2025 lines
152 KiB
Groff
2025 lines
152 KiB
Groff
LAMMPS (19 Nov 2024 - Development - patch_19Nov2024-1034-ged627579f6-modified)
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# Load then unload four cantilevers with different plastic yield strains
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# model from DOI: 10.1016/j.powtec.2024.120563
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units lj
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dimension 3
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boundary p s s
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atom_style bond
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special_bonds lj 0.0 1.0 1.0 coul 0.0 1.0 1.0
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newton on off
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comm_modify vel yes cutoff 2.6
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lattice fcc 1.41
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Lattice spacing in x,y,z = 1.4156209 1.4156209 1.4156209
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region box block 0 20 -1 41 -5 5 units box
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create_box 4 box bond/types 4 extra/bond/per/atom 20 extra/special/per/atom 50
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Created orthogonal box = (0 -1 -5) to (20 41 5)
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1 by 1 by 1 MPI processor grid
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mass * 1.0
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# Create initial disordered geometry somewhat near jamming
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region cantilever block 3.0 12.0 0 40 -2.5 2.5 units box
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region cantileverw block 2.0 13.0 -1 41 -3.5 3.5 units box
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create_atoms 1 region cantilever
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Created 2394 atoms
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using lattice units in orthogonal box = (0 -1.0042 -5.001) to (20 41.0042 5.001)
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create_atoms CPU = 0.001 seconds
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velocity all create 0.1 345910
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pair_style bpm/spring
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pair_coeff * * 1.0 1.0 1.0
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fix 1 all nve
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fix wtemp all wall/region cantileverw harmonic 1.0 1.0 1.0
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thermo_style custom step ke pe pxx pyy pzz
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thermo 100
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timestep 0.1
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run 20000
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Generated 0 of 6 mixed pair_coeff terms from geometric mixing rule
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Neighbor list info ...
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update: every = 1 steps, delay = 0 steps, check = yes
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max neighbors/atom: 2000, page size: 100000
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master list distance cutoff = 1.3
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ghost atom cutoff = 2.6
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binsize = 0.65, bins = 31 65 16
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1 neighbor lists, perpetual/occasional/extra = 1 0 0
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(1) pair bpm/spring, perpetual
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attributes: half, newton on
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pair build: half/bin/newton
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stencil: half/bin/3d
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bin: standard
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Per MPI rank memory allocation (min/avg/max) = 9.752 | 9.752 | 9.752 Mbytes
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Step KinEng PotEng Pxx Pyy Pzz
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0 0.14993734 0 0.071514461 0.070121562 0.071454556
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100 0.0066788839 0.0029982274 0.016637041 0.016868542 0.015823802
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200 0.0019715508 0.00071490141 0.007843495 0.0076223765 0.0067662021
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300 0.00087217257 0.00026043228 0.003985349 0.004259066 0.0040664397
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400 0.00050307484 0.00011882009 0.0024899485 0.0025393633 0.0024477801
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500 0.00033241763 6.5955939e-05 0.0016895447 0.0018048761 0.0017308071
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600 0.00023663671 4.4828066e-05 0.0013515511 0.001353668 0.0013208904
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700 0.0001837694 2.7185024e-05 0.00094852029 0.0010286312 0.00099370739
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800 0.00014655165 1.8873405e-05 0.00075979673 0.0008230931 0.00075345331
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900 0.00012145909 1.4344012e-05 0.00060702604 0.00068683252 0.00061213385
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1000 0.00010239299 1.2153676e-05 0.00055078741 0.00060838425 0.00054159268
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1100 8.8075366e-05 9.9954299e-06 0.00045915185 0.00057179945 0.00047014896
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1200 7.8336822e-05 7.4598572e-06 0.00038286385 0.000423282 0.00040077777
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1300 6.8617848e-05 7.4071518e-06 0.00038962894 0.00045042653 0.00042176853
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1400 6.1816066e-05 5.7757188e-06 0.00035626235 0.00037452754 0.00033148835
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1500 5.5158763e-05 5.3010672e-06 0.00032659745 0.00035059437 0.0003143055
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1600 5.0680523e-05 4.4203877e-06 0.00027420802 0.00032194903 0.00030193132
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1700 4.6020086e-05 4.0228214e-06 0.00026909527 0.00029969818 0.00027492066
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1800 4.1968387e-05 3.9751303e-06 0.00027184181 0.00028203292 0.00026747334
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1900 3.8741903e-05 3.5539155e-06 0.00024183418 0.00026550737 0.00025356968
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2000 3.6204768e-05 2.9462894e-06 0.00022277001 0.00025408288 0.0002123446
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2100 3.3266509e-05 2.8028832e-06 0.00021917117 0.00024069099 0.00020369452
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2200 3.102664e-05 2.6085678e-06 0.0001882006 0.00023685724 0.00019134947
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2300 2.903812e-05 2.3143895e-06 0.0001749797 0.00021704715 0.00019021214
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2400 2.7141792e-05 2.1848123e-06 0.00018014226 0.00020933228 0.00017930569
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2500 2.5612882e-05 1.8545406e-06 0.00017807794 0.00016882959 0.0001750063
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2600 2.4068378e-05 1.7104525e-06 0.00015853683 0.000178264 0.00015848288
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2700 2.2573196e-05 1.7771307e-06 0.00015577573 0.00017747772 0.00016654472
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2800 2.1422175e-05 1.4847142e-06 0.00014322637 0.00013897114 0.00014490629
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2900 2.0433268e-05 1.3514585e-06 0.00012745407 0.00014678277 0.000135221
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3000 1.9204132e-05 1.3849721e-06 0.00012986068 0.00015084177 0.00014142185
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3100 1.8212704e-05 1.2748732e-06 0.00013317833 0.00014368027 0.00013451894
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3200 1.7326097e-05 1.3213286e-06 0.00012777819 0.00014793494 0.00012886678
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3300 1.6615969e-05 1.1158927e-06 0.00011223033 0.00012323335 0.0001210878
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3400 1.5855041e-05 1.1229014e-06 0.00011468711 0.00013243589 0.00012051018
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3500 1.532374e-05 8.888678e-07 0.00010638549 0.00011430069 0.00010089698
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3600 1.467535e-05 8.7654654e-07 8.8094885e-05 0.00011642682 0.00010671988
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3700 1.4062105e-05 8.1807269e-07 9.4265348e-05 0.0001161673 9.3404926e-05
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3800 1.3552196e-05 8.3487647e-07 8.6030873e-05 0.00011280194 0.0001010521
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3900 1.3022591e-05 7.9989391e-07 0.00010119027 0.00010258667 9.1434393e-05
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4000 1.2525445e-05 8.1520281e-07 9.5211467e-05 0.00010785495 9.97298e-05
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4100 1.2181734e-05 6.4410557e-07 9.4373715e-05 8.9279858e-05 7.9893316e-05
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4200 1.1704251e-05 7.0450874e-07 8.0872404e-05 9.4334475e-05 8.8302993e-05
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4300 1.1280286e-05 7.1408139e-07 9.1119222e-05 8.5870034e-05 8.8445587e-05
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4400 1.1016643e-05 6.0873467e-07 7.9024773e-05 8.1967988e-05 8.5977338e-05
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4500 1.0668349e-05 5.8516931e-07 7.8294095e-05 8.0043527e-05 8.4715888e-05
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4600 1.0331041e-05 5.7376843e-07 7.5679063e-05 8.2398328e-05 7.4278168e-05
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4700 1.0004816e-05 5.4597537e-07 7.2607537e-05 7.7956907e-05 6.9095147e-05
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4800 9.7594591e-06 5.2681078e-07 7.6737892e-05 6.79129e-05 7.2013864e-05
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4900 9.4372215e-06 5.108678e-07 7.1926492e-05 7.6336467e-05 7.2404427e-05
