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lammps/examples/rigid/log.15Feb16.rigid.poems2.g++.4
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LAMMPS (15 Feb 2016)
# 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 MPI processor grid
reading atoms ...
81 atoms
velocity all create 100.0 4928459
# unconnected bodies
#group clump1 id <> 1 9
#group clump2 id <> 10 18
#group clump3 id <> 19 27
#group clump4 id <> 28 36
#group clump5 id <> 37 45
#group clump6 id <> 46 54
#group clump7 id <> 55 63
#group clump8 id <> 64 72
#group clump9 id <> 73 81
#fix 1 all rigid group 9 clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 1 chain of connected bodies
#group clump1 id <> 1 9
#group clump2 id <> 9 18
#group clump3 id <> 18 27
#group clump4 id <> 27 36
#group clump5 id <> 36 45
#group clump6 id <> 45 54
#group clump7 id <> 54 63
#group clump8 id <> 63 72
#group clump9 id <> 72 81
#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 # clump6 clump7 clump8 clump9
# 2 chains of connected bodies
group clump1 id <> 1 9
9 atoms in group clump1
group clump2 id <> 9 18
10 atoms in group clump2
group clump3 id <> 18 27
10 atoms in group clump3
group clump4 id <> 27 36
10 atoms in group clump4
group clump5 id <> 37 45
9 atoms in group clump5
group clump6 id <> 45 54
10 atoms in group clump6
group clump7 id <> 54 63
10 atoms in group clump7
group clump8 id <> 63 72
10 atoms in group clump8
group clump9 id <> 72 81
10 atoms in group clump9
fix 1 all poems group clump1 clump2 clump3 clump4
1 clusters, 4 bodies, 3 joints, 36 atoms
fix 2 all poems group clump5 clump6 clump7 clump8 clump9
1 clusters, 5 bodies, 4 joints, 45 atoms
neigh_modify exclude group clump1 clump1
neigh_modify exclude group clump2 clump2
neigh_modify exclude group clump3 clump3
neigh_modify exclude group clump4 clump4
neigh_modify exclude group clump5 clump5
neigh_modify exclude group clump6 clump6
neigh_modify exclude group clump7 clump7
neigh_modify exclude group clump8 clump8
neigh_modify exclude group clump9 clump9
thermo 100
#dump 1 all atom 50 dump.rigid.poems2
#dump 2 all image 100 image.*.jpg type type # axes yes 0.8 0.02 view 60 -30
#dump_modify 2 pad 5
#dump 3 all movie 100 movie.mpg type type # axes yes 0.8 0.02 view 60 -30
#dump_modify 3 pad 5
timestep 0.0001
thermo 50
run 10000
WARNING: More than one fix poems (../fix_poems.cpp:352)
WARNING: More than one fix poems (../fix_poems.cpp:352)
WARNING: One or more atoms are time integrated more than once (../modify.cpp:266)
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 2.8
ghost atom cutoff = 2.8
binsize = 1.4 -> bins = 18 18 18
Memory usage per processor = 3.0037 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 15163.926 957.47585 0 3765.6103 -17.923459
1500 19223.688 204.15176 0 3764.0939 -1.6134529
1550 18147.996 404.12677 0 3764.8668 8.4194781
1600 18615.043 317.42468 0 3764.6548 -2.3288926
1650 20120.654 38.887908 0 3764.935 -8.7620288
