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lammps/examples/rigid/log.15Feb16.rigid.poems.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
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.poems
#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
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 = 2.4412 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 -0.8669916
1200 21815.003 45.317417 0 3681.1512 1.5988314
1250 18655.437 572.41453 0 3681.654 10.064076
1300 20780.781 217.36504 0 3680.8286 6.0538619
1350 20558.972 254.3648 0 3680.8601 -3.6773987
1400 21485.029 99.812949 0 3680.6511 -16.185471
1450 21771.108 52.15959 0 3680.6775 -2.4756681
1500 21520.948 93.503949 0 3680.3286 2.1023578
1550 21351.418 121.6814 0 3680.2511 5.5159978
1600 20778.805 216.92171 0 3680.0559 15.089182
1650 21477.639 100.2182 0 3679.8247 -1.1045944
1700 18501.343 596.47853 0 3680.0357 -15.67963
1750 18563.643 587.34767 0 3681.2882 33.532167
1800 19110.19 494.82264 0 3679.8543 18.024034
1850 21364.196 119.23454 0 3679.9339 2.5291491
1900 20146.643 322.14595 0 3679.9197 5.731152
1950 20692.67 231.25357 0 3680.0319 4.2977641
2000 20943.904 189.11223 0 3679.763 -22.645645
2050 19668.152 401.81407 0 3679.8394 3.6255896
2100 20280.572 299.73976 0 3679.8351 7.4809355
2150 19182.121 483.47905 0 3680.4992 22.615309
2200 21299.76 130.77281 0 3680.7327 4.7114154
2250 20487.784 266.4995 0 3681.1302 -8.6406776
2300 18655.125 571.91487 0 3681.1023 -5.2671669
2350 21512.614 95.766913 0 3681.2025 -9.3523428
2400 21467.773 103.31519 0 3681.2773 -29.600307
2450 20096.937 332.80159 0 3682.2911 35.890912
2500 20761.446 222.16118 0 3682.4022 -12.528127
2550 20409.6 280.67234 0 3682.2723 -22.277373
2600 21469.964 103.95529 0 3682.2826 -10.038267
2650 20708.138 231.00516 0 3682.3615 5.3659502
2700 18584.743 585.07862 0 3682.5357 21.785261
2750 20503.019 264.91491 0 3682.0847 -4.5583917
2800 20584.075 251.44664 0 3682.1258 -6.5084595
2850 17277.076 802.33356 0 3681.8462 15.519513
2900 19392.956 449.92915 0 3682.0885 -4.3829957
2950 18371.786 620.29835 0 3682.2626 7.2117592
3000 20412.015 280.25302 0 3682.2555 0.32492606
3050 20858.248 205.65269 0 3682.0273 4.5055715
3100 21561.094 88.438447 0 3681.9541 -3.7523733
3150 15471.278 1103.4497 0 3681.9961 -14.576367
3200 15386.973 1117.8815 0 3682.377 15.051163
3250 19741.037 392.04755 0 3682.2204 -2.6610995
3300 20870.191 203.58229 0 3681.9475 -4.7795545
3350 16648.228 907.66571 0 3682.3704 -8.9242511
3400 20104.016 331.58603 0 3682.2554 6.4783858
3450 21421.316 112.28228 0 3682.5015 -8.3484987
3500 19284.533 467.80739 0 3681.8962 -12.835452
3550 20160.125 322.4476 0 3682.4684 1.6574827
3600 16682.415 902.73752 0 3683.14 22.383296
3650 16762.19 890.14636 0 3683.8446 16.119412
3700 17858.568 707.37212 0 3683.8 -1.6582504
3750 20029.881 345.15986 0 3683.4733 -3.1415889
3800 20734 227.99158 0 3683.6582 -7.9580418
3850 20741.089 226.39408 0 3683.2423 8.3055765
3900 18671.251 571.42296 0 3683.2981 -3.7468858
3950 19547.209 423.14256 0 3681.0108 5.8312279
4000 19739.799 393.58799 0 3683.5544 18.604884
4050 20014.121 347.8176 0 3683.5044 9.93387
4100 20503.654 266.08691 0 3683.3626 8.1304118
4150 18309.702 632.29807 0 3683.9151 -0.0021480359
