
||||
600 19455.268 161.20621 0 3764.0336 7.7732896
|
||||
650 18487.011 340.03216 0 3763.5528 3.9255991
|
||||
700 17321.201 556.32471 0 3763.9545 -6.4011523
|
||||
750 18979.187 249.04389 0 3763.7082 2.1939314
|
||||
800 19342.456 181.85552 0 3763.7918 12.876517
|
||||
850 19070.641 232.19342 0 3763.7936 8.2159078
|
||||
900 19478.873 156.65987 0 3763.8586 7.4568244
|
||||
950 19912.415 76.437437 0 3763.9216 5.8486682
|
||||
1000 16003.749 802.39753 0 3766.0548 55.191187
|
||||
1050 19859.583 86.64176 0 3764.3424 8.7977394
|
||||
1100 19229.575 203.61488 0 3764.6473 -4.0979799
|
||||
1150 18821.6 279.15861 0 3764.64 1.5304912
|
||||
1200 19392.695 173.59744 0 3764.8373 10.841959
|
||||
1250 16459.624 717.32104 0 3765.3995 40.93
|
||||
1300 19343.863 182.59043 0 3764.7874 9.4801222
|
||||
1350 20019.643 57.503573 0 3764.8448 8.041765
|
||||
1400 18549.582 329.31436 0 3764.4221 13.151345
|
||||
1450 15163.926 957.47582 0 3765.6103 -7.3048396
|
||||
1500 19223.689 204.15156 0 3764.0939 6.5539037
|
||||
1550 18147.996 404.12674 0 3764.8668 13.092194
|
||||
1600 18615.043 317.42458 0 3764.6548 5.910153
|
||||
1650 20120.654 38.887996 0 3764.935 0.38927147
|
||||
1700 19450.903 162.98348 0 3765.0025 7.9275404
|
||||
1750 19374.636 177.37893 0 3765.2744 8.7907115
|
||||
1800 19424.402 167.93995 0 3765.0514 5.6664351
|
||||
1850 17936.625 442.77274 0 3764.3699 14.100683
|
||||
1900 19982.599 64.405428 0 3764.8868 3.845421
|
||||
1950 16216.44 761.80238 0 3764.8469 19.871956
|
||||
2000 18584.234 322.15493 0 3763.6798 12.138618
|
||||
2050 20107.969 41.025039 0 3764.723 5.3930845
|
||||
2100 20002.411 60.57861 0 3764.7288 0.25780472
|
||||
2150 16948.844 626.76647 0 3765.4413 12.955652
|
||||
2200 20010.946 58.809564 0 3764.5403 -1.2241058
|
||||
2250 18982.703 247.01388 0 3762.3292 8.9782072
|
||||
2300 18401.642 354.81637 0 3762.5279 7.00181
|
||||
2350 19390.361 172.97181 0 3763.7793 1.8204299
|
||||
2400 16086.125 785.40108 0 3764.3132 -12.43145
|
||||
2450 18872.351 268.39211 0 3763.2718 14.60112
|
||||
2500 19684.688 118.25055 0 3763.5632 8.3452435
|
||||
2550 18878.925 267.2853 0 3763.3825 -0.4776104
|
||||
2600 17005.407 614.29162 0 3763.441 11.648752
|
||||
2650 18827.389 277.31059 0 3763.8641 8.0646841
|
||||
2700 19715.461 112.12451 0 3763.1358 6.611501
|
||||
2750 19319.449 185.79269 0 3763.4684 7.0469373
|
||||
2800 18120.942 406.44184 0 3762.1719 34.017493
|
||||
2850 19401.627 170.17075 0 3763.0647 6.6156058
|
||||
2900 20106.157 39.874788 0 3763.2371 3.9356029
|
||||
2950 16814.814 649.4335 0 3763.288 19.866275
|
||||
3000 16200.577 761.45184 0 3761.5588 24.481639
|
||||
3050 18396.676 356.11264 0 3762.9044 11.886991
|
||||
3100 17582.958 506.67523 0 3762.7786 -8.4420604
|
||||
3150 18362.109 362.43838 0 3762.8289 20.848538
|
||||
3200 17008.785 613.88943 0 3763.6645 17.861071
|
||||
3250 19614.194 130.81389 0 3763.072 6.9309301
|
||||
3300 18995.955 245.31261 0 3763.0821 -3.0930246
|
||||
3350 18215.815 389.87474 0 3763.1737 7.0361215
|
||||
3400 18068.71 417.08655 0 3763.144 9.961669
|
||||
3450 19352.914 179.0126 0 3762.8855 13.271847