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5000 9.2301398e-06 4.9943356e-07 6.9272822e-05 7.4437007e-05 6.8591392e-05
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5100 8.9087719e-06 5.0137676e-07 7.1953364e-05 7.0112306e-05 7.1894235e-05
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5200 8.6733384e-06 4.6530133e-07 5.9160431e-05 7.2957759e-05 6.7731265e-05
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5300 8.5237067e-06 4.0166784e-07 5.6976938e-05 6.4780167e-05 6.2493655e-05
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5400 8.2585748e-06 3.9144457e-07 5.6287251e-05 6.5281415e-05 6.4678701e-05
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5500 8.1089159e-06 3.5903718e-07 6.2738749e-05 5.8042636e-05 5.1954549e-05
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5600 7.8605737e-06 3.9176106e-07 6.1198736e-05 6.5959291e-05 5.8081374e-05
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5700 7.6788462e-06 3.8505614e-07 5.5766462e-05 6.4100303e-05 6.0012403e-05
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5800 7.5163424e-06 3.4531571e-07 5.326349e-05 6.1833688e-05 4.8218455e-05
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5900 7.3552892e-06 3.1726542e-07 5.2593444e-05 5.3015093e-05 5.2366381e-05
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6000 7.1550139e-06 3.188599e-07 4.7713401e-05 5.6322276e-05 5.2424598e-05
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6100 7.0361757e-06 3.0641052e-07 4.7286992e-05 5.8028248e-05 5.2063931e-05
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6200 6.8801441e-06 2.7974487e-07 5.3580486e-05 4.6047586e-05 4.7327222e-05
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6300 6.6802143e-06 3.3499395e-07 5.8400669e-05 5.5627535e-05 4.7978034e-05
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6400 6.5789434e-06 2.8602311e-07 5.0198228e-05 5.5844532e-05 4.877662e-05
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6500 6.4436475e-06 2.6008325e-07 4.7602086e-05 4.4486849e-05 4.6404674e-05
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6600 6.2843629e-06 2.7832981e-07 4.7074622e-05 4.6606369e-05 4.9936757e-05
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6700 6.1703075e-06 2.8089174e-07 4.7083973e-05 4.6575052e-05 5.0006622e-05
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6800 6.0794707e-06 2.5065496e-07 4.3818817e-05 4.8409259e-05 3.8917908e-05
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6900 5.9095362e-06 2.8634305e-07 5.2986415e-05 4.8027488e-05 5.1770643e-05
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7000 5.8364704e-06 2.4891212e-07 4.3004439e-05 4.6236407e-05 4.203024e-05
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7100 5.676111e-06 2.8000071e-07 4.2647162e-05 5.4717075e-05 4.5375773e-05
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7200 5.6485498e-06 2.0372933e-07 3.7420101e-05 4.5276234e-05 3.716119e-05
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7300 5.4828422e-06 2.3962736e-07 4.4493988e-05 4.3446503e-05 4.673755e-05
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7400 5.3980604e-06 2.3856758e-07 4.0222008e-05 4.6533781e-05 4.3072176e-05
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7500 5.3006008e-06 2.2358346e-07 4.0025366e-05 3.6897725e-05 4.4834626e-05
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7600 5.197958e-06 2.3660321e-07 4.0784719e-05 4.4961031e-05 4.2087955e-05
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7700 5.1806799e-06 1.7718602e-07 3.2411759e-05 3.9110371e-05 3.8802708e-05
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7800 5.0962887e-06 1.7412195e-07 3.6552483e-05 3.5361276e-05 3.2904976e-05
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7900 4.9703998e-06 2.1337014e-07 4.3936409e-05 4.0886722e-05 3.9732939e-05
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8000 4.9053377e-06 1.7953438e-07 3.7608294e-05 3.4731494e-05 3.6081071e-05
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8100 4.8171492e-06 1.9697727e-07 3.3678657e-05 4.1808664e-05 4.1007093e-05
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8200 4.7721132e-06 1.7544811e-07 3.4665105e-05 3.2777884e-05 3.774731e-05
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8300 4.708456e-06 1.6203898e-07 3.7062724e-05 3.4881585e-05 2.9315416e-05
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8400 4.6397062e-06 1.3777361e-07 3.1993062e-05 2.840598e-05 2.8943249e-05
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8500 4.5983716e-06 1.3333705e-07 3.2032331e-05 3.1515185e-05 2.7257332e-05
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8600 4.5175708e-06 1.4915416e-07 3.0728382e-05 3.0468802e-05 3.1961748e-05
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8700 4.4347789e-06 1.5492856e-07 3.0961313e-05 3.4774356e-05 2.957729e-05
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8800 4.3438643e-06 1.9416152e-07 3.5496445e-05 3.650361e-05 3.7686819e-05
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8900 4.2916882e-06 1.7972527e-07 3.4999135e-05 3.4301174e-05 3.369003e-05
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9000 4.2420397e-06 1.653212e-07 3.2002391e-05 3.5994842e-05 3.6333896e-05
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9100 4.156708e-06 1.7541257e-07 3.1781091e-05 3.3713908e-05 3.6414424e-05
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9200 4.1206942e-06 1.6684543e-07 3.1148086e-05 3.4009984e-05 3.6543294e-05
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9300 4.0739027e-06 1.5661214e-07 3.2100841e-05 3.1002639e-05 3.2377644e-05
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9400 4.0749842e-06 1.1325533e-07 2.7132088e-05 2.6729932e-05 2.6505394e-05
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9500 4.0182431e-06 1.1916661e-07 2.8267149e-05 2.7495849e-05 2.5348393e-05
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9600 3.9394743e-06 1.4897486e-07 3.1303396e-05 2.8986697e-05 3.3906299e-05
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9700 3.9202642e-06 1.1265772e-07 2.6904853e-05 2.9419644e-05 2.3388387e-05
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9800 3.8563029e-06 1.4201267e-07 2.9742419e-05 3.0333264e-05 2.8597551e-05
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9900 3.8407551e-06 1.0925008e-07 2.4813089e-05 2.518408e-05 2.5132946e-05
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10000 3.8031732e-06 1.0429945e-07 2.4587006e-05 2.4160366e-05 2.2475372e-05
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10100 3.7403802e-06 1.188634e-07 2.621425e-05 2.747381e-05 2.7423478e-05
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10200 3.6933569e-06 1.177636e-07 2.3506114e-05 3.0373875e-05 2.7330288e-05
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10300 3.6359757e-06 1.3540565e-07 2.4720627e-05 3.1264106e-05 3.0431809e-05
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10400 3.6158282e-06 1.1027073e-07 2.6627036e-05 2.5041131e-05 2.3909283e-05
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10500 3.5857824e-06 1.0049365e-07 2.5306577e-05 2.7251152e-05 2.1635787e-05
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10600 3.5260536e-06 1.1579533e-07 2.581535e-05 2.7130923e-05 2.4935895e-05
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10700 3.5024547e-06 1.0954559e-07 2.5027035e-05 2.8379233e-05 2.2447535e-05
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10800 3.4853309e-06 9.4720082e-08 2.2724388e-05 2.0056563e-05 2.3309701e-05
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10900 3.4396529e-06 1.0829632e-07 2.5958339e-05 2.6491256e-05 2.1617336e-05
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11000 3.3987023e-06 9.7092727e-08 2.2470175e-05 2.2846816e-05 2.091066e-05
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11100 3.3606128e-06 9.8398405e-08 2.2648156e-05 2.4731296e-05 2.0418175e-05
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11200 3.3396876e-06 7.6470057e-08 1.9873816e-05 1.9797248e-05 1.9115439e-05
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11300 3.3041431e-06 9.3155692e-08 2.3746612e-05 2.3286585e-05 1.93667e-05
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11400 3.2797866e-06 9.0584145e-08 2.1717142e-05 2.5320734e-05 2.118408e-05
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11500 3.2454003e-06 8.5422835e-08 2.2434639e-05 1.920118e-05 2.0617104e-05
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11600 3.1819911e-06 1.1244129e-07 1.791276e-05 2.6915583e-05 2.355823e-05
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11700 3.1635572e-06 1.0031236e-07 2.2122734e-05 2.3651576e-05 2.2707601e-05
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11800 3.1420932e-06 8.9733842e-08 2.0691568e-05 2.1346189e-05 2.3543388e-05
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11900 3.1066705e-06 9.1501672e-08 2.0236573e-05 2.2932414e-05 1.9990374e-05
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12000 3.0745943e-06 8.9277079e-08 2.0150526e-05 2.2352883e-05 1.8398403e-05
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12100 3.0733981e-06 7.4616245e-08 1.9385797e-05 1.7454795e-05 1.9264248e-05
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12200 3.0257929e-06 9.2174543e-08 1.869441e-05 2.4202442e-05 2.2015e-05
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12300 3.0234068e-06 6.5090899e-08 1.767132e-05 1.9462735e-05 1.6725567e-05
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12400 3.0027086e-06 6.2193553e-08 1.4880016e-05 2.0662066e-05 1.8614087e-05
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12500 2.9319141e-06 1.0097547e-07 2.1488942e-05 2.1615501e-05 2.148531e-05
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12600 2.9289151e-06 7.6302482e-08 1.7692348e-05 1.8642681e-05 1.7425701e-05
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12700 2.90702e-06 7.6215717e-08 1.9509559e-05 1.8415327e-05 2.2776532e-05
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|
12800 2.8758381e-06 7.9105433e-08 1.8521166e-05 2.0454146e-05 2.0370962e-05
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12900 2.8317602e-06 9.1385197e-08 2.0335336e-05 2.4975614e-05 2.0240701e-05
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13000 2.8410057e-06 6.0044423e-08 1.629434e-05 1.823554e-05 1.511721e-05
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13100 2.782039e-06 8.4410675e-08 2.0919093e-05 2.0809882e-05 1.8657917e-05
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13200 2.791875e-06 5.337143e-08 1.5825524e-05 1.9356399e-05 1.2911019e-05
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13300 2.7487173e-06 7.6547916e-08 1.962803e-05 1.8981737e-05 2.0142921e-05
