diff --git a/examples/granregion/log.15Sep22.granregion.box.g++.1 b/examples/granregion/log.15Sep22.granregion.box.g++.1 new file mode 100644 index 0000000000..0df89d49ee --- /dev/null +++ b/examples/granregion/log.15Sep22.granregion.box.g++.1 @@ -0,0 +1,493 @@ +LAMMPS (15 Sep 2022) +# pouring spheres into container box + +units lj +atom_style sphere +boundary f f f +dimension 3 +comm_modify vel yes + +region box block -10 10 -10 10 -10 10 units box +create_box 2 box +Created orthogonal box = (-10 -10 -10) to (10 10 10) + 1 by 1 by 1 MPI processor grid + +pair_style hybrid gran/hooke 4000.0 NULL 100.0 NULL 0.5 1 +pair_coeff * * gran/hooke + +region container block -6 6 -6 6 -6 6 units box +fix container all wall/gran/region hooke/history 4000.0 NULL 100.0 NULL 0.5 1 region container + +neighbor 0.3 bin +neigh_modify delay 0 every 1 check yes + +fix 2 all nve/sphere +fix 3 all gravity 1.0 vector 0 0 -1 + +region slab block -2 2 -2 2 -2 2 units box +fix ins all pour 100 2 4767548 vol 0.4 10 diam one 1.0 region slab ignore +Particle insertion: 48 every 566 steps, 100 by step 1133 + +timestep 0.005 + +compute 1 all temp +compute_modify 1 dynamic/dof yes + +compute 2 all temp/sphere +compute_modify 2 dynamic/dof yes + +thermo 100 +thermo_style custom step atoms temp c_1 c_2 press +thermo_modify lost ignore +compute_modify thermo_temp dynamic/dof yes + +#dump 2 all image 100 image.*.jpg type type # zoom 1.4 adiam 1.0 box no 0.0 axes yes 0.9 0.03 +#dump_modify 2 pad 5 + +run 5000 +Generated 0 of 1 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 = 1.3 + binsize = 0.65, bins = 31 31 31 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair gran/hooke, perpetual + attributes: half, newton on, size + pair build: half/size/bin/newton + stencil: half/bin/3d + bin: standard +Per MPI rank memory allocation (min/avg/max) = 0.5861 | 0.5861 | 0.5861 Mbytes + Step Atoms Temp c_1 c_2 Press + 0 0 0 0 0 0 +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 100 30 0.803783 0.803783 0.39507978 0.0029137134 + 200 30 1.1967995 1.1967995 0.5882574 0.0043383984 + 300 30 1.2814686 1.2814686 0.62987441 0.0046453238 + 400 30 0.82331082 0.82331082 0.41173176 0.0029845017 + 500 30 0.7708462 0.7708462 0.38777784 0.0043831147 +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 600 64 0.51564897 0.51564897 0.26631577 0.0040059368 + 700 64 0.57239348 0.57239348 0.29566901 0.0045075987 + 800 64 0.61837087 0.61837087 0.32195387 0.0048123564 + 900 64 0.53061888 0.53061888 0.28564763 0.0055906552 + 1000 64 0.496299 0.496299 0.26801572 0.0061169128 + 1100 64 0.46068308 0.46068308 0.24699057 0.0055717699 +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 1200 99 0.39206225 0.39206225 0.21356546 0.0066294211 + 1300 99 0.38624966 0.38624966 0.21345854 0.0049051051 + 1400 99 0.35615284 0.35615284 0.19785725 0.0046170772 + 1500 99 0.31486693 0.31486693 0.17429055 0.0064903432 + 1600 99 0.26369001 0.26369001 0.15095266 0.0045226847 + 1700 100 0.1925923 0.1925923 0.11308104 0.007362313 + 1800 100 0.13724978 0.13724978 0.083276845 0.0058136373 + 1900 100 0.077212636 0.077212636 0.053159386 0.0016509598 + 2000 100 0.065294031 0.065294031 0.04372752 0.0020346467 + 2100 100 0.057431398 0.057431398 0.037977068 0.0012681098 + 2200 100 0.059093045 0.059093045 0.037435193 0.00096610799 + 2300 100 0.03422338 0.03422338 0.025491304 0.00069886052 + 2400 100 0.020558284 0.020558284 0.016163009 0.0017260663 + 2500 100 0.015339709 0.015339709 0.012329236 0.00041308031 + 2600 100 0.012891354 0.012891354 0.009766054 0.00030356722 + 2700 100 0.0092634449 0.0092634449 0.0073580108 0.00077723051 + 2800 100 0.0073925841 0.0073925841 0.0059932218 0.00016466767 + 2900 100 0.0081228267 0.0081228267 0.006281761 0.00013828388 + 3000 100 0.0041833223 0.0041833223 0.0035147096 0.00013160599 + 3100 100 0.0035930775 0.0035930775 0.0030039922 0.00060639771 + 3200 100 0.0030824465 0.0030824465 0.0026541293 0.00047391014 + 3300 100 0.0035087522 0.0035087522 0.0027664508 0.00014080317 + 3400 100 0.0018537868 0.0018537868 0.0017099705 6.3326674e-05 + 3500 100 0.0015371228 0.0015371228 0.0014155433 0.00021612522 + 3600 100 0.001708556 0.001708556 