|
||||
3500 18738.818 292.55665 0 3762.7082 8.7182296
|
||||
3550 19469.912 157.36508 0 3762.9044 9.8811856
|
||||
3600 18431.706 349.41269 0 3762.6916 9.8972814
|
||||
3650 18819.962 277.76095 0 3762.9392 10.602006
|
||||
3700 19813.675 93.945731 0 3763.1449 5.3804999
|
||||
3750 18075.078 415.77801 0 3763.0146 6.6699336
|
||||
3800 19422.14 166.53886 0 3763.2315 6.5699764
|
||||
3850 18013.209 427.44475 0 3763.2243 0.47129141
|
||||
3900 19193.889 208.87526 0 3763.2991 2.2645534
|
||||
3950 16568.188 695.64549 0 3763.8284 18.270973
|
||||
4000 17993.623 430.51008 0 3762.6626 10.839154
|
||||
4050 19625.511 128.63837 0 3762.9922 5.7391383
|
||||
4100 19069.298 231.35736 0 3762.7088 6.8146572
|
||||
4150 18033.877 424.02231 0 3763.6292 2.7693427
|
||||
4200 19950.626 68.482279 0 3763.0426 9.5547662
|
||||
4250 18786.19 284.10677 0 3763.0309 14.089513
|
||||
4300 19526.067 146.81821 0 3762.7565 3.5904061
|
||||
4350 16343.335 736.72783 0 3763.2714 39.410491
|
||||
4400 18759.668 288.81939 0 3762.8319 12.975401
|
||||
4450 18633.251 312.20135 0 3762.8033 10.199762
|
||||
4500 18079.31 414.80535 0 3762.8256 7.6705765
|
||||
4550 18288.498 376.11039 0 3762.8693 12.253044
|
||||
4600 18315.887 371.16083 0 3762.9918 5.0242317
|
||||
4650 18901.901 262.59396 0 3762.9459 2.7293238
|
||||
4700 19311.704 186.85051 0 3763.092 4.5926473
|
||||
4750 19426.54 165.69302 0 3763.2005 -1.3847183
|
||||
4800 18347.933 365.43611 0 3763.2015 7.9755076
|
||||
4850 19952.067 68.477491 0 3763.3047 8.9724781
|
||||
4900 19224.549 203.14962 0 3763.2513 8.0785966
|
||||
4950 19857.322 85.89601 0 3763.1779 6.7304247
|
||||
5000 19592.925 134.86246 0 3763.182 7.6141401
|
||||
5050 19472.16 157.37877 0 3763.3343 9.2091755
|
||||
5100 19814.831 93.787624 0 3763.2008 11.330509
|
||||
5150 18211.407 390.82193 0 3763.3047 13.81542
|
||||
5200 18828.994 276.3271 0 3763.1778 11.34844
|
||||
5250 20121.332 37.261735 0 3763.4344 6.7338019
|
||||
5300 17755.337 475.75071 0 3763.7761 14.167064
|
||||
5350 20033.05 53.761483 0 3763.5855 5.3749453
|
||||
5400 19332.059 183.54479 0 3763.5557 7.4674926
|
||||
5450 19964.421 66.56191 0 3763.677 6.1167743
|
||||
5500 19838.257 89.969443 0 3763.7207 3.3591427
|
||||
5550 19202.804 207.40212 0 3763.4769 16.351587
|
||||
5600 19855.825 86.760789 0 3763.7654 8.0189044
|
||||
5650 19060.478 234.22396 0 3763.9421 6.1572157
|
||||
5700 20124.587 37.161564 0 3763.937 7.5696918
|
||||
5750 19304.489 189.01672 0 3763.9221 5.7150756
|
||||
5800 18516.206 335.07659 0 3764.0036 3.5806069
|
||||
5850 18093.127 413.01533 0 3763.5945 7.8629917
|
||||
5900 17303.637 559.08088 0 3763.458 2.7072615
|
||||
5950 19818.733 93.796285 0 3763.932 8.9805512
|
||||
6000 18162.182 400.57864 0 3763.9457 13.263234
|
||||
6050 18439.177 349.30792 0 3763.9703 6.4756606
|
||||
6100 18899.456 263.84185 0 3763.741 10.898781
|
||||
6150 17317.004 556.71789 0 3763.5704 11.704857
|
||||
6200 18991.81 246.89696 0 3763.8989 3.2286864
|
||||
6250 19868.798 84.388048 0 3763.795 5.9103508
|
||||
6300 18989.135 247.26992 0 3763.7763 18.604444
|
||||
6350 15978.578 804.89 0 3763.8858 12.169877