1700 19450.907 162.98267 0 3765.0025 2.3254739
1750 19374.631 177.3797 0 3765.2744 8.9328773
1800 19424.404 167.93965 0 3765.0514 0.081228843
1850 17936.227 442.84645 0 3764.3699 6.6011251
1900 19982.595 64.406244 0 3764.8868 -2.952971
1950 16215.818 761.91942 0 3764.8486 13.994877
2000 18584.433 322.11846 0 3763.6801 7.1653695
2050 20107.965 41.025796 0 3764.723 -0.31089763
2100 20002.329 60.593879 0 3764.7288 -6.7919882
2150 16949.817 626.58598 0 3765.4409 3.5087505
2200 20010.954 58.8082 0 3764.5403 -10.862143
2250 18982.732 247.00854 0 3762.3293 -0.53812607
2300 18401.276 354.88369 0 3762.5274 1.0921058
2350 19390.535 172.93951 0 3763.7793 -3.3524354
2400 16080.475 786.44896 0 3764.3146 -16.201558
2450 18870.293 268.77171 0 3763.2704 11.199749
2500 19688.508 117.54164 0 3763.5617 4.3806994
2550 18870.328 268.87896 0 3763.3841 -5.6641099
2600 17020.211 611.54841 0 3763.4394 6.3081434
2650 18748.838 291.88478 0 3763.8917 2.4175163
2700 19743.991 106.92945 0 3763.224 -0.33916964
2750 19525.446 147.60906 0 3763.4324 -1.6251174
2800 18257.411 381.40184 0 3762.4038 23.39495
2850 18496.796 337.65425 0 3762.9868 4.3657735
2900 20163.418 29.253902 0 3763.2203 1.4431917
2950 16823.317 646.69817 0 3762.1273 4.9041552
3000 19223.007 203.2529 0 3763.069 4.0414458
3050 17391.02 542.93746 0 3763.4968 15.139863
3100 19205.6 206.57791 0 3763.1705 4.8519241
3150 19835.659 90.247763 0 3763.5179 -14.900053
3200 18962.776 251.5838 0 3763.2089 -13.706561
3250 19418.837 167.29058 0 3763.3716 -2.0866468
3300 18628.291 313.69067 0 3763.3742 5.9919715
3350 17465.974 529.14439 0 3763.5841 14.122593
3400 18488.661 339.6186 0 3763.4448 21.526798
3450 19163.152 214.26098 0 3762.9928 4.1888096
3500 18000.27 429.81789 0 3763.2011 5.4734485
3550 19582.423 136.71887 0 3763.0935 -2.5335675
3600 19634.325 127.2219 0 3763.208 -1.9728322
3650 19428.114 165.40707 0 3763.2059 -2.3318779
3700 19861.116 85.356944 0 3763.3414 -3.9097609
3750 19337.239 182.43992 0 3763.4102 -3.3559651
3800 19493.146 153.40349 0 3763.2453 -0.71089657
3850 18607.616 317.74889 0 3763.6037 3.475832
3900 19719.59 111.5553 0 3763.3313 0.58876668
3950 19756.661 104.5522 0 3763.1931 3.7526698
4000 17904.708 447.1673 0 3762.854 12.270654
4050 19588.087 135.80435 0 3763.2279 0.94578945
4100 19065.901 232.38235 0 3763.1048 -2.7495195
4150 18775.075 286.2257 0 3763.0915 -3.7039858
4200 18800.725 281.46601 0 3763.0817 0.15619543
4250 19732.687 108.90618 0 3763.1075 3.0865861
4300 18278.151 377.63653 0 3762.4794 1.5768601
4350 17915.757 445.4804 0 3763.2133 -3.7040484
4400 15987.794 802.41575 0 3763.1183 22.252078
4450 19302.37 188.69495 0 3763.2079 0.91081327
4500 20039.32 52.304099 0 3763.2893 -2.0828905
4550 19535.953 145.4374 0 3763.2064 -3.3804255
4600 19700.723 114.79823 0 3763.0803 -1.1761163
4650 17804.641 465.85788 0 3763.0136 7.5947192
4700 19913.881 75.240289 0 3762.996 -2.1100557
4750 19982.484 62.535995 0 3762.996 -4.5821237