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13400 2.7299962e-06 6.7372367e-08 1.7153528e-05 1.8103989e-05 1.7732609e-05
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13500 2.7057441e-06 7.2429583e-08 1.9019906e-05 1.9691015e-05 1.9578145e-05
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13600 2.6778573e-06 8.0573212e-08 1.8433433e-05 2.0729038e-05 2.0267435e-05
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13700 2.6826077e-06 4.4511734e-08 1.3084576e-05 1.5000823e-05 1.3750559e-05
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13800 2.647424e-06 5.9574367e-08 1.4631775e-05 1.4306273e-05 1.7157491e-05
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13900 2.6110162e-06 7.4881186e-08 1.7818332e-05 2.148169e-05 1.7463563e-05
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14000 2.6014529e-06 6.3294079e-08 1.5635773e-05 1.7333417e-05 1.6871959e-05
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14100 2.5707329e-06 7.3706564e-08 1.691795e-05 2.2276988e-05 1.7435609e-05
|
|
14200 2.5693783e-06 5.5754478e-08 1.6045272e-05 1.5266604e-05 1.6872656e-05
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14300 2.543378e-06 5.6841288e-08 1.7342484e-05 1.6861913e-05 1.5333195e-05
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14400 2.5180009e-06 6.7438588e-08 1.7569821e-05 1.8124358e-05 1.8789645e-05
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14500 2.505371e-06 5.8372098e-08 1.5370256e-05 1.7944439e-05 1.3727925e-05
|
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14600 2.50052e-06 5.2960357e-08 1.2874059e-05 1.6976938e-05 1.5523433e-05
|
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14700 2.4677314e-06 5.6098859e-08 1.5234684e-05 1.4810739e-05 1.6137648e-05
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14800 2.4431342e-06 6.9542809e-08 1.7307233e-05 1.675592e-05 1.8785122e-05
|
|
14900 2.4217996e-06 6.5392872e-08 1.8214833e-05 1.7872976e-05 1.6079527e-05
|
|
15000 2.4223306e-06 4.8254257e-08 1.6243518e-05 1.3430592e-05 1.4053815e-05
|
|
15100 2.3971545e-06 5.8012806e-08 1.5024579e-05 1.5105347e-05 1.3560674e-05
|
|
15200 2.3734628e-06 5.4310001e-08 1.3063191e-05 1.5414145e-05 1.5458277e-05
|
|
15300 2.3523286e-06 6.1640634e-08 1.7876627e-05 1.6249813e-05 1.687417e-05
|
|
15400 2.3489693e-06 4.7278336e-08 1.2011731e-05 1.2230688e-05 1.678822e-05
|
|
15500 2.3284108e-06 5.2715812e-08 1.3176372e-05 1.6503583e-05 1.3955123e-05
|
|
15600 2.2947375e-06 6.7465869e-08 1.5326712e-05 1.9881502e-05 1.6487331e-05
|
|
15700 2.3019796e-06 4.8005103e-08 1.4590446e-05 1.4276946e-05 1.4055723e-05
|
|
15800 2.2826912e-06 4.9641879e-08 1.3481867e-05 1.6276418e-05 1.3419255e-05
|
|
15900 2.2583072e-06 5.4614844e-08 1.7382114e-05 1.604672e-05 1.4741544e-05
|
|
16000 2.2430797e-06 4.8420384e-08 1.2843624e-05 1.2618834e-05 1.2491054e-05
|
|
16100 2.2264678e-06 4.796181e-08 1.4438989e-05 1.5552177e-05 1.2048946e-05
|
|
16200 2.2123007e-06 5.2907699e-08 1.2747032e-05 1.4431874e-05 1.6152188e-05
|
|
16300 2.1942666e-06 5.1538008e-08 1.3243122e-05 1.4793006e-05 1.4855916e-05
|
|
16400 2.1800741e-06 5.0280071e-08 1.1549921e-05 1.5836438e-05 1.5087605e-05
|
|
16500 2.1718081e-06 4.2144732e-08 1.4603756e-05 1.3084635e-05 1.2983558e-05
|
|
16600 2.15145e-06 4.6326815e-08 1.4904114e-05 1.4500088e-05 1.2283839e-05
|
|
16700 2.1563978e-06 3.2862475e-08 1.1841441e-05 1.2463519e-05 1.0662253e-05
|
|
16800 2.1128692e-06 5.462978e-08 1.3455978e-05 1.6216741e-05 1.4636363e-05
|
|
16900 2.1178726e-06 3.6500222e-08 1.1666564e-05 1.2789709e-05 9.6393609e-06
|
|
17000 2.1058751e-06 3.6428095e-08 1.3109685e-05 1.304962e-05 1.0397847e-05
|
|
17100 2.0817867e-06 5.1894295e-08 1.5527039e-05 1.442429e-05 1.1662417e-05
|
|
17200 2.0697616e-06 4.8400908e-08 1.2051247e-05 1.4854095e-05 1.4277423e-05
|
|
17300 2.0496506e-06 5.1765629e-08 1.5484172e-05 1.6516861e-05 1.3787806e-05
|
|
17400 2.0318945e-06 5.0178134e-08 1.2610435e-05 1.5926848e-05 1.3146463e-05
|
|
17500 2.0312975e-06 4.2775082e-08 1.1413756e-05 1.2303892e-05 1.332512e-05
|
|
17600 2.0286562e-06 3.3246228e-08 9.9623166e-06 1.1190246e-05 1.0713751e-05
|
|
17700 2.0057117e-06 4.1465626e-08 1.28564e-05 1.2354674e-05 1.1732572e-05
|
|
17800 1.9775891e-06 5.3253383e-08 1.3320474e-05 1.6084721e-05 1.1697579e-05
|
|
17900 1.9763707e-06 4.0037754e-08 1.0787927e-05 1.0905895e-05 1.2524822e-05
|
|
18000 1.9659819e-06 4.2213997e-08 1.0786016e-05 1.356023e-05 1.3052018e-05
|
|
18100 1.962808e-06 3.1950711e-08 1.0829314e-05 1.246617e-05 1.1079602e-05
|
|
18200 1.9360469e-06 4.3810974e-08 1.382493e-05 1.245849e-05 1.2288243e-05
|
|
18300 1.9407685e-06 3.0042901e-08 7.3716082e-06 1.109871e-05 1.226921e-05
|
|
18400 1.910359e-06 4.7042217e-08 1.3644803e-05 1.4884969e-05 1.1956804e-05
|
|
18500 1.8946497e-06 5.0743345e-08 1.1974771e-05 1.4385508e-05 1.7610709e-05
|
|
18600 1.8962987e-06 3.9757677e-08 1.0582884e-05 1.2673246e-05 1.3298389e-05
|
|
18700 1.8742478e-06 4.4718119e-08 1.5344401e-05 1.2546575e-05 1.1764246e-05
|
|
18800 1.8650878e-06 3.7704721e-08 1.07802e-05 1.2917662e-05 9.5373738e-06
|
|
18900 1.8685713e-06 3.6504734e-08 1.0815769e-05 1.3268273e-05 9.2228416e-06
|
|
19000 1.8510631e-06 3.5157873e-08 1.2534306e-05 1.2128038e-05 1.0355377e-05
|
|
19100 1.844547e-06 3.5807341e-08 1.1011196e-05 1.2288462e-05 1.042938e-05
|
|
19200 1.8237482e-06 4.4374495e-08 1.0976301e-05 1.0525434e-05 1.3496339e-05
|
|
19300 1.809658e-06 4.663351e-08 1.0427019e-05 1.2761301e-05 1.2443509e-05
|
|
19400 1.8047595e-06 3.7730816e-08 1.2549441e-05 9.4564734e-06 1.159109e-05
|
|
19500 1.7912254e-06 3.9882052e-08 1.3940679e-05 1.220604e-05 1.1210472e-05
|
|
19600 1.789224e-06 3.7125586e-08 1.0231473e-05 1.2070753e-05 1.1047121e-05
|
|
19700 1.7845362e-06 3.456485e-08 1.12335e-05 1.042505e-05 9.0484867e-06
|
|
19800 1.7683141e-06 3.8353201e-08 1.29417e-05 1.0764969e-05 1.116828e-05
|
|
19900 1.7664071e-06 3.2153664e-08 9.4515931e-06 1.1051242e-05 1.0924767e-05
|
|
20000 1.7618892e-06 2.2689236e-08 8.4011955e-06 7.5721128e-06 8.9521609e-06
|
|
Loop time of 1.48476 on 1 procs for 20000 steps with 2394 atoms
|
|
|
|
Performance: 116382628.128 tau/day, 13470.212 timesteps/s, 32.248 Matom-step/s
|
|
99.8% CPU use with 1 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 0.63885 | 0.63885 | 0.63885 | 0.0 | 43.03
|
|
Bond | 0.00053413 | 0.00053413 | 0.00053413 | 0.0 | 0.04
|
|
Neigh | 0.15112 | 0.15112 | 0.15112 | 0.0 | 10.18
|
|
Comm | 0.0056225 | 0.0056225 | 0.0056225 | 0.0 | 0.38
|
|
Output | 0.0032158 | 0.0032158 | 0.0032158 | 0.0 | 0.22
|
|
Modify | 0.61597 | 0.61597 | 0.61597 | 0.0 | 41.49
|
|
Other | | 0.06945 | | | 4.68
|
|
|
|
Nlocal: 2394 ave 2394 max 2394 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Nghost: 0 ave 0 max 0 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Neighs: 11170 ave 11170 max 11170 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 11170
|
|
Ave neighs/atom = 4.6658312
|
|
Ave special neighs/atom = 0
|
|
Neighbor list builds = 199
|
|
Dangerous builds = 0
|
|
unfix wtemp
|
|
|
|
# Replicate cylinder and add bonds
|
|
|
|
replicate 4 1 1
|
|
Replication is creating a 4x1x1 = 4 times larger system...
|
|
orthogonal box = (0 -0.0019118212 -2.5018545) to (80 40.003414 2.5021045)
|
|
1 by 1 by 1 MPI processor grid
|
|
9576 atoms
|
|
Finding 1-2 1-3 1-4 neighbors ...
|
|
special bond factors lj: 0 1 1
|
|
special bond factors coul: 0 1 1
|
|
0 = max # of 1-2 neighbors
|
|
101 = max # of special neighbors
|
|
special bonds CPU = 0.000 seconds
|
|
replicate CPU = 0.001 seconds
|
|
|
|
region r1 block 0.0 20.0 EDGE EDGE EDGE EDGE side in units box
|
|
region r2 block 20.0 40.0 EDGE EDGE EDGE EDGE side in units box
|
|
region r3 block 40.0 60.0 EDGE EDGE EDGE EDGE side in units box
|
|
region r4 block 60.0 80.0 EDGE EDGE EDGE EDGE side in units box
|
|
|
|
group c1 region r1
|
|
2394 atoms in group c1
|
|
group c2 region r2
|
|
2394 atoms in group c2
|
|
group c3 region r3
|
|
2394 atoms in group c3
|
|
group c4 region r4
|
|
2394 atoms in group c4
|
|
|
|
set group c2 type 2
|
|
Setting atom values ...
|
|
2394 settings made for type
|
|
set group c3 type 3
|
|
Setting atom values ...
|
|
2394 settings made for type
|
|
set group c4 type 4
|
|
Setting atom values ...
|
|
2394 settings made for type
|
|
|
|
velocity all set 0.0 0.0 0.0
|
|
neighbor 1.0 bin
|
|
|
|
create_bonds many c1 c1 1 0.0 1.5
|
|
Generated 0 of 6 mixed pair_coeff terms from geometric mixing rule
|
|
Neighbor list info ...
|
|
update: every = 1 steps, delay = 0 steps, check = yes
|
|
max neighbors/atom: 2000, page size: 100000
|
|
master list distance cutoff = 2
|
|
ghost atom cutoff = 2.6
|
|
binsize = 1, bins = 80 41 6
|
|
2 neighbor lists, perpetual/occasional/extra = 1 1 0
|
|
(1) command create_bonds, occasional
|
|
attributes: full, newton on
|
|
pair build: full/bin
|
|
stencil: full/bin/3d
|
|
bin: standard
|
|
(2) pair bpm/spring, perpetual
|
|
attributes: half, newton on
|
|
pair build: half/bin/newton
|
|
stencil: half/bin/3d
|
|
bin: standard
|
|
Added 13760 bonds, new total = 13760
|
|
Finding 1-2 1-3 1-4 neighbors ...
|
|
special bond factors lj: 0 1 1
|
|
special bond factors coul: 0 1 1
|
|
17 = max # of 1-2 neighbors
|
|
101 = max # of special neighbors
|
|
special bonds CPU = 0.001 seconds
|
|
create_bonds many c2 c2 2 0.0 1.5
|
|
Generated 0 of 6 mixed pair_coeff terms from geometric mixing rule
|
|
WARNING: Bonds are defined but no bond style is set (../force.cpp:197)
|
|
WARNING: Likewise 1-2 special neighbor interactions != 1.0 (../force.cpp:199)
|
|
Neighbor list info ...
|
|
update: every = 1 steps, delay = 0 steps, check = yes
|
|
max neighbors/atom: 2000, page size: 100000
|
|
master list distance cutoff = 2
|
|
ghost atom cutoff = 2.6
|
|
binsize = 1, bins = 80 41 6
|
|
2 neighbor lists, perpetual/occasional/extra = 1 1 0
|
|
(1) command create_bonds, occasional
|
|
attributes: full, newton on
|
|
pair build: full/bin
|
|
stencil: full/bin/3d
|
|
bin: standard
|
|
(2) pair bpm/spring, perpetual
|
|
attributes: half, newton on
|
|
pair build: half/bin/newton
|
|
stencil: half/bin/3d
|
|
bin: standard
|
|
Added 13760 bonds, new total = 27520
|
|
Finding 1-2 1-3 1-4 neighbors ...
|
|
special bond factors lj: 0 1 1
|
|
special bond factors coul: 0 1 1
|
|
17 = max # of 1-2 neighbors
|
|
101 = max # of special neighbors
|
|
special bonds CPU = 0.002 seconds
|
|
create_bonds many c3 c3 3 0.0 1.5
|
|
Generated 0 of 6 mixed pair_coeff terms from geometric mixing rule
|
|
WARNING: Bonds are defined but no bond style is set (../force.cpp:197)
|
|
WARNING: Likewise 1-2 special neighbor interactions != 1.0 (../force.cpp:199)
|
|
Neighbor list info ...