|
||||
6400 18967.47 251.22915 0 3763.7236 6.8735765
|
||||
6450 19294.369 190.87058 0 3763.9019 -1.5455507
|
||||
6500 19826.451 92.014872 0 3763.5798 7.2553554
|
||||
6550 17480.845 526.28717 0 3763.4807 5.5505499
|
||||
6600 17806.087 465.8384 0 3763.262 26.481782
|
||||
6650 17942.192 439.48981 0 3762.118 11.35985
|
||||
6700 16468.094 712.95472 0 3762.6018 14.069858
|
||||
6750 19305.119 188.34815 0 3763.3703 7.052136
|
||||
6800 19988.201 62.004452 0 3763.5231 6.5334797
|
||||
6850 20193.079 24.117041 0 3763.5761 3.4827497
|
||||
6900 20011.596 57.729546 0 3763.5806 3.4890214
|
||||
6950 18419.577 352.48285 0 3763.5157 0.47973678
|
||||
7000 19178.531 212.01179 0 3763.5917 8.9488095
|
||||
7050 18754.875 289.8693 0 3762.9942 15.271004
|
||||
7100 19179.381 211.26035 0 3762.9975 7.7065367
|
||||
7150 18221.392 388.75188 0 3763.0837 -5.5870803
|
||||
7200 19508.765 150.73861 0 3763.4729 0.86924221
|
||||
7250 16779.268 656.19712 0 3763.4689 9.6537749
|
||||
7300 19184.405 210.6069 0 3763.2744 1.3949529
|
||||
7350 17914.948 445.90458 0 3763.4876 8.5105795
|
||||
7400 14040.559 1164.2709 0 3764.3744 -18.733631
|
||||
7450 17680.643 489.04226 0 3763.2354 7.7465943
|
||||
7500 15575.048 879.11471 0 3763.3829 11.73774
|
||||
7550 16738.339 663.36831 0 3763.0607 19.071113
|
||||
7600 18927.126 258.2804 0 3763.3038 8.7575196
|
||||
7650 17033.929 610.18818 0 3764.6195 20.103976
|
||||
7700 17800.589 463.84003 0 3760.2454 -0.58664763
|
||||
7750 18337.643 367.47891 0 3763.3388 3.0646364
|
||||
7800 20102.521 40.465427 0 3763.1544 5.890522
|
||||
7850 18854.307 271.72975 0 3763.2681 21.40115
|
||||
7900 18769.869 287.08151 0 3762.9832 13.873827
|
||||
7950 19530.556 146.69214 0 3763.4618 6.9677806
|
||||
8000 17967.757 436.48149 0 3763.8439 -8.7686357
|
||||
8050 19995.451 60.489084 0 3763.3503 -0.16755556
|
||||
8100 17668.554 491.39156 0 3763.346 5.2085894
|
||||
8150 17041.937 607.0112 0 3762.9255 32.910713
|
||||
8200 19634.282 127.02828 0 3763.0064 10.156284
|
||||
8250 19464.43 158.26891 0 3762.7929 4.6092644
|
||||
8300 18262.088 380.75171 0 3762.6199 -2.8465886
|
||||
8350 19154.678 214.95549 0 3762.118 7.9411401
|
||||
8400 18631.904 312.04844 0 3762.4011 8.5365875
|
||||
8450 17326.79 552.9849 0 3761.6497 5.5282777
|
||||
8500 18262.986 380.59746 0 3762.6319 4.5328455
|
||||
8550 16355.636 733.37813 0 3762.1995 -0.081116392
|
||||
8600 17652.805 494.50385 0 3763.5419 7.9532832
|
||||
8650 16589.75 690.94159 0 3763.1175 5.9389722
|
||||
8700 18767.632 287.52175 0 3763.0091 8.5339813
|
||||
8750 19530.676 145.40209 0 3762.194 13.700999
|
||||
8800 16209.935 760.89243 0 3762.7323 -3.8758006
|
||||
8850 19909.854 75.790768 0 3762.8008 7.227949
|
||||
8900 19162.868 213.40033 0 3762.0797 13.090144
|
||||
8950 17996.377 429.38719 0 3762.0496 11.184399
|
||||
9000 17366.686 545.41384 0 3761.4667 1.1354401
|
||||
9050 16976.454 618.54424 0 3762.332 2.9998911
|
||||
9100 19419.965 166.18943 0 3762.4793 9.2514375
|
||||
9150 17900.022 448.30981 0 3763.1287 1.7569818
|
||||
9200 18662.637 306.89813 0 3762.942 9.9910386
|
||||