4200 20509.423 265.60353 0 3683.8408 -2.1658857
4250 21805.541 50.325935 0 3684.5828 1.082842
4300 21420.551 114.90431 0 3684.9962 -1.7985998
4350 20256.928 308.74187 0 3684.8966 -11.669472
4400 21633.488 79.629274 0 3685.2106 -0.96131785
4450 20793.327 219.66955 0 3685.2241 1.3752349
4500 18719.484 564.86754 0 3684.7816 2.6308699
4550 20966.335 190.68308 0 3685.0722 -18.587627
4600 19428.962 446.59618 0 3684.7565 -4.4051672
4650 18408.956 616.85009 0 3685.0095 2.777272
4700 19215.779 482.57562 0 3685.2054 19.441016
4750 20155.927 326.13401 0 3685.4553 6.1734993
4800 20918.085 199.31832 0 3685.6659 3.4407437
4850 20236.958 312.07276 0 3684.899 3.2612893
4900 21419.89 115.36879 0 3685.3505 -4.675951
4950 19707.901 401.14828 0 3685.7985 -10.730734
5000 19407.201 450.64394 0 3685.1775 17.518981
5050 21527.598 97.655186 0 3685.5882 -9.2294707
5100 21581.933 88.595517 0 3685.5843 -20.669485
5150 21161.214 158.48503 0 3685.3541 -2.7587502
5200 21166.679 157.24762 0 3685.0275 -18.180044
5250 20909.576 200.23507 0 3685.1644 -16.617303
5300 21911.746 33.236563 0 3685.1942 -5.8313967
5350 20857.303 208.87453 0 3685.0916 12.176312
5400 20958.96 191.96694 0 3685.1269 3.6116429
5450 20433.179 279.61178 0 3685.1415 13.324529
5500 19604.675 416.88499 0 3684.3308 21.536484
5550 18171.145 655.92915 0 3684.4534 -9.2269804
5600 19799.907 385.12116 0 3685.1056 22.202165
5650 19711.882 399.30581 0 3684.6194 15.93063
5700 17908.833 699.52405 0 3684.3295 0.35530356
5750 18606.518 583.538 0 3684.6243 -4.4540843
5800 21814.053 48.974627 0 3684.6501 -1.5206358
5850 18029.107 679.9357 0 3684.7868 12.137677
5900 21090.739 169.64502 0 3684.7682 -1.5051545
5950 21086.26 170.29075 0 3684.6674 -2.8164474
6000 21285.771 136.95608 0 3684.5846 -26.582739
6050 21203.994 150.87822 0 3684.8772 -2.6617226
6100 21481.553 104.57796 0 3684.8368 -16.524974
6150 20354.4 292.57675 0 3684.9767 2.7960207
6200 21326.591 130.75243 0 3685.1843 -1.5929194
6250 21505.087 101.07817 0 3685.2593 -3.7821931
6300 21296.273 135.6593 0 3685.0382 -0.55635908
6350 21295.389 135.86485 0 3685.0964 5.6614093
6400 16552.242 926.02655 0 3684.7336 14.177218
6450 20148.951 327.1151 0 3685.2736 7.4561085
6500 20962.151 191.79415 0 3685.486 -4.5436711
6550 21710.328 67.433972 0 3685.8219 -5.7678572
6600 20698.571 234.79099 0 3684.5528 -2.1984068
6650 17892.287 704.05484 0 3686.1026 11.525836
6700 21272.999 141.26589 0 3686.7657 0.44088069
6750 19558.993 426.46448 0 3686.2966 -16.907401
6800 20350.247 295.23951 0 3686.9474 1.1284348
6850 18665.05 573.5326 0 3684.3742 17.088712
6900 19769.199 392.1551 0 3687.0216 6.7562425
6950 19439.159 446.99138 0 3686.8512 -6.0105763
7000 19379.907 456.53471 0 3686.5192 -9.0505095
7050 19983.754 356.02523 0 3686.651 -5.6274314
7100 19867.737 375.47627 0 3686.7658 17.315482
7150 19258.794 477.47344 0 3687.2724 14.316676
7200 21282.428 139.96051 0 3687.0318 -0.77043459
7250 19828.603 381.98919 0 3686.7564 6.5142869
7300 20574.582 257.8245 0 3686.9215 -3.6547118
7350 21613.467 84.771568 0 3687.0161 -7.5188826
7400 21817.009 50.844944 0 3687.0131 -14.888864
7450 14937.538 1197.4257 0 3687.0154 1.7540499
7500 18326.914 632.40374 0 3686.8894 8.3397357
7550 13611.007 1418.4727 0 3686.9739 -19.379482