|
|
update: every = 1 steps, delay = 0 steps, check = yes
|
|
max neighbors/atom: 2000, page size: 100000
|
|
master list distance cutoff = 2
|
|
ghost atom cutoff = 2.6
|
|
binsize = 1, bins = 80 41 6
|
|
2 neighbor lists, perpetual/occasional/extra = 1 1 0
|
|
(1) command create_bonds, occasional
|
|
attributes: full, newton on
|
|
pair build: full/bin
|
|
stencil: full/bin/3d
|
|
bin: standard
|
|
(2) pair bpm/spring, perpetual
|
|
attributes: half, newton on
|
|
pair build: half/bin/newton
|
|
stencil: half/bin/3d
|
|
bin: standard
|
|
Added 13760 bonds, new total = 41280
|
|
Finding 1-2 1-3 1-4 neighbors ...
|
|
special bond factors lj: 0 1 1
|
|
special bond factors coul: 0 1 1
|
|
17 = max # of 1-2 neighbors
|
|
101 = max # of special neighbors
|
|
special bonds CPU = 0.002 seconds
|
|
create_bonds many c4 c4 4 0.0 1.5
|
|
Generated 0 of 6 mixed pair_coeff terms from geometric mixing rule
|
|
WARNING: Bonds are defined but no bond style is set (../force.cpp:197)
|
|
WARNING: Likewise 1-2 special neighbor interactions != 1.0 (../force.cpp:199)
|
|
Neighbor list info ...
|
|
update: every = 1 steps, delay = 0 steps, check = yes
|
|
max neighbors/atom: 2000, page size: 100000
|
|
master list distance cutoff = 2
|
|
ghost atom cutoff = 2.6
|
|
binsize = 1, bins = 80 41 6
|
|
2 neighbor lists, perpetual/occasional/extra = 1 1 0
|
|
(1) command create_bonds, occasional
|
|
attributes: full, newton on
|
|
pair build: full/bin
|
|
stencil: full/bin/3d
|
|
bin: standard
|
|
(2) pair bpm/spring, perpetual
|
|
attributes: half, newton on
|
|
pair build: half/bin/newton
|
|
stencil: half/bin/3d
|
|
bin: standard
|
|
Added 13760 bonds, new total = 55040
|
|
Finding 1-2 1-3 1-4 neighbors ...
|
|
special bond factors lj: 0 1 1
|
|
special bond factors coul: 0 1 1
|
|
17 = max # of 1-2 neighbors
|
|
101 = max # of special neighbors
|
|
special bonds CPU = 0.002 seconds
|
|
|
|
neighbor 0.3 bin
|
|
special_bonds lj 0.0 1.0 1.0 coul 1.0 1.0 1.0
|
|
|
|
bond_style bpm/spring/plastic break no smooth no
|
|
bond_coeff 1 1.0 0 1.0 1.0
|
|
bond_coeff 2 1.0 0 1.0 0.022
|
|
bond_coeff 3 1.0 0 1.0 0.0185
|
|
bond_coeff 4 1.0 0 1.0 0.017
|
|
|
|
# apply load
|
|
|
|
region anchor block EDGE EDGE EDGE 2.0 EDGE EDGE units box
|
|
region load block EDGE EDGE 38.0 EDGE EDGE EDGE units box
|
|
group anchor region anchor
|
|
512 atoms in group anchor
|
|
group load region load
|
|
592 atoms in group load
|
|
|
|
variable fload equal ramp(0.0,-0.0005)
|
|
fix 2 anchor setforce 0.0 0.0 0.0
|
|
fix 3 load addforce 0.0 0.0 v_fload
|
|
fix 4 all viscous 0.0016
|
|
|
|
compute zmin1 c1 reduce min z
|
|
compute zmin2 c2 reduce min z
|
|
compute zmin3 c3 reduce min z
|
|
compute zmin4 c4 reduce min z
|
|
|
|
thermo_style custom step ke c_zmin1 c_zmin2 c_zmin3 c_zmin4
|
|
dump 1 all custom 1000 atomDump id type x y z
|
|
|
|
run 30000
|
|
|
|
CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
|
|
|
|
Your simulation uses code contributions which should be cited:
|
|
|
|
- BPM bond style: doi:10.1039/D3SM01373A
|
|
|
|
@Article{Clemmer2024,
|
|
author = {Clemmer, Joel T. and Monti, Joseph M. and Lechman, Jeremy B.},
|
|
title = {A soft departure from jamming: the compaction of deformable
|
|
granular matter under high pressures},
|
|
journal = {Soft Matter},
|
|
year = 2024,
|
|
volume = 20,
|
|
number = 8,
|
|
pages = {1702--1718}
|
|
}
|
|
|
|
- BPM/spring/plastic bond style: doi:10.1016/j.powtec.2024.120563
|
|
|
|
@Article{Clemmer2025,
|
|
author = {Clemmer, Joel T. and Lechman, Jeremy B.},
|
|
title = {Onset and impact of plastic deformation in granular compaction},
|
|
journal = {Powder Technology},
|
|
year = 2025,
|
|
volume = 452,
|
|
number = 28,
|
|
pages = {120563}
|
|
}
|
|
|
|
CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE
|
|
|
|
Generated 0 of 6 mixed pair_coeff terms from geometric mixing rule
|
|
Neighbor list info ...
|
|
update: every = 1 steps, delay = 0 steps, check = yes
|
|
max neighbors/atom: 2000, page size: 100000
|
|
master list distance cutoff = 1.3
|
|
ghost atom cutoff = 2.6
|
|
binsize = 0.65, bins = 124 62 8
|
|
1 neighbor lists, perpetual/occasional/extra = 1 0 0
|
|
(1) pair bpm/spring, perpetual
|
|
attributes: half, newton on
|
|
pair build: half/bin/newton
|
|
stencil: half/bin/3d
|
|
bin: standard
|
|
Per MPI rank memory allocation (min/avg/max) = 20.02 | 20.02 | 20.02 Mbytes
|
|
Step KinEng c_zmin1 c_zmin2 c_zmin3 c_zmin4
|
|
20000 0 -2.5009426 -2.5009426 -2.5009426 -2.5009426
|
|
20100 1.2351668e-12 -2.5009426 -2.5009426 -2.5009426 -2.5009426
|
|
20200 1.6504342e-11 -2.50094 -2.50094 -2.50094 -2.50094
|
|
20300 7.2443173e-11 -2.5009238 -2.5009238 -2.5009238 -2.5009238
|
|
20400 2.0430679e-10 -2.5009047 -2.5009047 -2.5009047 -2.5009047
|
|
20500 4.5403534e-10 -2.5014106 -2.5014106 -2.5014106 -2.5014106
|
|
20600 8.6883638e-10 -2.5021368 -2.5021368 -2.5021368 -2.5021368
|
|
20700 1.5005944e-09 -2.5032627 -2.5032627 -2.5032627 -2.5032627
|
|
20800 2.4020834e-09 -2.5048635 -2.5048635 -2.5048635 -2.5048635
|
|
20900 3.620123e-09 -2.5068127 -2.5068127 -2.5068127 -2.5068127
|
|
21000 5.1981536e-09 -2.5091315 -2.5091315 -2.5091315 -2.5091315
|
|
21100 7.1838766e-09 -2.5118405 -2.5118405 -2.5118405 -2.5118405
|
|
21200 9.6334884e-09 -2.5149609 -2.5149609 -2.5149609 -2.5149609
|
|
21300 1.2612436e-08 -2.5185116 -2.5185116 -2.5185116 -2.5185116
|
|
21400 1.6194239e-08 -2.5224995 -2.5224995 -2.5224995 -2.5224995
|
|
21500 2.0460353e-08 -2.5269165 -2.5269165 -2.5269165 -2.5269165
|
|
21600 2.5502476e-08 -2.5317485 -2.5317485 -2.5317485 -2.5317485
|
|
21700 3.1420875e-08 -2.5369872 -2.5369872 -2.5369872 -2.5369872
|
|
21800 3.831695e-08 -2.5426357 -2.5426357 -2.5426357 -2.5426357
|
|
21900 4.6285399e-08 -2.5487084 -2.5487084 -2.5487084 -2.5487084
|
|
22000 5.540962e-08 -2.5552276 -2.5552276 -2.5552276 -2.5552276
|
|
22100 6.5761039e-08 -2.5622201 -2.5622201 -2.5622201 -2.5622201
|
|
22200 7.7400349e-08 -2.5697151 -2.5697151 -2.5697151 -2.5697151
|
|
22300 9.0377386e-08 -2.5777426 -2.5777426 -2.5777426 -2.5777426
|
|
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|
|
41900 1.2398179e-06 -7.2888322 -7.3097906 -7.4393692 -7.5647667
|
|
42000 1.2635904e-06 -7.3136938 -7.3366033 -7.4710521 -7.5994229
|
|
42100 1.2874997e-06 -7.3386526 -7.3636497 -7.5030557 -7.6344459
|
|
42200 1.3115362e-06 -7.3637008 -7.3909301 -7.5353759 -7.6698255
|
|
42300 1.3356922e-06 -7.3888302 -7.4184429 -7.5680103 -7.7055643
|
|
42400 1.3599513e-06 -7.414033 -7.4461781 -7.6009523 -7.7416659
|
|
42500 1.3843042e-06 -7.4393014 -7.4741209 -7.6341917 -7.7781333
|
|
42600 1.4087525e-06 -7.464628 -7.5022626 -7.6677208 -7.8149709
|
|
42700 1.433296e-06 -7.4900056 -7.5306011 -7.7015333 -7.8521774
|
|
42800 1.4579308e-06 -7.5154277 -7.5591331 -7.7356249 -7.889754
|
|
42900 1.4826449e-06 -7.5408882 -7.5878529 -7.7699976 -7.9277095
|
|
43000 1.5074396e-06 -7.5663815 -7.6167496 -7.8046519 -7.9660526
|
|
43100 1.5323522e-06 -7.5919026 -7.6458053 -7.8395834 -8.0047873
|
|
43200 1.5574191e-06 -7.6174466 -7.6750038 -7.8747872 -8.043909
|
|
43300 1.5826553e-06 -7.6430093 -7.704343 -7.9102672 -8.0834101
|
|
43400 1.608076e-06 -7.6685867 -7.7338334 -7.9460305 -8.1232884
|
|
43500 1.6336848e-06 -7.6941747 -7.7634818 -7.9820849 -8.163539
|
|
43600 1.6594854e-06 -7.7197695 -7.793284 -8.0184353 -8.2041504
|
|