9250 19806.478 95.487105 0 3763.3534 1.7132635
|
||||
9300 19065.731 233.31844 0 3764.0093 5.8910882
|
||||
9350 15347.66 921.21669 0 3763.3759 8.8446349
|
||||
9400 18056.449 416.32084 0 3760.1078 19.958532
|
||||
9450 19104.743 225.75045 0 3763.6658 6.8595588
|
||||
9500 18193.488 394.55096 0 3763.7154 5.7859475
|
||||
9550 17005.07 614.383 0 3763.4701 26.389911
|
||||
9600 18956.557 253.26137 0 3763.7349 9.313651
|
||||
9650 18278.345 379.38464 0 3764.2634 -5.9106259
|
||||
9700 19791.354 98.864736 0 3763.9303 7.4991305
|
||||
9750 19840.264 89.82519 0 3763.9482 3.3775783
|
||||
9800 19120.304 222.91513 0 3763.7122 -2.4237742
|
||||
9850 15643.719 866.53246 0 3763.5175 4.7456523
|
||||
9900 16998.456 616.53609 0 3764.3983 -1.5467682
|
||||
9950 19670.981 121.07532 0 3763.8496 8.7750881
|
||||
10000 16544.589 699.98952 0 3763.8022 -7.723777
|
||||
Loop time of 26.9527 on 1 procs for 10000 steps with 81 atoms
|
||||
|
||||
Pair time (%) = 0.688746 (2.55539)
|
||||
Neigh time (%) = 0.27122 (1.00628)
|
||||
Comm time (%) = 0.133495 (0.495294)
|
||||
Outpt time (%) = 0.140981 (0.523068)
|
||||
Other time (%) = 25.7183 (95.42)
|
||||
|
||||
Nlocal: 81 ave 81 max 81 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Nghost: 71 ave 71 max 71 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
Neighs: 528 ave 528 max 528 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 528
|
||||
Ave neighs/atom = 6.51852
|
||||
Neighbor list builds = 993
|
||||
Dangerous builds = 946
|
||||
@ -1,306 +0,0 @@
|
||||
LAMMPS (1 Oct 2006)
|
||||
# Simple rigid body system
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
|
||||
pair_style lj/cut 2.5
|
||||
|
||||
read_data data.rigid
|
||||
1 by 1 by 1 processor grid
|
||||
81 atoms
|
||||
|
||||
velocity all create 100.0 4928459
|
||||
|
||||
# unconnected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 10 18
|
||||
#group clump3 id <> 19 27
|
||||
#group clump4 id <> 28 36
|
||||
#group clump5 id <> 37 45
|
||||
#group clump6 id <> 46 54
|
||||
#group clump7 id <> 55 63
|
||||
#group clump8 id <> 64 72
|
||||
#group clump9 id <> 73 81
|
||||
|
||||
#fix 1 all rigid group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
|
||||
|
||||
# 1 chain of connected bodies
|
||||
|
||||
#group clump1 id <> 1 9
|
||||
#group clump2 id <> 9 18
|
||||
#group clump3 id <> 18 27
|
||||
#group clump4 id <> 27 36
|
||||
#group clump5 id <> 36 45
|
||||
#group clump6 id <> 45 54
|
||||
#group clump7 id <> 54 63
|
||||
#group clump8 id <> 63 72
|
||||
#group clump9 id <> 72 81
|
||||
|
||||
#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
|
||||
|
||||
# 2 chains of connected bodies
|
||||
|
||||
group clump1 id <> 1 9
|
||||
9 atoms in group clump1
|
||||
group clump2 id <> 9 18
|
||||
10 atoms in group clump2
|
||||
group clump3 id <> 18 27
|
||||
10 atoms in group clump3
|
||||
group clump4 id <> 27 36
|
||||
10 atoms in group clump4
|
||||
group clump5 id <> 37 45
|
||||
9 atoms in group clump5
|
||||
group clump6 id <> 45 54
|
||||
10 atoms in group clump6
|
||||
group clump7 id <> 54 63
|
||||
10 atoms in group clump7