0.0014369892 8.1034202e-05 + 3700 100 0.00095948652 0.00095948652 0.0009788528 3.4694023e-05 + 3800 100 0.00091875668 0.00091875668 0.00086805146 3.9373686e-05 + 3900 100 0.001557068 0.001557068 0.001159526 2.5178607e-05 + 4000 100 0.00062012451 0.00062012451 0.00066806922 5.6680551e-06 + 4100 100 0.00060940771 0.00060940771 0.00065614741 1.0137901e-05 + 4200 100 0.00059538437 0.00059538437 0.00064501521 7.3679744e-06 + 4300 100 0.00052946048 0.00052946048 0.00059353641 5.9225081e-06 + 4400 100 0.00051202281 0.00051202281 0.00057524772 3.6198435e-05 + 4500 100 0.00049986632 0.00049986632 0.00055754521 2.2275519e-05 + 4600 100 0.00048187334 0.00048187334 0.00053988815 2.2015243e-05 + 4700 100 0.00045261491 0.00045261491 0.00050298355 8.9681339e-05 + 4800 100 0.00034965427 0.00034965427 0.0004278781 1.0983535e-05 + 4900 100 0.00033555621 0.00033555621 0.00041435167 2.9266598e-05 + 5000 100 0.00031387148 0.00031387148 0.00039605781 2.5628425e-05 +Loop time of 0.078687 on 1 procs for 5000 steps with 100 atoms + +Performance: 27450544.413 tau/day, 63542.927 timesteps/s, 6.354 Matom-step/s +80.5% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.0084151 | 0.0084151 | 0.0084151 | 0.0 | 10.69 +Neigh | 0.012728 | 0.012728 | 0.012728 | 0.0 | 16.18 +Comm | 0.0056143 | 0.0056143 | 0.0056143 | 0.0 | 7.14 +Output | 0.00051411 | 0.00051411 | 0.00051411 | 0.0 | 0.65 +Modify | 0.041412 | 0.041412 | 0.041412 | 0.0 | 52.63 +Other | | 0.01 | | | 12.71 + +Nlocal: 100 ave 100 max 100 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: 164 ave 164 max 164 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 164 +Ave neighs/atom = 1.64 +Neighbor list builds = 281 +Dangerous builds = 0 + +region container delete +variable theta equal (step-5000)*(4.0*PI/5000) +region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 0 0 1 +run 5000 +Generated 0 of 1 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 = 1.3 + binsize = 0.65, bins = 31 31 31 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair gran/hooke, perpetual + attributes: half, newton on, size + pair build: half/size/bin/newton + stencil: half/bin/3d + bin: standard +Per MPI rank memory allocation (min/avg/max) = 5.837 | 5.837 | 5.837 Mbytes + Step Atoms Temp c_1 c_2 Press + 5000 100 0.00031387148 0.00031387148 0.00039605781 2.6174978e-05 + 5100 100 0.54537023 0.54537023 0.30042175 0.0087427352 + 5200 100 0.57210852 0.57210852 0.3192468 0.0098134067 + 5300 100 0.7168108 0.7168108 0.38577893 0.011004584 + 5400 100 0.78895524 0.78895524 0.41889428 0.013555713 + 5500 100 0.87797874 0.87797874 0.45689223 0.01565356 + 5600 100 0.95424379 0.95424379 0.48830429 0.014707858 + 5700 100 1.0046012 1.0046012 0.51054927 0.01469179 + 5800 100 1.0371453 1.0371453 0.5262568 0.015576788 + 5900 100 1.0545743 1.0545743 0.5361173 0.01589889 + 6000 100 1.0932949 1.0932949 0.55402214 0.017484573 + 6100 100 1.1148364 1.1148364 0.56241126 0.01721788 + 6200 100 1.1315267 1.1315267 0.57050887 0.017961246 + 6300 100 1.1506124 1.1506124 0.58009471 0.017159062 + 6400 100 1.1663328 1.1663328 0.5876586 0.017935311 + 6500 100 1.1821086 1.1821086 0.59595162 0.018005316 + 6600 100 1.2039397 1.2039397 0.60567524 0.021604669 + 6700 100 1.2269911 1.2269911 0.61770224 0.018907995 + 6800 100 1.2447035 1.2447035 0.6257652 0.02053766 + 6900 100 1.2625323 1.2625323 0.63486698 0.020106134 + 7000 100 1.2617127 1.2617127 0.63318163 0.019670429 + 7100 100 1.260715 1.260715 0.63311254 0.019810631 + 7200 100 1.2790404 1.2790404 0.64079001 0.020218903 + 7300 100 1.2760228 1.2760228 0.6395331 0.021749906 + 7400 100 1.2799658 1.2799658 0.64139084 0.020472922 + 7500 100 1.2846473 1.2846473 0.64343085 0.020610025 + 7600 100 1.2883965 1.2883965 0.64491873 0.02074884 + 7700 100 1.2926891 1.2926891 0.64684545 0.020599654 + 7800 100 1.3032201 1.3032201 0.65119455 0.02183405 + 7900 100 1.3025628 1.3025628 0.65068661 0.021248589 + 8000 100 1.3052302 1.3052302 0.65208602 0.021399549 + 8100 100 1.3069867 1.3069867 0.65304849 0.021254794 + 8200 100 1.3092024 1.3092024 0.6543837 0.021220909 + 8300 100 1.3101468 1.3101468 0.65519741 0.021328361 + 8400 100 1.3116005 1.3116005 0.65545253 0.021493555 + 8500 100 