7600 19173.985 491.9482 0 3687.6123 17.229001
7650 16911.504 867.33649 0 3685.9204 -21.042834
7700 21752.116 61.143705 0 3686.4963 -10.344487
7750 20208.337 318.26355 0 3686.3197 13.385814
7800 21649.909 77.950987 0 3686.2692 -1.7911084
7850 20139.64 329.50319 0 3686.1098 -5.5805093
7900 21355.026 126.7642 0 3685.9352 -7.7062172
7950 21336.178 129.88925 0 3685.9188 -2.059298
8000 21047.596 177.71546 0 3685.6482 0.37963466
8050 19217.351 482.62331 0 3685.5152 6.5582595
8100 20499.057 268.7173 0 3685.2268 -1.1959737
8150 21494.301 102.83829 0 3685.2219 -1.6427647
8200 20074.928 339.19817 0 3685.0195 6.285123
8250 17335.157 793.47566 0 3682.6685 22.877381
8300 17340.544 794.62619 0 3684.7168 3.9147755
8350 20529.345 262.51162 0 3684.0691 4.031768
8400 18884.747 537.47827 0 3684.9361 22.853404
8450 20341.86 293.10484 0 3683.4148 0.33856656
8500 19300.282 467.58127 0 3684.2949 12.35507
8550 21631.936 78.254534 0 3683.5772 -10.992959
8600 20204.913 316.83233 0 3684.3178 20.74228
8650 21018.189 181.32054 0 3684.352 1.8412068
8700 20161.304 323.97907 0 3684.1964 -2.646629
8750 19081.79 504.00155 0 3684.2998 -10.088053
8800 20834.489 211.76247 0 3684.1773 14.896336
8850 20929.355 196.18335 0 3684.4092 -1.2602398
8900 21491.074 102.47788 0 3684.3235 -1.4696758
8950 20474.735 271.69461 0 3684.1504 -6.9489258
9000 21128.641 162.40732 0 3683.8474 -7.7928168
9050 18421.801 614.46442 0 3684.7646 24.40313
9100 19301.292 466.98873 0 3683.8707 4.4687046
9150 21575.705 88.213763 0 3684.1646 -0.94696984
9200 20004.776 350.05448 0 3684.1838 -7.3466605
9250 21384.079 120.14472 0 3684.1578 -8.3773844
9300 21980.599 20.702393 0 3684.1356 -12.666293
9350 21686.606 69.517984 0 3683.9524 -8.8366533
9400 20732.704 228.46247 0 3683.9131 -6.4080307
9450 19798.859 384.34696 0 3684.1568 7.6198484
9500 20270.695 305.22664 0 3683.6758 1.5862486
9550 16496.156 935.28481 0 3684.6441 15.001468
9600 20642.429 241.08853 0 3681.4934 -9.2159382
9650 21292.587 135.4474 0 3684.2119 -0.54770976
9700 18888.158 536.60518 0 3684.6315 5.3236926
9750 18750.018 559.35922 0 3684.3623 -9.9424949
9800 20544.772 259.71076 0 3683.8394 8.732202
9850 16698.125 901.90076 0 3684.9216 9.9553329
9900 21450.963 109.58687 0 3684.7474 -4.8001999
9950 20664.461 240.66995 0 3684.7468 -3.4840781
10000 18951.367 526.45428 0 3685.0155 21.512727
Loop time of 3.8586 on 4 procs for 10000 steps with 81 atoms
Performance: 22391.551 tau/day, 2591.615 timesteps/s
99.6% CPU use with 4 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 0.014034 | 0.040794 | 0.089783 | 14.9 | 1.06
Neigh | 0.012468 | 0.027018 | 0.055093 | 10.5 | 0.70
Comm | 0.13187 | 0.18206 | 0.2474 | 11.1 | 4.72
Output | 0.0053496 | 0.0060334 | 0.0076718 | 1.2 | 0.16
Modify | 3.5463 | 3.5828 | 3.6347 | 2.0 | 92.85
Other | | 0.01995 | | | 0.52
Nlocal: 20.25 ave 81 max 0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Nghost: 46.25 ave 95 max 14 min
Histogram: 2 0 0 0 0 1 0 0 0 1
Neighs: 249.25 ave 997 max 0 min
Histogram: 3 0 0 0 0 0 0 0 0 1
Total # of neighbors = 997
Ave neighs/atom = 12.3086
Neighbor list builds = 993
Dangerous builds = 943
Please see the log.cite file for references relevant to this simulation
Total wall time: 0:00:03
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