|
||||
group clump8 id <> 63 72
|
||||
10 atoms in group clump8
|
||||
group clump9 id <> 72 81
|
||||
10 atoms in group clump9
|
||||
|
||||
fix 1 all poems group clump1 clump2 clump3 clump4
|
||||
1 clusters, 4 bodies, 3 joints, 36 atoms
|
||||
fix 2 all poems group clump5 clump6 clump7 clump8 clump9
|
||||
1 clusters, 5 bodies, 4 joints, 45 atoms
|
||||
|
||||
neigh_modify exclude group clump1 clump1
|
||||
neigh_modify exclude group clump2 clump2
|
||||
neigh_modify exclude group clump3 clump3
|
||||
neigh_modify exclude group clump4 clump4
|
||||
neigh_modify exclude group clump5 clump5
|
||||
neigh_modify exclude group clump6 clump6
|
||||
neigh_modify exclude group clump7 clump7
|
||||
neigh_modify exclude group clump8 clump8
|
||||
neigh_modify exclude group clump9 clump9
|
||||
|
||||
thermo 100
|
||||
dump 1 all atom 50 dump.rigid
|
||||
|
||||
timestep 0.0001
|
||||
thermo 50
|
||||
run 10000
|
||||
Memory usage per processor = 1.85083 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press
|
||||
0 196.00047 3632.2347 0 3668.5311 -49.218825
|
||||
50 12167.633 1505.5478 0 3758.8133 33.574274
|
||||
100 17556.978 512.66277 0 3763.9549 7.6047451
|
||||
150 19579.586 138.04942 0 3763.8987 -16.463506
|
||||
200 19757.51 105.30542 0 3764.1036 7.5942941
|
||||
250 18218.374 390.10747 0 3763.8804 19.672945
|
||||
300 19383.039 174.40688 0 3763.8586 10.032093
|
||||
350 20125.986 36.972611 0 3764.0071 6.0125969
|
||||
400 18888.816 266.10975 0 3764.0386 8.3046039
|
||||
450 19307.656 188.2511 0 3763.743 7.8887976
|
||||
500 16331.197 738.56392 0 3762.8597 13.456852
|
||||
550 19318.722 186.16172 0 3763.7027 8.2282227
|
||||
600 19455.268 161.20621 0 3764.0336 7.7732896
|
||||
650 18487.011 340.03216 0 3763.5528 3.9255991
|
||||
700 17321.201 556.32471 0 3763.9545 -6.4011523
|
||||
750 18979.187 249.04389 0 3763.7082 2.1939314
|
||||
800 19342.456 181.85552 0 3763.7918 12.876517
|
||||
850 19070.641 232.19342 0 3763.7936 8.2159078
|
||||
900 19478.873 156.65987 0 3763.8586 7.4568244
|
||||
950 19912.415 76.437437 0 3763.9216 5.8486682
|
||||
1000 16003.749 802.39753 0 3766.0548 55.191187
|
||||
1050 19859.583 86.64176 0 3764.3424 8.7977394
|
||||
1100 19229.575 203.61488 0 3764.6473 -4.0979799
|
||||
1150 18821.6 279.15861 0 3764.64 1.5304912
|
||||
1200 19392.695 173.59744 0 3764.8373 10.841959
|
||||
1250 16459.624 717.32104 0 3765.3995 40.93
|
||||
1300 19343.863 182.59043 0 3764.7874 9.4801222
|
||||
1350 20019.643 57.503573 0 3764.8448 8.041765
|
||||
1400 18549.582 329.31436 0 3764.4221 13.151345
|
||||
1450 15163.926 957.47582 0 3765.6103 -7.3048397
|
||||
1500 19223.689 204.1516 0 3764.0939 6.5539043
|
||||
1550 18147.996 404.12674 0 3764.8668 13.092195
|
||||
1600 18615.043 317.4246 0 3764.6548 5.9101558
|
||||
1650 20120.654 38.887979 0 3764.935 0.38926746
|
||||
1700 19450.904 162.98332 0 3765.0025 7.9275434
|
||||
1750 19374.635 177.37908 0 3765.2744 8.790711
|
||||
1800 19424.402 167.93989 0 3765.0514 5.6664303
|
||||
1850 17936.547 442.78706 0 3764.3699 14.100896
|
||||
1900 19982.599 64.405586 0 3764.8868 3.8454569
|