1.3153616 1.3153616 0.65731542 0.021433279 + 8600 100 1.3164556 1.3164556 0.65791227 0.021531213 + 8700 100 1.3187245 1.3187245 0.65915974 0.02170181 + 8800 100 1.3215981 1.3215981 0.66036644 0.022358849 + 8900 100 1.3206845 1.3206845 0.65984651 0.021901337 + 9000 100 1.3213046 1.3213046 0.66020378 0.021876353 + 9100 100 1.3225084 1.3225084 0.66088847 0.021811098 + 9200 100 1.3240309 1.3240309 0.66180646 0.021768929 + 9300 100 1.325458 1.325458 0.66280401 0.02165852 + 9400 100 1.3322968 1.3322968 0.66615126 0.022139018 + 9500 100 1.3416035 1.3416035 0.67030794 0.022243129 + 9600 100 1.3353326 1.3353326 0.66692811 0.022622122 + 9700 100 1.336265 1.336265 0.66727395 0.022171165 + 9800 100 1.3344531 1.3344531 0.66634538 0.022025131 + 9900 100 1.3337098 1.3337098 0.66601721 0.022111706 + 10000 100 1.3335539 1.3335539 0.66597627 0.022133817 +Loop time of 0.235008 on 1 procs for 5000 steps with 100 atoms + +Performance: 9191156.994 tau/day, 21275.826 timesteps/s, 2.128 Matom-step/s +94.1% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.029846 | 0.029846 | 0.029846 | 0.0 | 12.70 +Neigh | 0.030211 | 0.030211 | 0.030211 | 0.0 | 12.86 +Comm | 0.005731 | 0.005731 | 0.005731 | 0.0 | 2.44 +Output | 0.00051873 | 0.00051873 | 0.00051873 | 0.0 | 0.22 +Modify | 0.1583 | 0.1583 | 0.1583 | 0.0 | 67.36 +Other | | 0.01041 | | | 4.43 + +Nlocal: 100 ave 100 max 100 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: 186 ave 186 max 186 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 186 +Ave neighs/atom = 1.86 +Neighbor list builds = 626 +Dangerous builds = 0 + +region container delete +region container block -6 6 -6 6 -6 6 units box +run 5000 +Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 5.837 | 5.837 | 5.837 Mbytes + Step Atoms Temp c_1 c_2 Press + 10000 100 1.3335539 1.3335539 0.66597627 0.022207076 + 10100 100 0.29976134 0.29976134 0.1752962 0.0091355801 + 10200 100 0.1548002 0.1548002 0.1005356 0.0062509071 + 10300 100 0.082468613 0.082468613 0.066729575 0.0017315098 + 10400 100 0.06731284 0.06731284 0.056685383 0.0011965765 + 10500 100 0.050167538 0.050167538 0.042388389 0.0010830279 + 10600 100 0.041091371 0.041091371 0.034743534 0.00092984522 + 10700 100 0.033199041 0.033199041 0.027954031 0.0018451338 + 10800 100 0.027880411 0.027880411 0.024437224 0.0013039536 + 10900 100 0.024634597 0.024634597 0.021815184 0.00030935286 + 11000 100 0.020741105 0.020741105 0.018754221 0.0006306901 + 11100 100 0.017210914 0.017210914 0.015842306 0.00075930229 + 11200 100 0.01254319 0.01254319 0.012145795 0.00047388541 + 11300 100 0.010032468 0.010032468 0.0095918697 0.0014677116 + 11400 100 0.0081538458 0.0081538458 0.0080985914 0.00032485316 + 11500 100 0.0072918155 0.0072918155 0.0070156789 0.00023642827 + 11600 100 0.0070136586 0.0070136586 0.0067263114 7.8490444e-05 + 11700 100 0.0061722946 0.0061722946 0.0058832419 0.00013450793 + 11800 100 0.0052444487 0.0052444487 0.0049294304 8.6973121e-05 + 11900 100 0.0048212279 0.0048212279 0.0045261412 0.00010458031 + 12000 100 0.0046782797 0.0046782797 0.0044011937 0.00018881094 + 12100 100 0.0042066617 0.0042066617 0.0040330976 0.00015507521 + 12200 100 0.0038529032 0.0038529032 0.003664712 1.1476621e-05 + 12300 100 0.0033203238 0.0033203238 0.0032404054 0.00027622191 + 12400 100 0.003113731 0.003113731 0.0030491123 3.8532421e-05 + 12500 100 0.0029925149 0.0029925149 0.0029415075 4.2673261e-05 + 12600 100 0.0028383323 0.0028383323 0.0027902992 9.328552e-05 + 12700 100 0.0026386104 0.0026386104 0.0026095714 7.7740986e-05 + 12800 100 0.0023509873 0.0023509873 0.0023518594 3.1944764e-05 + 12900 100 0.0022296104 0.0022296104 0.0022030693 4.5393502e-05 + 13000 100 0.0021991358 0.0021991358 0.0021560478 0.0001221212 + 13100 100 0.0021011001 0.0021011001 0.0020752855 2.4605107e-05 + 13200 100 0.002004495 0.002004495 0.0020040212 2.4805625e-05 + 13300 100 0.0018394135 0.0018394135 0.0018288384 6.2227066e-05 + 13400 100 0.0016314086 0.0016314086 0.0016058102 0.00010372886 + 13500 100 0.0015042857 0.0015042857 0.0014660263 0.00020805178 + 13600 100 0.0013584764 0.0013584764 0.0013177418 5.1603333e-05 + 13700 100 0.0012407449 0.0012407449 0.0011902637 8.87401e-05 + 13800 100 0.0011673364 0.0011673364 0.0011324247 2.3668551e-05 + 13900 100 0.0011429204 0.0011429204 0.0011072347 1.414364e-05 + 14000 100 0.001087543 0.001087543 0.0010616439 3.0874865e-05 + 14100 100 0.00098839393 0.00098839393 0.00096445684 6.5331515e-05 + 14200 100 0.00095139076 0.00095139076 0.00093658993 2.5649208e-05 + 14300 100 0.00089532494 0.00089532494 0.00082626435 2.6200482e-05 + 14400 100 0.00077973015 0.00077973015 0.00070733785 2.29298e-05 + 14500 100 0.00068559117 0.00068559117 0.00062297009 8.4841907e-06 + 14600 100 0.00059199698 0.00059199698 0.00052453148 1.2737231e-05 + 14700 100 0.00055052378 0.00055052378 0.00048459372 1.3028328e-05 + 14800 100 0.00049397913 0.00049397913 0.00044094284 6.1129918e-06 + 14900 100 0.00048082746 0.00048082746 0.00043128724 3.7301936e-06 + 15000 100 0.00046847825 0.00046847825 0.00041484245 5.7974184e-06 +Loop time of 0.0802044 on 1 procs for 5000 steps with 100 atoms + +Performance: 26931180.398 tau/day, 62340.695 timesteps/s, 6.234 Matom-step/s +82.1% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.0080809 | 0.0080809 | 0.0080809 | 0.0 | 10.08 +Neigh | 0.0048815 | 0.0048815 | 0.0048815 | 0.0 | 6.09 +Comm | 0.0055605 | 0.0055605 | 0.0055605 | 0.0 | 6.93 +Output | 0.00050386 | 0.00050386 | 0.00050386 | 0.0 | 0.63 +Modify | 0.051104 | 0.051104 | 0.051104 | 0.0 | 63.72 +Other | | 0.01007 | | | 12.56 + +Nlocal: 100 ave 100 max 100 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: 157 ave 157 max 157 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 157 +Ave neighs/atom = 1.57 +Neighbor list builds = 100 +Dangerous builds = 0 + +region container delete +variable theta equal (step-15000)*(4.0*PI/5000) +region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 1 1 1 +run 5000 +Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 5.837 | 5.837 | 5.837 Mbytes + Step Atoms Temp c_1 c_2 Press + 15000 100 0.00046847825 0.00046847825 0.00041484245 5.7974184e-06 + 15100 100 0.96677694 0.96677694 0.64420785 0.01431184 + 15200 100 1.0659255 1.0659255 0.69293741 0.013240486 + 15300 100 1.1647631 1.1647631 0.75191941 0.014622673 + 15400 100 1.3411593 1.3411593 0.85696383 0.02561549 + 15500 100 1.6033758 1.6033758 0.99094919 0.026221789 + 15600 100 1.7889645 1.7889645 1.075315 0.024116301 + 15700 100 1.8077023 1.8077023 1.0842652 0.031781756 + 15800 100 2.0252655 2.0252655 1.1517407 0.037201818 + 15900 100 2.1479427 2.1479427 1.2061238 0.027668435 + 16000 100 2.1788838 2.1788838 1.2205599 0.029114273 + 16100 100 2.3257431 2.3257431 1.2921157 0.035663063 + 16200 100 2.3885449 2.3885449 1.3282237 0.032255517 + 16300 100 2.3670966 2.3670966 1.3091694 0.029579008 + 16400 100 2.5097781 2.5097781 1.3712036 0.034579196 + 16500 100 2.6440883 2.6440883 1.4440043 0.03347813 + 16600 100 2.7230084 2.7230084 1.481565 0.036660339 + 16700 100 2.8246108 2.8246108 1.5298387 0.035623641 + 16800 100 3.0338694 3.0338694 1.6333504 0.038818594 + 16900 100 3.1219584 3.1219584 1.6790766 0.043444123 + 17000 100 3.4103817 3.4103817 1.8222668 0.044524654 + 17100 100 3.3869069 3.3869069 1.8170743 0.050670801 + 17200 100 3.4220314 3.4220314 1.8312364 0.045956123 + 17300 100 3.396894 3.396894 1.8158291 0.050420297 + 17400 100 3.4508224 3.4508224 1.8429996 0.049923733 + 17500 100 3.5039601 3.5039601 1.8822352 0.051047713 + 17600 100 3.3743905 3.3743905 1.8380347 0.047922214 + 17700 100 3.3729709 3.3729709 1.8224123 0.04758126 + 17800 100 3.3237798 3.3237798 1.7962316 0.045427975 + 17900 100 3.2441052 3.2441052 1.7782748 0.044651231 + 18000 100 3.1169205 3.1169205 1.704639 0.047440495 + 18100 100 3.1704608 3.1704608 1.7326375 0.045656546 + 18200 100 3.1113438 3.1113438 1.7002232 0.041619255 + 18300 100 3.2506111 3.2506111 1.7693075 0.048028527 + 18400 100 3.3840681 3.3840681 1.8370672 0.04443243 + 18500 100 3.4822823 3.4822823 1.9125273 0.043687118 + 18600 100 3.5214372 3.5214372 1.9364829 0.049798605 + 18700 100 3.5439229 3.5439229 1.9441301 0.046240266 + 18800 100 3.6046761 3.6046761 1.9791448 0.054369382 + 18900 100 3.8598403 3.8598403 2.0999449 0.049863074 + 19000 100 3.8606461 3.8606461 2.0885493 0.050269245 + 19100 100 4.076627 4.076627 2.2025766 0.058050893 + 