43700 1.6854811e-06 -7.745367 -7.8232363 -8.0550736 -8.2451171
|
|
43800 1.7116722e-06 -7.7709631 -7.8533424 -8.0919889 -8.2864464
|
|
43900 1.7380708e-06 -7.7965535 -7.8836122 -8.1291827 -8.3281466
|
|
44000 1.7646824e-06 -7.8221334 -7.9140624 -8.1666648 -8.3702187
|
|
44100 1.7915041e-06 -7.8476979 -7.9447062 -8.2044417 -8.4126654
|
|
44200 1.8185378e-06 -7.8732418 -7.9755475 -8.2425213 -8.4554912
|
|
44300 1.8457823e-06 -7.8987595 -8.0065827 -8.2809053 -8.4986984
|
|
44400 1.8732376e-06 -7.9242452 -8.0378114 -8.3195929 -8.5422886
|
|
44500 1.9009024e-06 -7.9496926 -8.0692574 -8.3585942 -8.5862653
|
|
44600 1.9287771e-06 -7.9750956 -8.1009455 -8.3979234 -8.6306258
|
|
44700 1.9568796e-06 -8.0004479 -8.1328733 -8.4375902 -8.6753713
|
|
44800 1.9852267e-06 -8.0257432 -8.1650252 -8.4775966 -8.7205038
|
|
44900 2.0138173e-06 -8.0509754 -8.1973908 -8.5179355 -8.7660264
|
|
45000 2.0426543e-06 -8.0761387 -8.2299659 -8.5585966 -8.8119535
|
|
45100 2.0717448e-06 -8.1012276 -8.2627482 -8.5995784 -8.8582997
|
|
45200 2.1010968e-06 -8.1262371 -8.295733 -8.6408768 -8.9050662
|
|
45300 2.1307207e-06 -8.1511626 -8.3289113 -8.6824783 -8.952247
|
|
45400 2.1606216e-06 -8.176 -8.362268 -8.7243759 -8.9998355
|
|
45500 2.1908108e-06 -8.2007459 -8.3957877 -8.7665774 -9.0478269
|
|
45600 2.2213082e-06 -8.2253973 -8.4294622 -8.8090894 -9.0962176
|
|
45700 2.2521283e-06 -8.2499518 -8.4632881 -8.8519107 -9.145009
|
|
45800 2.2832822e-06 -8.2744073 -8.4972575 -8.8950383 -9.1941982
|
|
45900 2.3147632e-06 -8.2987623 -8.531359 -8.9384703 -9.2437813
|
|
46000 2.3465754e-06 -8.3230156 -8.5655896 -8.9822085 -9.2937535
|
|
46100 2.3787288e-06 -8.3471663 -8.5999519 -9.0262548 -9.3441103
|
|
46200 2.4112412e-06 -8.3712136 -8.6344487 -9.0706087 -9.3948508
|
|
46300 2.4441202e-06 -8.3951568 -8.6690821 -9.1152687 -9.4459741
|
|
46400 2.4773664e-06 -8.4189955 -8.7038542 -9.160238 -9.4974773
|
|
46500 2.5109832e-06 -8.4427289 -8.7387691 -9.2055252 -9.5493598
|
|
46600 2.5449914e-06 -8.4663562 -8.7738282 -9.2511356 -9.6016247
|
|
46700 2.579414e-06 -8.4898767 -8.80903 -9.2970756 -9.6542811
|
|
46800 2.6142781e-06 -8.5132893 -8.8443792 -9.3433586 -9.7073395
|
|
46900 2.6495975e-06 -8.5365929 -8.8798868 -9.3899934 -9.7608033
|
|
47000 2.6853869e-06 -8.5597861 -8.915567 -9.4369751 -9.814665
|
|
47100 2.7216669e-06 -8.5828678 -8.9514302 -9.4842958 -9.8689112
|
|
47200 2.7584517e-06 -8.6058365 -8.9874749 -9.5319521 -9.9235345
|
|
47300 2.7957656e-06 -8.6286909 -9.0236916 -9.579942 -9.978542
|
|
47400 2.8336304e-06 -8.6514298 -9.0600726 -9.6282649 -10.033947
|
|
47500 2.8720595e-06 -8.6740522 -9.0966179 -9.676922 -10.089757
|
|
47600 2.9110599e-06 -8.6965572 -9.1333398 -9.7259158 -10.145978
|
|
47700 2.9506321e-06 -8.7189442 -9.17025 -9.7752484 -10.202619
|
|
47800 2.990773e-06 -8.7412131 -9.2073578 -9.824923 -10.259692
|
|
47900 3.0314775e-06 -8.763364 -9.2446643 -9.8749382 -10.317211
|
|
48000 3.0727446e-06 -8.7853976 -9.2821621 -9.9252891 -10.375187
|
|
48100 3.1145746e-06 -8.807315 -9.3198445 -9.9759731 -10.433624
|
|
48200 3.1569733e-06 -8.8291174 -9.3577154 -10.026988 -10.492518
|
|
48300 3.1999413e-06 -8.8508069 -9.3957874 -10.078334 -10.551857
|
|
48400 3.243476e-06 -8.8723857 -9.4340674 -10.130014 -10.611634
|
|
48500 3.2875839e-06 -8.8938562 -9.4725493 -10.182031 -10.671843
|
|
48600 3.3322818e-06 -8.9152212 -9.5112224 -10.23439 -10.732479
|
|
48700 3.377592e-06 -8.9364838 -9.5500805 -10.287095 -10.793538
|
|
48800 3.4235363e-06 -8.957647 -9.5891272 -10.340142 -10.855019
|
|
48900 3.4701214e-06 -8.9787139 -9.6283737 -10.393527 -10.91692
|
|
49000 3.5173532e-06 -8.9996878 -9.6678294 -10.447244 -10.979234
|
|
49100 3.5652329e-06 -9.0205717 -9.7074906 -10.501287 -11.041952
|
|
49200 3.6137624e-06 -9.0413686 -9.7473481 -10.55566 -11.105071
|
|
49300 3.6629506e-06 -9.0620814 -9.7873994 -10.610377 -11.168598
|
|
49400 3.712811e-06 -9.0827128 -9.8276463 -10.66545 -11.232539
|
|
49500 3.7633584e-06 -9.1032654 -9.8680948 -10.720888 -11.296892
|
|
49600 3.8146001e-06 -9.1237415 -9.9087544 -10.776703 -11.361653
|
|
49700 3.8665406e-06 -9.1441435 -9.9496285 -10.832901 -11.426822
|
|
49800 3.9191804e-06 -9.1644734 -9.9907125 -10.889488 -11.492403
|
|
49900 3.9725064e-06 -9.1847335 -10.032002 -10.946469 -11.558392
|
|
50000 4.0265078e-06 -9.2049257 -10.073506 -11.003853 -11.624781
|
|
Loop time of 22.9271 on 1 procs for 30000 steps with 9576 atoms
|
|
|
|
Performance: 11305406.065 tau/day, 1308.496 timesteps/s, 12.530 Matom-step/s
|
|
99.7% CPU use with 1 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 2.5727 | 2.5727 | 2.5727 | 0.0 | 11.22
|
|
Bond | 16.951 | 16.951 | 16.951 | 0.0 | 73.94
|
|
Neigh | 0.25843 | 0.25843 | 0.25843 | 0.0 | 1.13
|
|
Comm | 0.037787 | 0.037787 | 0.037787 | 0.0 | 0.16
|
|
Output | 0.17723 | 0.17723 | 0.17723 | 0.0 | 0.77
|
|
Modify | 2.4504 | 2.4504 | 2.4504 | 0.0 | 10.69
|
|
Other | | 0.4793 | | | 2.09
|
|
|
|
Nlocal: 9576 ave 9576 max 9576 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Nghost: 0 ave 0 max 0 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Neighs: 44684 ave 44684 max 44684 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 44684
|
|
Ave neighs/atom = 4.666249
|
|
Ave special neighs/atom = 11.495405
|
|
Neighbor list builds = 62
|
|
Dangerous builds = 0
|
|
|
|
# hold load
|
|
|
|
unfix 3
|
|
fix 3 load addforce 0.0 0.0 -0.0005
|
|
run 50000
|
|
Generated 0 of 6 mixed pair_coeff terms from geometric mixing rule
|
|
Per MPI rank memory allocation (min/avg/max) = 22.14 | 22.14 | 22.14 Mbytes
|
|
Step KinEng c_zmin1 c_zmin2 c_zmin3 c_zmin4
|
|
50000 4.0265078e-06 -9.2049257 -10.073506 -11.003853 -11.624781
|
|
50100 4.078797e-06 -9.2250318 -10.115223 -11.061622 -11.691546
|
|
50200 4.1270084e-06 -9.2449811 -10.157097 -11.119697 -11.758608
|
|
50300 4.1711893e-06 -9.2647179 -10.199076 -11.178013 -11.825901
|
|
50400 4.2114017e-06 -9.2842039 -10.241117 -11.236524 -11.89339
|
|
50500 4.2477072e-06 -9.3034085 -10.283187 -11.295191 -11.961052
|
|
50600 4.2801682e-06 -9.3223057 -10.325266 -11.353975 -12.02887
|
|
50700 4.3088438e-06 -9.3408726 -10.367334 -11.412844 -12.096827
|
|
50800 4.3338082e-06 -9.3590897 -10.409371 -11.471771 -12.164895
|
|
50900 4.3551278e-06 -9.3769407 -10.451355 -11.530744 -12.233048
|
|
51000 4.3728717e-06 -9.3944117 -10.493273 -11.589752 -12.301263
|
|
51100 4.387118e-06 -9.4114896 -10.535111 -11.648783 -12.369533
|
|
51200 4.3979324e-06 -9.4281581 -10.576852 -11.707826 -12.437854
|
|
51300 4.405391e-06 -9.4443998 -10.618478 -11.766867 -12.506225
|
|
51400 4.4095986e-06 -9.4602071 -10.659965 -11.825894 -12.574638
|
|
51500 4.4106676e-06 -9.4755859 -10.701294 -11.884892 -12.64309
|
|
51600 4.4087216e-06 -9.4905472 -10.742454 -11.943846 -12.711578
|
|
51700 4.4038781e-06 -9.505097 -10.783448 -12.00275 -12.7801
|
|
51800 4.3962565e-06 -9.519232 -10.824279 -12.061602 -12.848658
|
|
51900 4.3859809e-06 -9.5329408 -10.86494 -12.120398 -12.917251
|
|
52000 4.3731813e-06 -9.5462073 -10.905422 -12.179122 -12.985875
|
|
52100 4.3579929e-06 -9.5590133 -10.945716 -12.237752 -13.05452
|
|
52200 4.3405399e-06 -9.5713407 -10.985817 -12.296262 -13.123175
|
|
52300 4.3209453e-06 -9.5831701 -11.025719 -12.354633 -13.191817
|
|
52400 4.2993304e-06 -9.5944811 -11.065401 -12.412855 -13.260421
|
|
52500 4.2758022e-06 -9.6052526 -11.104835 -12.470917 -13.32896
|
|
52600 4.2504626e-06 -9.6154653 -11.144002 -12.528802 -13.397392