||||
1950 16216.319 761.8251 0 3764.8472 19.872541
|
||||
2000 18584.273 322.14785 0 3763.6798 12.138511
|
||||
2050 20107.968 41.025185 0 3764.723 5.3931166
|
||||
2100 20002.395 60.581572 0 3764.7288 0.2577697
|
||||
2150 16949.033 626.73148 0 3765.4413 12.955
|
||||
2200 20010.947 58.809301 0 3764.5403 -1.2240041
|
||||
2250 18982.708 247.01284 0 3762.3292 8.9780528
|
||||
2300 18401.571 354.8294 0 3762.5278 7.0019831
|
||||
2350 19390.394 172.9656 0 3763.7793 1.8206136
|
||||
2400 16085.032 785.60385 0 3764.3135 -12.434917
|
||||
2450 18871.953 268.46552 0 3763.2716 14.607919
|
||||
2500 19685.428 118.11323 0 3763.5629 8.3387285
|
||||
2550 18877.269 267.59235 0 3763.3828 -0.48341735
|
||||
2600 17008.289 613.75762 0 3763.4407 11.639259
|
||||
2650 18812.576 280.05888 0 3763.8693 8.0841903
|
||||
2700 19721.109 111.09615 0 3763.1533 6.5832394
|
||||
2750 19385.826 173.49011 0 3763.4578 6.9477448
|
||||
2800 18261.265 380.36977 0 3762.0854 31.328975
|
||||
2850 19262.504 195.91155 0 3763.042 7.1306245
|
||||
2900 20108.917 39.360683 0 3763.2342 4.2051073
|
||||
2950 16520.273 703.73173 0 3763.0416 20.666642
|
||||
3000 17721.082 480.84673 0 3762.5286 10.889353
|
||||
3050 18281.378 377.38446 0 3762.8248 12.727107
|
||||
3100 17813.119 464.33179 0 3763.0575 -5.9033506
|
||||
3150 17848.794 456.92067 0 3762.253 24.280682
|
||||
3200 16283.244 747.77931 0 3763.1949 -34.084455
|
||||
3250 17775.99 470.52364 0 3762.3736 31.744378
|
||||
3300 18920.688 258.84248 0 3762.6735 9.8437551
|
||||
3350 18374.481 358.89272 0 3761.5744 3.5475689
|
||||
3400 18147.71 402.29354 0 3762.9806 11.829727
|
||||
3450 19446.951 161.38162 0 3762.6688 -0.25609588
|
||||
3500 18586.947 320.84226 0 3762.8695 4.4386085
|
||||
3550 19739.703 107.24051 0 3762.7411 6.7843088
|
||||
3600 18020.123 425.86788 0 3762.9277 32.692211
|
||||
3650 17703.685 484.51122 0 3762.9715 18.888689
|
||||
3700 18571.567 323.53862 0 3762.7177 -2.5479026
|
||||
3750 19747.937 105.29513 0 3762.3204 6.9264561
|
||||
3800 19055.305 233.61597 0 3762.3762 10.269813
|
||||
3850 19390.879 171.45465 0 3762.3582 8.5051872
|
||||
3900 17669.249 489.45512 0 3761.5382 28.590013
|
||||
3950 18309.837 371.37486 0 3762.0854 17.457093
|
||||
4000 17913.77 444.38412 0 3761.7489 11.054563
|
||||
4050 19357.4 177.36212 0 3762.0659 -2.7100501
|
||||
4100 19601.584 132.10663 0 3762.0297 7.7432662
|
||||
4150 19468.348 156.55912 0 3761.8087 7.9494045
|
||||
4200 18791.279 282.08385 0 3761.9502 8.0141814
|
||||
4250 17932.214 440.54317 0 3761.3236 8.6775437
|
||||
4300 19854.413 85.385328 0 3762.1285 2.6399285
|
||||
4350 18753.885 289.43762 0 3762.3792 -3.348463
|
||||
4400 19497.1 151.47714 0 3762.0512 8.2129692
|
||||
4450 18881.054 265.79896 0 3762.2904 15.717461
|
||||
4500 19483 154.31774 0 3762.2806 4.5428504
|
||||
4550 18372.304 359.93631 0 3762.2148 2.1598549
|
||||
4600 18538.653 329.1277 0 3762.2117 9.8161015
|
||||
4650 19561.941 139.74654 0 3762.3281 10.249049
|
||||
4700 18772.917 286.03706 0 3762.5032 21.326885
|
||||
4750 19574.986 137.31432 0 3762.3117 7.4877085
|
||||
4800 18707.43 297.96418 0 3762.303 3.5977275