19200 100 3.8280814 3.8280814 2.0749884 0.05730905 + 19300 100 3.8211633 3.8211633 2.0759453 0.05145071 + 19400 100 3.7726284 3.7726284 2.0466555 0.053566404 + 19500 100 3.7468403 3.7468403 2.03218 0.048422025 + 19600 100 3.6408955 3.6408955 1.9873843 0.046565134 + 19700 100 3.6454187 3.6454187 2.0042204 0.049299897 + 19800 100 3.5165071 3.5165071 1.937379 0.046319859 + 19900 100 3.4670702 3.4670702 1.9140316 0.045650114 + 20000 100 3.6114294 3.6114294 1.9798674 0.05431148 +Loop time of 0.203164 on 1 procs for 5000 steps with 100 atoms + +Performance: 10631806.993 tau/day, 24610.664 timesteps/s, 2.461 Matom-step/s +92.3% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.01242 | 0.01242 | 0.01242 | 0.0 | 6.11 +Neigh | 0.044478 | 0.044478 | 0.044478 | 0.0 | 21.89 +Comm | 0.0057766 | 0.0057766 | 0.0057766 | 0.0 | 2.84 +Output | 0.00051702 | 0.00051702 | 0.00051702 | 0.0 | 0.25 +Modify | 0.12923 | 0.12923 | 0.12923 | 0.0 | 63.61 +Other | | 0.01074 | | | 5.29 + +Nlocal: 100 ave 100 max 100 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: 142 ave 142 max 142 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 142 +Ave neighs/atom = 1.42 +Neighbor list builds = 909 +Dangerous builds = 0 + +region container delete +region container block -6 6 -6 6 -6 6 units box +run 5000 +Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 5.837 | 5.837 | 5.837 Mbytes + Step Atoms Temp c_1 c_2 Press + 20000 100 3.6114294 3.6114294 1.9798674 0.053887263 + 20100 100 1.0907336 1.0907336 0.69799767 0.013925984 + 20200 100 0.92304387 0.92304387 0.59520318 0.012377709 + 20300 100 0.84004201 0.84004201 0.55081472 0.012108246 + 20400 100 0.89491209 0.89491209 0.56269969 0.01221427 + 20500 100 0.92011482 0.92011482 0.56971815 0.011353588 + 20600 100 0.95722998 0.95722998 0.58038747 0.01185569 + 20700 100 0.92635786 0.92635786 0.55373959 0.011953734 + 20800 100 0.93088162 0.93088162 0.55094813 0.012887472 + 20900 100 0.97288373 0.97288373 0.56309599 0.013731021 + 21000 100 0.63378762 0.63378762 0.3779177 0.010114787 + 21100 100 0.34618473 0.34618473 0.21652381 0.0070717708 + 21200 100 0.18660008 0.18660008 0.1302051 0.006504227 + 21300 100 0.13917709 0.13917709 0.09667499 0.0032593765 + 21400 100 0.11627047 0.11627047 0.080272858 0.0028891045 + 21500 100 0.086269781 0.086269781 0.064184981 0.0019374959 + 21600 100 0.08052393 0.08052393 0.059561101 0.001214522 + 21700 100 0.036026032 0.036026032 0.030243348 0.001199233 + 21800 100 0.02392645 0.02392645 0.022284244 0.00060060634 + 21900 100 0.016991266 0.016991266 0.017366625 0.00065672411 + 22000 100 0.016974877 0.016974877 0.016399245 0.0005903103 + 22100 100 0.015491818 0.015491818 0.014806105 0.00051181051 + 22200 100 0.011908698 0.011908698 0.011206673 0.00099478656 + 22300 100 0.010002714 0.010002714 0.0093749794 0.00028214624 + 22400 100 0.0081652616 0.0081652616 0.0079594664 0.00026841276 + 22500 100 0.0067602843 0.0067602843 0.0067498831 0.00019472612 + 22600 100 0.0061024058 0.0061024058 0.0062958451 0.00016615781 + 22700 100 0.005331422 0.005331422 0.0056152366 0.00021543475 + 22800 100 0.0040796708 0.0040796708 0.004140932 0.00024397062 + 22900 100 0.0042042089 0.0042042089 0.0040406804 0.00015880055 + 23000 100 0.0056083872 0.0056083872 0.0046056699 0.00029203396 + 23100 100 0.0035006398 0.0035006398 0.003343101 0.00010571574 + 23200 100 0.0032402473 0.0032402473 0.003122476 0.00012784403 + 23300 100 0.0030100724 0.0030100724 0.0029649423 8.5613724e-05 + 23400 100 0.002746305 0.002746305 0.0027519317 9.6521844e-05 + 23500 100 0.0028543876 0.0028543876 0.002842845 0.00012566665 + 23600 100 0.0036979234 0.0036979234 0.0032448309 8.6321879e-05 + 23700 100 0.0030503565 0.0030503565 0.0027392305 5.9716835e-05 + 23800 100 0.0021564041 0.0021564041 0.0022097768 0.00028317769 + 23900 100 0.0018905956 0.0018905956 0.0020002233 4.5205733e-05 + 24000 100 0.0015705513 0.0015705513 0.0017262538 0.00026550225 + 24100 100 0.0013341334 0.0013341334 0.0015663921 4.8307183e-05 + 24200 100 0.0012426828 0.0012426828 0.0014960127 5.5195907e-05 + 24300 100 0.0011933799 0.0011933799 0.0014508697 5.2781568e-05 + 24400 100 0.0010126015 0.0010126015 0.0012821281 0.00011096457 + 24500 100 0.00094102576 0.00094102576 0.0012265703 3.3454252e-05 + 24600 100 0.00092243997 0.00092243997 0.0011970533 3.7288789e-05 + 24700 100 0.00080565605 0.00080565605 0.0010864406 0.00015797228 + 24800 100 0.00075303124 0.00075303124 0.0010103671 5.4727635e-05 + 24900 100 0.00074808599 0.00074808599 0.0010053951 8.6607732e-05 + 25000 100 0.00071720457 0.00071720457 0.00096622937 0.00015861964 +Loop time of 0.0845534 on 1 procs for 5000 steps with 100 atoms + +Performance: 25545994.179 tau/day, 59134.246 timesteps/s, 5.913 Matom-step/s +90.2% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.0091411 | 0.0091411 | 0.0091411 | 0.0 | 10.81 +Neigh | 0.013557 | 0.013557 | 0.013557 | 0.0 | 16.03 +Comm | 0.0056205 | 0.0056205 | 0.0056205 | 0.0 | 6.65 +Output | 0.0005087 | 0.0005087 | 0.0005087 | 0.0 | 0.60 +Modify | 0.045578 | 0.045578 | 0.045578 | 0.0 | 53.90 +Other | | 0.01015 | | | 12.00 + +Nlocal: 100 ave 100 max 100 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: 151 ave 151 max 151 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 151 +Ave neighs/atom = 1.51 +Neighbor list builds = 286 +Dangerous builds = 0 +Total wall time: 0:00:00 diff --git a/examples/granregion/log.15Sep22.granregion.box.g++.4 b/examples/granregion/log.15Sep22.granregion.box.g++.4 new file mode 100644 index 0000000000..3e83d3bb04 --- /dev/null +++ b/examples/granregion/log.15Sep22.granregion.box.g++.4 @@ -0,0 +1,493 @@ +LAMMPS (15 Sep 2022) +# pouring spheres into container box + +units lj +atom_style sphere +boundary f f f +dimension 3 +comm_modify vel yes + +region box block -10 10 -10 10 -10 10 units box +create_box 2 box +Created orthogonal box = (-10 -10 -10) to (10 10 10) + 1 by 2 by 2 MPI processor grid + +pair_style hybrid gran/hooke 4000.0 NULL 100.0 NULL 0.5 1 +pair_coeff * * gran/hooke + +region container block -6 6 -6 6 -6 6 units box +fix container all wall/gran/region hooke/history 4000.0 NULL 100.0 NULL 0.5 1 region container + +neighbor 0.3 bin +neigh_modify delay 0 every 1 check yes + +fix 2 all nve/sphere +fix 3 all gravity 1.0 vector 0 0 -1 + +region slab block -2 2 -2 2 -2 2 units box +fix ins all pour 100 2 4767548 vol 0.4 10 diam one 1.0 region slab ignore +Particle insertion: 48 every 566 steps, 100 by step 1133 + +timestep 0.005 + +compute 1 all temp +compute_modify 1 dynamic/dof yes + +compute 2 all temp/sphere +compute_modify 2 dynamic/dof yes + +thermo 100 +thermo_style custom step atoms temp c_1 c_2 press +thermo_modify lost ignore +compute_modify thermo_temp dynamic/dof yes + +#dump 2 all image 100 image.*.jpg type type # zoom 1.4 adiam 1.0 box no 0.0 axes yes 0.9 0.03 +#dump_modify 2 pad 5 + +run 5000 +Generated 0 of 1 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 = 1.3 + binsize = 0.65, bins = 31 31 31 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair gran/hooke, perpetual + attributes: half, newton on, size + pair build: half/size/bin/newton + stencil: half/bin/3d + bin: standard +Per MPI rank memory allocation (min/avg/max) = 0.4843 | 0.4843 | 0.4843 Mbytes + Step Atoms Temp c_1 c_2 Press + 0 0 0 0 0 0 +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 100 30 0.803783 0.803783 0.39507978 0.0029137134 + 200 30 1.1967995 1.1967995 0.5882574 0.0043383984 + 300 30 1.2814686 1.2814686 0.62987441 0.0046453238 + 400 30 0.82331082 0.82331082 0.41173176 0.0029845017 + 500 30 0.7708462 0.7708462 0.38777784 0.0043831147 +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 600 64 0.51564897 0.51564897 0.26631577 0.0040059368 + 700 64 0.57239348 0.57239348 0.29566901 0.0045075987 + 800 64 0.61837087 0.61837087 0.32195387 0.0048123564 + 900 64 0.53061888 0.53061888 0.28564763 0.0055906552 + 1000 64 0.496299 0.496299 0.26801572 0.0061169128 + 1100 64 0.46068308 0.46068308 0.24699057 0.0055717699 +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 1200 99 0.39206225 0.39206225 0.21356546 0.0066294211 + 1300 99 0.38624966 0.38624966 0.21345854 0.0049051051 + 1400 99 0.35615284 0.35615284 0.19785725 0.0046170774 + 1500 99 0.31486691 0.31486691 0.17429054 0.0064903404 + 1600 99 0.26369 0.26369 0.15095263 0.0045226821 + 1700 100 0.19259352 0.19259352 0.11308184 