4800 17400.76 540.21707 0 3762.58 -5.8418778
4850 19199.88 206.90989 0 3762.4433 3.4536341
4900 19173.92 212.11327 0 3762.8392 5.0387071
4950 19236.635 200.57537 0 3762.9152 -1.4932783
5000 19077.616 230.04967 0 3762.9415 4.3742655
5050 19893.763 78.909747 0 3762.94 -1.5796711
5100 18884.746 265.68301 0 3762.8583 2.2767949
5150 17417.096 537.54036 0 3762.9286 -2.8632555
5200 18247.844 383.60092 0 3762.8312 10.384179
5250 19494.107 152.60532 0 3762.6251 -4.7617287
5300 18739.781 292.46206 0 3762.7919 23.210048
5350 19310.938 186.62363 0 3762.7232 14.895327
5400 19540.39 144.14287 0 3762.7336 6.094624
5450 20074.459 45.247888 0 3762.7403 -2.0871835
5500 19986.377 61.668045 0 3762.849 -2.4551918
5550 19038.904 237.07578 0 3762.7987 5.4250813
5600 19439.124 163.1438 0 3762.9816 4.1291468
5650 19480.321 155.58325 0 3763.0501 -3.5308058
5700 19869.291 83.651379 0 3763.1497 -7.8661592
5750 19991.447 61.068554 0 3763.1884 -6.8473586
5800 19454.072 160.36805 0 3762.9739 1.527662
5850 17994.409 430.95597 0 3763.2539 -5.6078082
5900 19209.794 205.74997 0 3763.1193 8.4113055
5950 19046.427 236.06321 0 3763.1793 10.463356
6000 19409.899 168.95271 0 3763.3785 2.542067
6050 18068.174 417.35443 0 3763.3125 10.498199
6100 19549.253 143.21885 0 3763.4509 2.3075797
6150 18464.719 344.0303 0 3763.4228 0.46469762
6200 19811.205 94.62725 0 3763.3689 1.2382763
6250 18715.36 297.26445 0 3763.0718 -3.4541762
6300 17115.664 594.09913 0 3763.6666 4.2065564
6350 18155.927 400.71764 0 3762.9264 1.1521258
6400 19873.093 83.169067 0 3763.3716 0.16383592
6450 19991.88 61.13218 0 3763.3321 -1.3008128
6500 19434.416 164.40698 0 3763.3728 -13.593422
6550 19855.253 86.645329 0 3763.544 -0.85704037
6600 19251.141 198.41152 0 3763.4376 4.3027745
6650 19741.815 107.69047 0 3763.582 4.994835
6700 19633.466 127.69333 0 3763.5203 6.3677145
6750 16231.353 757.83705 0 3763.6431 -1.5978692
6800 18863.396 270.1114 0 3763.3329 -11.915909
6850 19644.779 125.29421 0 3763.2163 -1.151217
6900 18883.642 266.06889 0 3763.0397 -4.3950749
6950 19042.364 236.54144 0 3762.9052 5.5718878
7000 18351.868 364.38028 0 3762.8743 7.8958273
7050 19981.031 62.840667 0 3763.0316 -5.8572298
7100 19796.372 97.073665 0 3763.0685 -3.5178361
7150 19805.385 95.235221 0 3762.899 -2.5481726
7200 18722.055 295.86113 0 3762.9084 13.826356
7250 19537.304 144.54234 0 3762.5616 1.2288666
7300 18787.328 283.49504 0 3762.6299 9.0044469
7350 18886.005 265.52121 0 3762.9295 6.6791881
7400 19891.864 79.239278 0 3762.9178 -2.3882842
7450 18164.752 399.07065 0 3762.9137 3.9400481
7500 18702.612 299.582 0 3763.0286 4.7987316
7550 19884.986 80.231665 0 3762.6365 -0.75016515
7600 19549.059 142.16243 0 3762.3586 -2.1035756
7650 18223.668 387.9047 0 3762.658 -17.064339
7700 19428.4 164.79531 0 3762.6473 -2.8342541
7750 19239.584 199.93029 0 3762.8163 3.1746033
7800 19458.005 159.46176 0 3762.7961 1.714515
7850 18320.308 369.77051 0 3762.4202 2.1422976