|
|
52700 4.2234264e-06 -9.6251006 -11.182886 -12.586499 -13.465677
|
|
52800 4.1947978e-06 -9.6341381 -11.221469 -12.643995 -13.533785
|
|
52900 4.1646861e-06 -9.6425532 -11.259729 -12.701274 -13.601698
|
|
53000 4.1331936e-06 -9.650319 -11.297644 -12.758321 -13.669405
|
|
53100 4.1004239e-06 -9.6574113 -11.335194 -12.815117 -13.7369
|
|
53200 4.0664734e-06 -9.6638134 -11.37236 -12.87165 -13.804166
|
|
53300 4.0314247e-06 -9.6695187 -11.409125 -12.927908 -13.871183
|
|
53400 3.9953609e-06 -9.6745308 -11.44547 -12.983882 -13.937932
|
|
53500 3.958361e-06 -9.678861 -11.481378 -13.039563 -14.004398
|
|
53600 3.9204924e-06 -9.6825257 -11.516831 -13.094946 -14.070565
|
|
53700 3.8818222e-06 -9.6855446 -11.55182 -13.150016 -14.136414
|
|
53800 3.8424179e-06 -9.6879389 -11.586341 -13.20475 -14.201925
|
|
53900 3.802351e-06 -9.6897295 -11.620382 -13.259122 -14.267094
|
|
54000 3.7616954e-06 -9.6909351 -11.653935 -13.313107 -14.331924
|
|
54100 3.7205096e-06 -9.6915723 -11.686988 -13.366686 -14.396421
|
|
54200 3.6788456e-06 -9.6916562 -11.719539 -13.419853 -14.460587
|
|
54300 3.6367529e-06 -9.6912028 -11.751587 -13.472603 -14.524419
|
|
54400 3.5942808e-06 -9.6902301 -11.78313 -13.524935 -14.587911
|
|
54500 3.5514841e-06 -9.6887575 -11.814165 -13.576852 -14.651062
|
|
54600 3.5084298e-06 -9.6868041 -11.844692 -13.628353 -14.713879
|
|
54700 3.4651784e-06 -9.6843863 -11.874712 -13.679436 -14.776371
|
|
54800 3.4217746e-06 -9.6815167 -11.904226 -13.730098 -14.83854
|
|
54900 3.3782546e-06 -9.678204 -11.933234 -13.78033 -14.900389
|
|
55000 3.3346481e-06 -9.6744535 -11.961736 -13.830127 -14.961924
|
|
55100 3.2909881e-06 -9.6702679 -11.989737 -13.879469 -15.023152
|
|
55200 3.2473053e-06 -9.6656485 -12.017245 -13.928333 -15.084074
|
|
55300 3.2036292e-06 -9.6605962 -12.044264 -13.976706 -15.144683
|
|
55400 3.1599879e-06 -9.6551133 -12.070797 -14.024589 -15.20497
|
|
55500 3.1164123e-06 -9.6492041 -12.096845 -14.071986 -15.264927
|
|
55600 3.0729335e-06 -9.6428755 -12.122406 -14.118904 -15.324555
|
|
55700 3.0295858e-06 -9.6361363 -12.147478 -14.165353 -15.383856
|
|
55800 2.9863981e-06 -9.6289973 -12.172059 -14.211339 -15.442837
|
|
55900 2.9433934e-06 -9.6214706 -12.196146 -14.256854 -15.501503
|
|
56000 2.9006069e-06 -9.6135705 -12.219735 -14.301885 -15.559855
|
|
56100 2.8580637e-06 -9.6053146 -12.242824 -14.346426 -15.617887
|
|
56200 2.8157841e-06 -9.5967246 -12.265408 -14.390484 -15.675588
|
|
56300 2.7737823e-06 -9.5878265 -12.287481 -14.434061 -15.732951
|
|
56400 2.7320692e-06 -9.57865 -12.309038 -14.47716 -15.789968
|
|
56500 2.6906601e-06 -9.5692276 -12.330071 -14.519787 -15.84663
|
|
56600 2.64957e-06 -9.5595926 -12.350575 -14.561944 -15.902927
|
|
56700 2.6088072e-06 -9.5497782 -12.370547 -14.60363 -15.958858
|
|
56800 2.5683744e-06 -9.5398154 -12.389981 -14.644843 -16.014425
|
|
56900 2.5282818e-06 -9.5297323 -12.408875 -14.685587 -16.069637
|
|
57000 2.4885392e-06 -9.5195536 -12.427228 -14.725871 -16.124497
|
|
57100 2.4491523e-06 -9.5093009 -12.445039 -14.765701 -16.179012
|
|
57200 2.4101321e-06 -9.4989936 -12.462311 -14.805087 -16.23318
|
|
57300 2.3714907e-06 -9.4886498 -12.479044 -14.84404 -16.286992
|
|
57400 2.3332399e-06 -9.4782868 -12.49524 -14.882568 -16.340447
|
|
57500 2.2953888e-06 -9.4679208 -12.510901 -14.920681 -16.393547
|
|
57600 2.2579441e-06 -9.4575669 -12.526028 -14.958383 -16.446294
|
|
57700 2.2209217e-06 -9.4472381 -12.540624 -14.995679 -16.498686
|
|
57800 2.1843408e-06 -9.4369452 -12.55469 -15.032568 -16.550724
|
|
57900 2.148211e-06 -9.4266967 -12.568233 -15.069047 -16.602411
|
|
58000 2.1125489e-06 -9.4164992 -12.58126 -15.105109 -16.653755
|
|
58100 2.0773723e-06 -9.4063586 -12.59378 -15.140752 -16.704763
|
|
58200 2.0426985e-06 -9.3962804 -12.605798 -15.175974 -16.755442
|
|
58300 2.0085419e-06 -9.3862716 -12.617325 -15.210773 -16.805792
|
|
58400 1.9749169e-06 -9.376341 -12.628369 -15.24515 -16.855808
|
|
58500 1.9418404e-06 -9.3664996 -12.63894 -15.279106 -16.905489
|
|
58600 1.9093242e-06 -9.3567612 -12.649046 -15.312642 -16.954835
|
|
58700 1.8773791e-06 -9.3471412 -12.658696 -15.34576 -17.003847
|
|
58800 1.8460246e-06 -9.3376564 -12.667897 -15.37846 -17.052526
|
|
58900 1.8152788e-06 -9.328325 -12.676657 -15.410738 -17.10088
|
|
59000 1.7851552e-06 -9.3191656 -12.684982 -15.442593 -17.148921
|
|
59100 1.755666e-06 -9.3101975 -12.692877 -15.474026 -17.196659
|
|
59200 1.7268136e-06 -9.3014405 -12.700347 -15.505042 -17.2441
|
|
59300 1.6985996e-06 -9.2929146 -12.707394 -15.535645 -17.291248
|
|
59400 1.6710291e-06 -9.2846391 -12.714019 -15.565835 -17.33811
|
|
59500 1.6441075e-06 -9.2766326 -12.720223 -15.595615 -17.384691
|
|
59600 1.6178416e-06 -9.2689115 -12.726005 -15.624992 -17.43099
|
|
59700 1.5922386e-06 -9.2614901 -12.731366 -15.653971 -17.477
|
|
59800 1.5673001e-06 -9.2543795 -12.736306 -15.682555 -17.522719
|
|
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|
|
99900 4.25171e-10 -9.364007 -12.537038 -17.318858 -22.863815
|
|
100000 3.9853122e-10 -9.3641487 -12.537084 -17.318766 -22.862977
|
|
Loop time of 41.8797 on 1 procs for 50000 steps with 9576 atoms
|
|
|
|
Performance: 10315267.104 tau/day, 1193.897 timesteps/s, 11.433 Matom-step/s
|
|
99.7% CPU use with 1 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 5.1258 | 5.1258 | 5.1258 | 0.0 | 12.24
|
|
Bond | 31.193 | 31.193 | 31.193 | 0.0 | 74.48
|
|
Neigh | 0.37652 | 0.37652 | 0.37652 | 0.0 | 0.90
|
|
Comm | 0.044633 | 0.044633 | 0.044633 | 0.0 | 0.11
|
|
Output | 0.29854 | 0.29854 | 0.29854 | 0.0 | 0.71
|
|
Modify | 4.0413 | 4.0413 | 4.0413 | 0.0 | 9.65
|
|
Other | | 0.8001 | | | 1.91
|
|
|
|
Nlocal: 9576 ave 9576 max 9576 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Nghost: 0 ave 0 max 0 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Neighs: 44699 ave 44699 max 44699 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 44699
|
|
Ave neighs/atom = 4.6678154
|
|
Ave special neighs/atom = 11.495405
|
|
Neighbor list builds = 87
|
|
Dangerous builds = 0
|
|
|
|
# remove load
|
|
|
|
unfix 3
|
|
run 60000
|
|
Generated 0 of 6 mixed pair_coeff terms from geometric mixing rule
|
|
Per MPI rank memory allocation (min/avg/max) = 22.79 | 22.79 | 22.79 Mbytes
|
|
Step KinEng c_zmin1 c_zmin2 c_zmin3 c_zmin4
|
|
100000 3.9853122e-10 -9.3641487 -12.537084 -17.318766 -22.862977
|
|
100100 3.5487181e-07 -9.347706 -12.521662 -17.304923 -22.850482
|
|
100200 1.1048285e-06 -9.3098594 -12.486642 -17.274616 -22.825787
|
|
100300 2.09412e-06 -9.2577873 -12.438147 -17.232311 -22.791429
|
|
100400 3.2446006e-06 -9.1945595 -12.379111 -17.18065 -22.749587
|
|
100500 4.5095394e-06 -9.1218239 -12.311089 -17.120959 -22.701319
|
|
100600 5.8962791e-06 -9.0405439 -12.235072 -17.054037 -22.647626
|
|
100700 7.4071499e-06 -8.9515584 -12.152057 -16.980878 -22.590092
|
|
100800 8.9252679e-06 -8.8557405 -12.062841 -16.902516 -22.529648
|
|
100900 1.0436071e-05 -8.7538679 -11.968042 -16.819503 -22.466505
|
|
101000 1.2004455e-05 -8.6471559 -11.868309 -16.732522 -22.400901
|
|
101100 1.3664609e-05 -8.5344938 -11.763131 -16.64137 -22.331963
|
|
101200 1.5435862e-05 -8.4145338 -11.651482 -16.544942 -22.25844
|
|
101300 1.7329818e-05 -8.2886227 -11.534016 -16.443025 -22.180074
|
|
101400 1.9341036e-05 -8.1613043 -11.413486 -16.337007 -22.097577
|
|