0.0073603886 + 1800 100 0.1372448 0.1372448 0.083273652 0.0058163062 + 1900 100 0.077253038 0.077253038 0.053166156 0.0017440856 + 2000 100 0.065472093 0.065472093 0.04375349 0.0018416047 + 2100 100 0.057213469 0.057213469 0.037773954 0.001226231 + 2200 100 0.058857437 0.058857437 0.0372655 0.00090812381 + 2300 100 0.035066108 0.035066108 0.025934054 0.00072114554 + 2400 100 0.021272125 0.021272125 0.016635107 0.0018506654 + 2500 100 0.015530432 0.015530432 0.012533546 0.0013883971 + 2600 100 0.012603946 0.012603946 0.0096981459 0.00038648118 + 2700 100 0.0097347475 0.0097347475 0.0076016624 0.00057313888 + 2800 100 0.0067081771 0.0067081771 0.0056944431 0.00085080075 + 2900 100 0.0089177981 0.0089177981 0.0065036822 0.00028986539 + 3000 100 0.0057840287 0.0057840287 0.0044989265 0.00016111737 + 3100 100 0.0038909621 0.0038909621 0.0031511938 0.0001708892 + 3200 100 0.0029043214 0.0029043214 0.0025807767 9.2473673e-05 + 3300 100 0.0022769336 0.0022769336 0.0021487157 0.00022312666 + 3400 100 0.0015571397 0.0015571397 0.0016669068 0.0003381372 + 3500 100 0.0015978184 0.0015978184 0.001707772 4.9930818e-05 + 3600 100 0.0023358916 0.0023358916 0.0020709426 9.7687609e-05 + 3700 100 0.0011186736 0.0011186736 0.0012146914 9.3338234e-05 + 3800 100 0.0011657036 0.0011657036 0.0012313764 3.1931251e-05 + 3900 100 0.0014998387 0.0014998387 0.0014015491 2.4226798e-05 + 4000 100 0.0010858335 0.0010858335 0.0010623286 1.6359241e-05 + 4100 100 0.0010464314 0.0010464314 0.0010123557 1.2949588e-05 + 4200 100 0.0010022428 0.0010022428 0.00097338971 1.2402332e-05 + 4300 100 0.00080622372 0.00080622372 0.00084329652 0.00033857037 + 4400 100 0.00073613921 0.00073613921 0.00078373608 1.0103949e-05 + 4500 100 0.00071402196 0.00071402196 0.00076658004 8.8360218e-06 + 4600 100 0.00064851765 0.00064851765 0.00071533461 1.0736438e-05 + 4700 100 0.00061146699 0.00061146699 0.00068274687 4.1341755e-06 + 4800 100 0.00059511472 0.00059511472 0.0006625527 7.3645447e-06 + 4900 100 0.00057700347 0.00057700347 0.0006468562 1.5411897e-05 + 5000 100 0.00056205001 0.00056205001 0.00063592505 7.8813845e-06 +Loop time of 0.0856033 on 4 procs for 5000 steps with 100 atoms + +Performance: 25232672.400 tau/day, 58408.964 timesteps/s, 5.841 Matom-step/s +88.4% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.0034695 | 0.0050634 | 0.0068805 | 2.2 | 5.91 +Neigh | 0.0016916 | 0.0024175 | 0.0032212 | 1.5 | 2.82 +Comm | 0.020003 | 0.026482 | 0.033796 | 3.5 | 30.94 +Output | 0.0010864 | 0.001327 | 0.0014374 | 0.4 | 1.55 +Modify | 0.0067352 | 0.015857 | 0.025751 | 7.2 | 18.52 +Other | | 0.03446 | | | 40.25 + +Nlocal: 25 ave 53 max 0 min +Histogram: 2 0 0 0 0 0 0 0 1 1 +Nghost: 4 ave 8 max 0 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Neighs: 40.5 ave 92 max 0 min +Histogram: 2 0 0 0 0 0 0 1 0 1 + +Total # of neighbors = 162 +Ave neighs/atom = 1.62 +Neighbor list builds = 288 +Dangerous builds = 0 + +region container delete +variable theta equal (step-5000)*(4.0*PI/5000) +region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 0 0 1 +run 5000 +Generated 0 of 1 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 = 1.3 + binsize = 0.65, bins = 31 31 31 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair gran/hooke, perpetual + attributes: half, newton on, size + pair build: half/size/bin/newton + stencil: half/bin/3d + bin: standard +Per MPI rank memory allocation (min/avg/max) = 5.609 | 5.672 | 5.734 Mbytes + Step Atoms Temp c_1 c_2 Press + 5000 100 0.00056205001 0.00056205001 0.00063592505 7.871665e-06 + 5100 100 0.59585977 0.59585977 0.32464933 0.0141718 + 5200 100 0.67306764 0.67306764 0.35872096 0.013373672 + 5300 100 0.76065187 0.76065187 0.39925025 0.011460301 + 5400 100 0.87984446 0.87984446 0.45261417 0.013937042 + 5500 100 0.95548319 0.95548319 0.48706892 0.013601658 + 5600 100 0.9993278 0.9993278 0.50830306 0.015663766 + 5700 100 1.0449415 1.0449415 0.52967249 0.016797841 + 5800 100 1.0767598 1.0767598 0.54508699 0.016128855 + 5900 100 1.118688 1.118688 0.56530849 0.016830117 + 6000 100 1.1535698 1.1535698 0.58290663 0.01715335 + 6100 100 1.1753828 1.1753828 0.59419088 0.019273207 + 6200 100 1.1994171 