Homec4science
Diffusion lammps (master) Browse

lammps/examples/rigid/log.rigid.poems2.22Jun07.liberty.4
f95ccaf03551master

Last Change
Raw File

log.rigid.poems2.22Jun07.liberty.4
View Options

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
c4science · Help