101500 2.149567e-05 -8.0362918 -11.292652 -16.22894 -22.012022
|
|
101600 2.379198e-05 -7.9137246 -11.172437 -16.120324 -21.924324
|
|
101700 2.6143742e-05 -7.7911499 -11.05203 -16.011569 -21.834655
|
|
101800 2.8435464e-05 -7.6655446 -10.929826 -15.901965 -21.7426
|
|
101900 3.0585533e-05 -7.5345357 -10.804146 -15.790243 -21.647652
|
|
102000 3.2570088e-05 -7.3967405 -10.673798 -15.67532 -21.549743
|
|
102100 3.4408767e-05 -7.2515693 -10.538154 -15.556704 -21.449276
|
|
102200 3.6110535e-05 -7.0986912 -10.396743 -15.434194 -21.346487
|
|
102300 3.7661447e-05 -6.9376524 -10.248984 -15.30738 -21.241019
|
|
102400 3.9067031e-05 -6.7685859 -10.094421 -15.17571 -21.132285
|
|
102500 4.0360203e-05 -6.5919739 -9.9330939 -15.038938 -21.019913
|
|
102600 4.1580899e-05 -6.4083696 -9.7653567 -14.897181 -20.903748
|
|
102700 4.2752243e-05 -6.2179388 -9.5912293 -14.750463 -20.783396
|
|
102800 4.3867778e-05 -6.0196523 -9.4100975 -14.598311 -20.658063
|
|
102900 4.4905718e-05 -5.8122198 -9.2211414 -14.439854 -20.526991
|
|
103000 4.5842765e-05 -5.5954068 -9.0240591 -14.27436 -20.38981
|
|
103100 4.6643623e-05 -5.3706435 -8.8195843 -14.10181 -20.24683
|
|
103200 4.7257711e-05 -5.1407004 -8.6095428 -13.923194 -20.09912
|
|
103300 4.7640875e-05 -4.9088296 -8.3964367 -13.740368 -19.948346
|
|
103400 4.7779448e-05 -4.679239 -8.1828233 -13.555586 -19.796377
|
|
103500 4.7696642e-05 -4.4530927 -7.9708711 -13.370981 -19.64489
|
|
103600 4.7433332e-05 -4.2318059 -7.7622458 -13.188308 -19.495202
|
|
103700 4.7021885e-05 -4.0163345 -7.5581405 -13.008881 -19.348248
|
|
103800 4.6483006e-05 -3.8069765 -7.3592268 -12.833556 -19.204552
|
|
103900 4.5839221e-05 -3.6033241 -7.1655849 -12.662661 -19.064169
|
|
104000 4.5118601e-05 -3.4045548 -6.9768414 -12.496036 -18.92674
|
|
104100 4.4342741e-05 -3.210046 -6.7925467 -12.33328 -18.791711
|
|
104200 4.3512814e-05 -3.0198554 -6.6125628 -12.174118 -18.658706
|
|
104300 4.260878e-05 -2.8346702 -6.437192 -12.018655 -18.527758
|
|
104400 4.1604286e-05 -2.6552638 -6.266961 -11.867372 -18.399228
|
|
104500 4.0482841e-05 -2.5176099 -6.1021991 -11.720813 -18.273561
|
|
104600 3.9237628e-05 -2.5004006 -5.9426879 -11.57919 -18.150945
|
|
104700 3.786889e-05 -2.5004006 -5.7875945 -11.442207 -18.031247
|
|
104800 3.6385884e-05 -2.5004006 -5.635687 -11.309141 -17.914142
|
|
104900 3.4813209e-05 -2.5004006 -5.4856266 -11.179061 -17.79913
|
|
105000 3.318736e-05 -2.5004006 -5.3362456 -11.05096 -17.685664
|
|
105100 3.1543908e-05 -2.5004006 -5.1868099 -10.92394 -17.573176
|
|
105200 2.9906762e-05 -2.5004006 -5.0370482 -10.797408 -17.461118
|
|
105300 2.8287703e-05 -2.5004006 -4.8870726 -10.671038 -17.349249
|
|
105400 2.6693031e-05 -2.5004006 -4.7374545 -10.54486 -17.237654
|
|
105500 2.5128464e-05 -2.5004006 -4.5891081 -10.419178 -17.126596
|
|
105600 2.3596602e-05 -2.5004006 -4.4431796 -10.294478 -17.016406
|
|
105700 2.209201e-05 -2.5004006 -4.3006536 -10.171287 -16.907366
|
|
105800 2.0602256e-05 -2.5004006 -4.1620482 -10.050014 -16.799677
|
|
105900 1.9116576e-05 -2.5004006 -4.0281597 -9.9309323 -16.693565
|
|
106000 1.7633217e-05 -2.5004006 -3.9019825 -9.8142744 -16.589335
|
|
106100 1.6160554e-05 -2.5004006 -3.7805244 -9.7004093 -16.487451
|
|
106200 1.4713035e-05 -2.5004006 -3.6644212 -9.5899493 -16.38855
|
|
106300 1.330694e-05 -2.5004006 -3.5544965 -9.4837064 -16.293344
|
|
106400 1.1959006e-05 -2.5004006 -3.4516178 -9.3826045 -16.202569
|
|
106500 1.0685396e-05 -2.5004006 -3.3565542 -9.287537 -16.116953
|
|
106600 9.4984127e-06 -2.5004006 -3.2698292 -9.1992598 -16.037126
|
|
106700 8.4032693e-06 -2.5004006 -3.2015219 -9.1182656 -15.963481
|
|
106800 7.3978375e-06 -2.5004006 -3.1498898 -9.0447009 -15.896084
|
|
106900 6.4755429e-06 -2.5004006 -3.1050942 -8.9784041 -15.834666
|
|
107000 5.6287954e-06 -2.5004006 -3.0627741 -8.9189792 -15.778742
|
|
107100 4.8501672e-06 -2.5004006 -3.0231021 -8.865887 -15.727761
|
|
107200 4.1326005e-06 -2.5004006 -2.9864678 -8.8185681 -15.681216
|
|
107300 3.4699394e-06 -2.5004006 -2.9531122 -8.7765661 -15.638701
|
|
107400 2.8587351e-06 -2.5004006 -2.923128 -8.7395448 -15.599918
|
|
107500 2.3000777e-06 -2.5004006 -2.8964681 -8.7072168 -15.564637
|
|
107600 1.7994277e-06 -2.5004006 -2.8730717 -8.679263 -15.532644
|
|
107700 1.3642715e-06 -2.5004006 -2.8532885 -8.6553139 -15.503733
|
|
107800 1.0014359e-06 -2.5004006 -2.8374966 -8.6349286 -15.477683
|
|
107900 7.1531362e-07 -2.5004006 -2.8258105 -8.6175607 -15.454188
|
|
108000 5.0716602e-07 -2.5004006 -2.8182266 -8.6025998 -15.432865
|
|
108100 3.7503723e-07 -2.5004006 -2.8159949 -8.5894723 -15.413338
|
|
108200 3.1373374e-07 -2.5004006 -2.8171018 -8.5777497 -15.395322
|
|
108300 3.1539689e-07 -2.5004006 -2.8212795 -8.5672104 -15.378673
|
|
108400 3.7090063e-07 -2.5004006 -2.8282139 -8.5578638 -15.363387
|
|
108500 4.7143014e-07 -2.5004006 -2.8375562 -8.5499184 -15.349597
|
|
108600 6.0956766e-07 -2.5004006 -2.8489216 -8.5437227 -15.337555
|
|
108700 7.7968225e-07 -2.5004006 -2.8624052 -8.5397088 -15.327573
|
|
108800 9.7807566e-07 -2.5004006 -2.8784284 -8.5383293 -15.319962
|
|
108900 1.2031726e-06 -2.5004006 -2.8954385 -8.5400089 -15.315043
|
|
109000 1.4554796e-06 -2.5004006 -2.9130628 -8.5451191 -15.313135
|
|
109100 1.7368325e-06 -2.5004006 -2.9309968 -8.5540107 -15.314523
|
|
109200 2.0489671e-06 -2.5004006 -2.9492988 -8.5670257 -15.319484
|
|
109300 2.3920401e-06 -2.5004006 -2.9698896 -8.5844888 -15.328295
|
|
109400 2.7637732e-06 -2.5004006 -2.9937714 -8.6066937 -15.341197
|
|
109500 3.1594063e-06 -2.5004006 -3.0190384 -8.6338611 -15.358361
|
|
109600 3.5722268e-06 -2.5004006 -3.0451744 -8.6660919 -15.379852
|
|
109700 3.9943975e-06 -2.5004006 -3.0738889 -8.7033259 -15.40561
|
|
109800 4.4179496e-06 -2.5004006 -3.1264147 -8.7453212 -15.435439
|
|
109900 4.8358302e-06 -2.5004006 -3.1926464 -8.7916683 -15.469002
|
|
110000 5.2427423e-06 -2.5004006 -3.2620472 -8.8418282 -15.50584
|
|
110100 5.6355004e-06 -2.5004006 -3.3338744 -8.8951847 -15.545423
|
|
110200 6.0128491e-06 -2.5004006 -3.4074052 -8.9511053 -15.587208
|
|
110300 6.3749561e-06 -2.5004006 -3.4819994 -9.0089991 -15.630702
|
|
110400 6.7228067e-06 -2.5004006 -3.5571458 -9.0683496 -15.675495
|
|
110500 7.0575473e-06 -2.5004006 -3.6324839 -9.1287192 -15.721275
|
|
110600 7.3797433e-06 -2.5004006 -3.7077935 -9.1897336 -15.767809
|
|
110700 7.6886705e-06 -2.5004006 -3.7829624 -9.2510646 -15.814919
|
|
110800 7.981934e-06 -2.5004006 -3.8589983 -9.3124217 -15.862464
|
|
110900 8.2556483e-06 -2.5004006 -3.9355708 -9.3735576 -15.910323
|
|
111000 8.5051218e-06 -2.5004006 -4.0119236 -9.4342848 -15.958387
|
|
111100 8.7257428e-06 -2.5004006 -4.0881369 -9.4944983 -16.006569
|
|
111200 8.913761e-06 -2.5004006 -4.1643481 -9.5541962 -16.054817
|
|
111300 9.0668171e-06 -2.5004006 -4.2407696 -9.6134896 -16.10314
|
|
111400 9.1841976e-06 -2.5004006 -4.317688 -9.6725986 -16.15162
|
|
111500 9.2668004e-06 -2.5004006 -4.3954408 -9.7318276 -16.200413
|
|
111600 9.3167959e-06 -2.5004006 -4.4743719 -9.7915244 -16.249732
|
|
111700 9.337047e-06 -2.5004006 -4.5547755 -9.8520308 -16.299817
|
|
111800 9.3304488e-06 -2.5004006 -4.636842 -9.9136385 -16.350895
|
|
111900 9.2993681e-06 -2.5004006 -4.7206196 -9.9765595 -16.403153
|
|
112000 9.2452764e-06 -2.5004006 -4.8060026 -10.040913 -16.456714
|
|
112100 9.1685974e-06 -2.5004006 -4.8927457 -10.106724 -16.511635
|
|