|
||||
4850 19084.263 228.13574 0 3762.2584 4.8620306
|
||||
4900 19256.565 196.41485 0 3762.4453 7.1493737
|
||||
4950 19692.391 115.536 0 3762.2751 9.4402989
|
||||
5000 19540.996 143.5732 0 3762.2761 8.2081649
|
||||
5050 18653.131 308.51184 0 3762.7953 12.668618
|
||||
5100 19633.591 126.5541 0 3762.4043 5.7938001
|
||||
5150 18621.364 313.78864 0 3762.1894 24.57491
|
||||
5200 19688.937 116.08545 0 3762.185 12.477508
|
||||
5250 18410.54 353.19966 0 3762.559 12.976514
|
||||
5300 19950.659 67.914691 0 3762.4811 5.8022194
|
||||
5350 20096.327 40.899907 0 3762.4419 6.0410733
|
||||
5400 19919.818 73.467027 0 3762.3221 2.2220049
|
||||
5450 19300.983 185.34644 0 3759.6026 8.1383036
|
||||
5500 19800.648 95.498164 0 3762.2848 2.3885829
|
||||
5550 20056.731 48.009231 0 3762.2186 4.3782978
|
||||
5600 19844.923 87.14203 0 3762.1277 7.7533964
|
||||
5650 17129.848 590.16296 0 3762.3571 17.511751
|
||||
5700 19711.052 111.82109 0 3762.0159 11.77834
|
||||
5750 19617.414 129.29781 0 3762.1523 7.8333492
|
||||
5800 20036.44 51.792528 0 3762.2443 1.2142201
|
||||
5850 19666.587 120.39539 0 3762.356 2.9059895
|
||||
5900 19270.785 193.72474 0 3762.3887 8.5521132
|
||||
5950 18570.273 323.50997 0 3762.4494 7.917873
|
||||
6000 19639.926 125.31297 0 3762.3363 7.8943644
|
||||
6050 19170.13 212.17653 0 3762.2006 11.073748
|
||||
6100 19477.33 155.36998 0 3762.2829 9.7741577
|
||||
6150 19489.538 153.13138 0 3762.3051 10.490838
|
||||
6200 15767.031 842.38404 0 3762.2046 17.502671
|
||||
6250 18412.418 352.52257 0 3762.2297 6.5373659
|
||||
6300 17972.252 434.26055 0 3762.4554 13.704085
|
||||
6350 18918.499 258.81778 0 3762.2436 1.9382232
|
||||
6400 18849.088 271.35964 0 3761.9315 6.6707881
|
||||
6450 18253.5 381.84702 0 3762.1248 11.492891
|
||||
6500 19249.208 197.34439 0 3762.0126 8.5573923
|
||||
6550 17155.467 584.92475 0 3761.863 10.220904
|
||||
6600 19820.303 91.781334 0 3762.2078 3.1199949
|
||||
6650 16832.666 643.9692 0 3761.1296 3.1224873
|
||||
6700 19043.731 235.36302 0 3761.9799 9.0582649
|
||||
6750 18893.629 263.25929 0 3762.0794 7.2472883
|
||||
6800 17109.53 593.22372 0 3761.6553 4.3802066
|
||||
6850 16744.117 662.34545 0 3763.1078 12.922567
|
||||
6900 19458.193 158.37115 0 3761.7402 11.006662
|
||||
6950 18725.976 294.25915 0 3762.0326 3.2140093
|
||||
7000 16598.724 687.82474 0 3761.6624 -3.6835942
|
||||
7050 18730.073 293.30419 0 3761.8363 10.884579
|
||||
7100 20018.967 54.77727 0 3761.9935 6.0028598
|
||||
7150 17113.843 592.9644 0 3762.1945 6.7236396
|
||||
7200 17196.345 575.20975 0 3759.7181 22.617984
|
||||
7250 19441.447 161.79318 0 3762.0612 8.6790347
|
||||
7300 18425.176 348.35362 0 3760.4232 1.2239447
|
||||
7350 15831.334 830.07877 0 3761.8073 12.989722
|
||||
7400 15760.367 843.93147 0 3762.5179 20.330489
|
||||
7450 19887.01 78.958802 0 3761.7384 3.9771783
|
||||
7500 17074.502 600.07806 0 3762.0229 0.40604401
|
||||
7550 19498.422 151.10349 0 3761.9224 4.5520709
|
||||
7600 19185.257 208.81514 0 3761.6406 4.2379441
|
||||
7650 18265.566 379.07997 0 3761.5921 6.3803024
|
||||