7900 18817.415 278.04812 0 3762.7546 0.94492621
7950 19892.761 79.115928 0 3762.9606 1.4948501
8000 19592.344 134.7639 0 3762.9758 -1.8520224
8050 19316.109 185.70579 0 3762.7631 -4.8061205
8100 19867.017 83.850395 0 3762.9277 -3.496391
8150 19129.936 220.29802 0 3762.8789 -2.8357376
8200 18449.554 346.30415 0 3762.8883 1.4417837
8250 18405.197 354.49049 0 3762.8602 6.7020283
8300 18310.437 372.25376 0 3763.0755 3.9043508
8350 18842.702 273.55075 0 3762.94 -10.987272
8400 18574.308 323.33378 0 3763.0204 12.008785
8450 15368.628 918.21692 0 3764.2591 34.80292
8500 18432.887 349.54013 0 3763.0378 0.00064258465
8550 15777.73 841.79263 0 3763.5945 15.473699
8600 17205.381 576.4515 0 3762.6331 2.3985544
8650 19773.742 101.48276 0 3763.2869 2.3978892
8700 19059.824 232.99716 0 3762.5941 5.2611349
8750 19006.086 243.41125 0 3763.0568 4.7880403
8800 19492.691 153.0188 0 3762.7763 1.9118755
8850 19625.883 128.44474 0 3762.8675 3.4157389
8900 19916.97 74.635094 0 3762.9629 -10.157254
8950 16012.956 798.16801 0 3763.5302 16.904998
9000 19364.051 177.00354 0 3762.9389 -13.373346
9050 19133.929 219.61882 0 3762.9389 -7.3824392
9100 18657.168 307.85939 0 3762.8905 9.3071421
9150 17975.904 434.21548 0 3763.0867 6.9609506
9200 19075.282 230.41699 0 3762.8767 7.0961232
9250 20115.276 37.578674 0 3762.6298 1.8678552
9300 18195.486 393.20682 0 3762.7413 13.272552
9350 19617.155 129.85893 0 3762.6653 -2.0849447
9400 19276.325 193.03425 0 3762.724 -2.8963555
9450 18642.803 310.4759 0 3762.8467 3.407984
9500 19175.951 211.72785 0 3762.8298 -0.39025564
9550 17669.191 490.85942 0 3762.9319 5.3867954
9600 18481.199 340.29485 0 3762.7391 8.9004886
9650 20091.442 42.504743 0 3763.1422 -1.3206133
9700 19651.405 124.04835 0 3763.1975 1.4000525
9750 19138.245 219.03637 0 3763.1558 5.8352794
9800 19189.146 209.67958 0 3763.2251 6.214691
9850 19899.376 78.096337 0 3763.166 -0.75102404
9900 19447.247 161.27279 0 3762.6149 -6.4166376
9950 19807.083 95.152663 0 3763.1309 -0.88933698
10000 18972.157 249.56342 0 3762.9258 1.9189241
Loop time of 4.00036 on 4 procs for 10000 steps with 81 atoms
Performance: 21598.043 tau/day, 2499.774 timesteps/s
99.7% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.0092638 | 0.031034 | 0.052506 | 8.9 | 0.78
Neigh | 0.0083086 | 0.021315 | 0.035568 | 6.7 | 0.53
Comm | 0.10259 | 0.1356 | 0.16345 | 6.8 | 3.39
Output | 0.0045969 | 0.0049881 | 0.0056102 | 0.5 | 0.12
Modify | 3.7245 | 3.7919 | 3.8593 | 2.5 | 94.79
Other | | 0.01554 | | | 0.39
Nlocal: 20.25 ave 37 max 0 min
Histogram: 1 0 1 0 0 0 0 0 0 2
Nghost: 17.75 ave 33 max 4 min
Histogram: 2 0 0 0 0 0 0 0 1 1
Neighs: 144.75 ave 356 max 0 min
Histogram: 2 0 0 0 0 0 1 0 0 1
Total # of neighbors = 579
Ave neighs/atom = 7.14815
Neighbor list builds = 994
Dangerous builds = 958
Please see the log.cite file for references relevant to this simulation
Total wall time: 0:00:04
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