112200 9.0687823e-06 -2.5004006 -4.9804983 -10.173934 -16.5679
|
|
112300 8.944641e-06 -2.5004006 -5.0688456 -10.242406 -16.625431
|
|
112400 8.7948926e-06 -2.5004006 -5.157345 -10.311938 -16.684087
|
|
112500 8.6187879e-06 -2.5215298 -5.2455492 -10.382268 -16.743674
|
|
112600 8.416589e-06 -2.6271999 -5.3330146 -10.453077 -16.803944
|
|
112700 8.1897625e-06 -2.7311225 -5.4193007 -10.52399 -16.864602
|
|
112800 7.9408788e-06 -2.8316816 -5.5039695 -10.594593 -16.925306
|
|
112900 7.6733103e-06 -2.9283994 -5.5865907 -10.664443 -16.985688
|
|
113000 7.390825e-06 -3.0209084 -5.6667585 -10.733096 -17.045368
|
|
113100 7.0971404e-06 -3.1089967 -5.7441177 -10.800135 -17.103987
|
|
113200 6.7955021e-06 -3.1926309 -5.8183944 -10.865203 -17.161237
|
|
113300 6.4883736e-06 -3.2719499 -5.8894218 -10.928021 -17.216882
|
|
113400 6.1773169e-06 -3.3472318 -5.9571525 -10.988397 -17.270768
|
|
113500 5.8630885e-06 -3.4188422 -6.0216546 -11.046227 -17.322825
|
|
113600 5.5459073e-06 -3.4871784 -6.0830894 -11.101482 -17.373052
|
|
113700 5.2258176e-06 -3.5526228 -6.1416794 -11.154194 -17.421494
|
|
113800 4.9030728e-06 -3.6155133 -6.1976736 -11.204441 -17.468222
|
|
113900 4.5784639e-06 -3.676134 -6.2513187 -11.252331 -17.513319
|
|
114000 4.2535123e-06 -3.7347204 -6.3028421 -11.298005 -17.556864
|
|
114100 3.9304639e-06 -3.7914694 -6.3524462 -11.341626 -17.598938
|
|
114200 3.6120818e-06 -3.8465437 -6.4003108 -11.383386 -17.639625
|
|
114300 3.3013084e-06 -3.9000646 -6.4465971 -11.423497 -17.679023
|
|
114400 3.000903e-06 -3.9520926 -6.4914472 -11.462185 -17.717245
|
|
114500 2.71314e-06 -4.0026025 -6.534976 -11.499672 -17.754418
|
|
114600 2.4396133e-06 -4.0514629 -6.5772551 -11.53615 -17.790677
|
|
114700 2.1811631e-06 -4.09843 -6.6182928 -11.571765 -17.826143
|
|
114800 1.937937e-06 -4.1431583 -6.6580182 -11.606594 -17.860911
|
|
114900 1.7095797e-06 -4.1852306 -6.6962738 -11.640634 -17.895031
|
|
115000 1.4955164e-06 -4.2241991 -6.7328222 -11.673804 -17.928502
|
|
115100 1.2952537e-06 -4.2596304 -6.7673659 -11.705953 -17.961267
|
|
115200 1.1086212e-06 -4.2911436 -6.799577 -11.736878 -17.993216
|
|
115300 9.3589775e-07 -4.3184364 -6.8291295 -11.766343 -18.024197
|
|
115400 7.7780598e-07 -4.3412954 -6.8557293 -11.794094 -18.054026
|
|
115500 6.3538495e-07 -4.3595944 -6.8791349 -11.819883 -18.082503
|
|
115600 5.0977442e-07 -4.3732855 -6.8991689 -11.843474 -18.10942
|
|
115700 4.0196207e-07 -4.3823894 -6.9157192 -11.864655 -18.134577
|
|
115800 3.1255607e-07 -4.3869904 -6.9287352 -11.883243 -18.157791
|
|
115900 2.4163786e-07 -4.3872364 -6.9382219 -11.899095 -18.178905
|
|
116000 1.8872243e-07 -4.383342 -6.9442352 -11.912111 -18.197798
|
|
116100 1.5282277e-07 -4.3755894 -6.9468791 -11.922245 -18.214396
|
|
116200 1.3259628e-07 -4.3643232 -6.9463059 -11.929504 -18.22867
|
|
116300 1.2654338e-07 -4.3499364 -6.9427138 -11.933956 -18.240644
|
|
116400 1.3322195e-07 -4.332846 -6.9363422 -11.935721 -18.250388
|
|
116500 1.514324e-07 -4.313464 -6.9274615 -11.934965 -18.258012
|
|
116600 1.8032733e-07 -4.2921667 -6.9163579 -11.931887 -18.263651
|
|
116700 2.1941753e-07 -4.2692694 -6.9033149 -11.926704 -18.267459
|
|
116800 2.6847901e-07 -4.2450107 -6.8885954 -11.91964 -18.26959
|
|
116900 3.2739493e-07 -4.2195482 -6.8724265 -11.910915 -18.270194
|
|
117000 3.9597905e-07 -4.1929627 -6.8549898 -11.900736 -18.269409
|
|
117100 4.7382263e-07 -4.1652701 -6.8364186 -11.889296 -18.267361
|
|
117200 5.6019505e-07 -4.1364328 -6.8167988 -11.876764 -18.264162
|
|
117300 6.5401566e-07 -4.1063711 -6.7961737 -11.863291 -18.259916
|
|
117400 7.5390056e-07 -4.074969 -6.7745486 -11.848996 -18.254718
|
|
117500 8.5827252e-07 -4.0420799 -6.7518944 -11.833964 -18.248653
|
|
117600 9.6550892e-07 -4.0075307 -6.7281501 -11.818241 -18.24179
|
|
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137200 1.3718733e-07 -2.5004006 -5.4129035 -10.757057 -17.372474
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|
156800 9.2802148e-10 -2.5004006 -5.4105388 -10.720292 -17.259045
|
|
156900 9.9459842e-10 -2.5004006 -5.4112335 -10.720523 -17.258053
|
|
157000 1.0728967e-09 -2.5004006 -5.4120045 -10.720828 -17.257121
|
|
157100 1.1618421e-09 -2.5004006 -5.4128467 -10.721205 -17.256253
|
|
157200 1.2603445e-09 -2.5004006 -5.4137554 -10.721649 -17.255449
|
|
157300 1.3672709e-09 -2.5004006 -5.4147261 -10.722156 -17.25471
|
|
157400 1.4814262e-09 -2.5004006 -5.4157553 -10.722721 -17.254036
|
|
157500 1.6015478e-09 -2.5004006 -5.4168395 -10.723342 -17.253428
|
|
157600 1.7263161e-09 -2.5004006 -5.4179763 -10.724013 -17.252883
|
|
157700 1.8543789e-09 -2.5004006 -5.4191635 -10.724733 -17.252402
|
|
157800 1.9843869e-09 -2.5004006 -5.4203997 -10.725498 -17.251981
|
|
157900 2.1150318e-09 -2.5004006 -5.4216839 -10.726306 -17.25162
|
|
158000 2.2450816e-09 -2.5004006 -5.4230153 -10.727156 -17.251317
|
|
158100 2.3734049e-09 -2.5004006 -5.4243934 -10.728046 -17.251068
|
|
158200 2.4989819e-09 -2.5004006 -5.4258176 -10.728976 -17.250872
|
|
158300 2.6209012e-09 -2.5004006 -5.4272873 -10.729945 -17.250727
|
|
158400 2.7383439e-09 -2.5004006 -5.4288018 -10.730953 -17.25063
|
|
158500 2.8505612e-09 -2.5004006 -5.4303597 -10.732 -17.250581
|
|
158600 2.9568506e-09 -2.5004006 -5.4319595 -10.733086 -17.250577
|
|
158700 3.0565375e-09 -2.5004006 -5.433599 -10.734209 -17.250618
|
|
158800 3.1489662e-09 -2.5004006 -5.4352753 -10.73537 -17.250703
|
|
158900 3.233503e-09 -2.5004006 -5.4369853 -10.736568 -17.250832
|
|
159000 3.3095496e-09 -2.5004006 -5.438725 -10.737801 -17.251004
|
|
159100 3.3765645e-09 -2.5004006 -5.4404902 -10.739067 -17.251221
|
|
159200 3.4340876e-09 -2.5004006 -5.442276 -10.740364 -17.251481
|
|
159300 3.4817613e-09 -2.5004006 -5.4440776 -10.741689 -17.251787
|
|
159400 3.519345e-09 -2.5004006 -5.4458896 -10.743039 -17.252137
|
|
159500 3.5467184e-09 -2.5004006 -5.4477069 -10.74441 -17.252532
|
|
159600 3.5638745e-09 -2.5004006 -5.4495245 -10.745798 -17.252973
|
|
159700 3.5709026e-09 -2.5004006 -5.4513374 -10.7472 -17.253459
|
|
159800 3.5679663e-09 -2.5004006 -5.4531412 -10.74861 -17.25399
|
|
159900 3.5552803e-09 -2.5004006 -5.4549318 -10.750025 -17.254564
|
|
160000 3.5330905e-09 -2.5004006 -5.4567055 -10.75144 -17.255181
|
|
Loop time of 49.2753 on 1 procs for 60000 steps with 9576 atoms
|
|
|
|
Performance: 10520476.677 tau/day, 1217.648 timesteps/s, 11.660 Matom-step/s
|
|
99.7% CPU use with 1 MPI tasks x no OpenMP threads
|
|
|
|
MPI task timing breakdown:
|
|
Section | min time | avg time | max time |%varavg| %total
|
|
---------------------------------------------------------------
|
|
Pair | 6.0276 | 6.0276 | 6.0276 | 0.0 | 12.23
|
|
Bond | 36.671 | 36.671 | 36.671 | 0.0 | 74.42
|
|
Neigh | 0.63507 | 0.63507 | 0.63507 | 0.0 | 1.29
|
|
Comm | 0.063752 | 0.063752 | 0.063752 | 0.0 | 0.13
|
|
Output | 0.3562 | 0.3562 | 0.3562 | 0.0 | 0.72
|
|
Modify | 4.5593 | 4.5593 | 4.5593 | 0.0 | 9.25
|
|
Other | | 0.9622 | | | 1.95
|
|
|
|
Nlocal: 9576 ave 9576 max 9576 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Nghost: 0 ave 0 max 0 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
Neighs: 44691 ave 44691 max 44691 min
|
|
Histogram: 1 0 0 0 0 0 0 0 0 0
|
|
|
|
Total # of neighbors = 44691
|
|
Ave neighs/atom = 4.6669799
|
|
Ave special neighs/atom = 11.495405
|
|
Neighbor list builds = 147
|
|
Dangerous builds = 0
|
|
Total wall time: 0:01:55
|