7700 18874.852 266.08897 0 3761.432 12.40484
|
||||
7750 18129.668 404.32772 0 3761.6736 10.569077
|
||||
7800 18203.274 390.12247 0 3761.0991 9.6842762
|
||||
7850 18194.832 391.87893 0 3761.2922 5.4796988
|
||||
7900 16807.558 648.88314 0 3761.3938 0.29076345
|
||||
7950 18084.122 412.78207 0 3761.6935 6.8841109
|
||||
8000 17981.757 431.92518 0 3761.8801 6.6592835
|
||||
8050 19355.253 177.54899 0 3761.855 5.5142333
|
||||
8100 20025.877 53.385491 0 3761.8812 6.9839182
|
||||
8150 18845.855 271.98132 0 3761.9544 12.093316
|
||||
8200 16272.215 748.48475 0 3761.8579 3.2379236
|
||||
8250 19924.961 72.016182 0 3761.8237 7.4249536
|
||||
8300 17765.452 471.72154 0 3761.6201 7.703297
|
||||
8350 18716.949 295.72885 0 3761.8305 3.9378764
|
||||
8400 18669.341 304.5313 0 3761.8167 6.5183661
|
||||
8450 17588.96 504.87172 0 3762.0864 10.603189
|
||||
8500 19416.561 166.00525 0 3761.6647 4.9012003
|
||||
8550 17856.962 455.50215 0 3762.347 32.77813
|
||||
8600 19538.533 143.63236 0 3761.8792 7.9996791
|
||||
8650 19155.813 213.86669 0 3761.2394 10.276167
|
||||
8700 19069.24 230.4574 0 3761.7982 3.9102709
|
||||
8750 19365.473 175.51172 0 3761.7105 11.362372
|
||||
8800 19133.09 218.25828 0 3761.4231 9.9797495
|
||||
8850 18259.293 380.39561 0 3761.7461 7.7607448
|
||||
8900 18775.775 284.73679 0 3761.7321 -1.8279748
|
||||
8950 15941.533 809.54243 0 3761.6782 20.457951
|
||||
9000 19525.004 145.86783 0 3761.6092 6.7957307
|
||||
9050 17956.771 435.7506 0 3761.0786 7.3335578
|
||||
9100 19258.953 195.12617 0 3761.5989 9.5389589
|
||||
9150 18891.927 262.8519 0 3761.357 9.7974291
|
||||
9200 17804.066 464.97231 0 3762.0215 14.446215
|
||||
9250 18975.048 247.6467 0 3761.5445 10.681583
|
||||
9300 19242.636 198.11698 0 3761.5681 1.1630841
|
||||
9350 19037.441 236.19188 0 3761.644 8.4873411
|
||||
9400 17398.22 539.36333 0 3761.2559 23.119633
|
||||
9450 18636.737 310.27156 0 3761.5192 4.5578491
|
||||
9500 19979.365 61.813877 0 3761.6963 6.4995321
|
||||
9550 18886.37 264.32082 0 3761.7967 4.2159993
|
||||
9600 18374.874 359.07673 0 3761.8312 -0.87552165
|
||||
9650 19927.34 71.462667 0 3761.7108 6.3897422
|
||||
9700 16594.729 688.47459 0 3761.5725 21.040463
|
||||
9750 19520.395 146.32272 0 3761.2106 9.4824852
|
||||
9800 17066.423 600.32957 0 3760.7782 10.240849
|
||||
9850 18262.057 379.95673 0 3761.8191 45.222639
|
||||
9900 19261.074 194.37227 0 3761.2378 -1.6957956
|
||||
9950 19695.741 113.67141 0 3761.0308 8.0826867
|
||||
10000 19798.388 94.785163 0 3761.1534 9.0475616
|
||||
Loop time of 33.9032 on 1 procs for 10000 steps with 81 atoms
|
||||
|
||||
Pair time (%) = 0.816388 (2.40799)
|
||||
Neigh time (%) = 0.259492 (0.76539)
|
||||
Comm time (%) = 0.132266 (0.390128)
|
||||
Outpt time (%) = 0.142545 (0.420446)
|
||||
Other time (%) = 32.5526 (96.016)
|
||||
|
||||
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: 626 ave 626 max 626 min
|
||||
Histogram: 1 0 0 0 0 0 0 0 0 0
|
||||
|
||||
Total # of neighbors = 626
|
||||
Ave neighs/atom = 7.7284
|
||||
Neighbor list builds = 994
|
||||
Dangerous builds = 954
|
||||
Reference in New Issue
Block a user