1.1994171 0.60433264 0.018391566 + 6300 100 1.2244707 1.2244707 0.61626199 0.018842556 + 6400 100 1.2507994 1.2507994 0.62829386 0.019538413 + 6500 100 1.2684644 1.2684644 0.63747702 0.020794729 + 6600 100 1.2704726 1.2704726 0.63929889 0.020253985 + 6700 100 1.2737302 1.2737302 0.63970688 0.020858602 + 6800 100 1.287922 1.287922 0.64460894 0.021589773 + 6900 100 1.3028782 1.3028782 0.65197802 0.02135295 + 7000 100 1.306633 1.306633 0.65371741 0.021291182 + 7100 100 1.3161393 1.3161393 0.65785404 0.022554896 + 7200 100 1.3228158 1.3228158 0.6609031 0.021811977 + 7300 100 1.3245632 1.3245632 0.66161966 0.02206776 + 7400 100 1.3266822 1.3266822 0.662738 0.022070761 + 7500 100 1.3265138 1.3265138 0.6624472 0.021944768 + 7600 100 1.3286802 1.3286802 0.66338775 0.0219393 + 7700 100 1.332829 1.332829 0.66547051 0.022142398 + 7800 100 1.3323535 1.3323535 0.66534513 0.022787777 + 7900 100 1.3372424 1.3372424 0.66777556 0.02192759 + 8000 100 1.3396201 1.3396201 0.66910123 0.022439596 + 8100 100 1.3422271 1.3422271 0.67060566 0.023784952 + 8200 100 1.3468062 1.3468062 0.6728991 0.02243345 + 8300 100 1.3439408 1.3439408 0.6717529 0.022312339 + 8400 100 1.3484134 1.3484134 0.67346027 0.022770922 + 8500 100 1.3490032 1.3490032 0.67378177 0.022427863 + 8600 100 1.349789 1.349789 0.67398897 0.022494049 + 8700 100 1.3513512 1.3513512 0.67475613 0.022413559 + 8800 100 1.3535168 1.3535168 0.67589784 0.022356566 + 8900 100 1.3505765 1.3505765 0.67442168 0.022240615 + 9000 100 1.3499918 1.3499918 0.67419831 0.02226049 + 9100 100 1.3518103 1.3518103 0.67489482 0.022399038 + 9200 100 1.3526275 1.3526275 0.67529852 0.022395079 + 9300 100 1.353741 1.353741 0.67585205 0.022471008 + 9400 100 1.3538758 1.3538758 0.67589523 0.022461734 + 9500 100 1.3537199 1.3537199 0.67586527 0.022370169 + 9600 100 1.3539788 1.3539788 0.67602899 0.022400771 + 9700 100 1.3544874 1.3544874 0.67619552 0.022648464 + 9800 100 1.3555422 1.3555422 0.67666186 0.022367319 + 9900 100 1.3560106 1.3560106 0.6768751 0.02236585 + 10000 100 1.3563578 1.3563578 0.6770434 0.022359307 +Loop time of 0.139615 on 4 procs for 5000 steps with 100 atoms + +Performance: 15471121.710 tau/day, 35812.782 timesteps/s, 3.581 Matom-step/s +89.9% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.0034672 | 0.011349 | 0.019511 | 7.2 | 8.13 +Neigh | 0.0032972 | 0.0053674 | 0.0074946 | 2.8 | 3.84 +Comm | 0.011049 | 0.018572 | 0.027876 | 5.6 | 13.30 +Output | 0.0010807 | 0.0015593 | 0.0018738 | 0.8 | 1.12 +Modify | 0.013556 | 0.040435 | 0.066715 | 13.0 | 28.96 +Other | | 0.06233 | | | 44.65 + +Nlocal: 25 ave 52 max 0 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Nghost: 3 ave 6 max 0 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Neighs: 48.25 ave 109 max 0 min +Histogram: 2 0 0 0 0 0 0 1 0 1 + +Total # of neighbors = 193 +Ave neighs/atom = 1.93 +Neighbor list builds = 626 +Dangerous builds = 0 + +region container delete +region container block -6 6 -6 6 -6 6 units box +run 5000 +Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 5.609 | 5.672 | 5.735 Mbytes + Step Atoms Temp c_1 c_2 Press + 10000 100 1.3563578 1.3563578 0.6770434 0.022433108 + 10100 100 0.32881547 0.32881547 0.18968913 0.0063460187 + 10200 100 0.19880113 0.19880113 0.12812646 0.0074601538 + 10300 100 0.12614062 0.12614062 0.090121373 0.0028337336 + 10400 100 0.088358363 0.088358363 0.067236815 0.0020269846 + 10500 100 0.071199344 0.071199344 0.055567135 0.0016191769 + 10600 100 0.053909616 0.053909616 0.042301996 0.00098643468 + 10700 100 0.039560745 0.039560745 0.032482256 0.00089240864 + 10800 100 0.032130432 0.032130432 0.02705329 0.00058669881 + 10900 100 0.02462494 0.02462494 0.021121496 0.0017376127 + 11000 100 0.020941068 0.020941068 0.017866781 0.00031112553 + 11100 100 0.016775675 0.016775675 0.014620214 0.00026856842 + 11200 100 0.015005732 0.015005732 0.012803923 0.00067036626 + 11300 100 0.012099209 0.012099209 0.010308221 0.00032666902 + 11400 100 0.010559421 0.010559421 0.0090243729 0.00013645685 + 11500 100 0.0093738615 0.0093738615 0.0080176514 0.00098541099 + 11600 100 0.0081900702 0.0081900702 0.0070256953 0.00025935992 + 11700 100 0.0068100165 0.0068100165 0.0058703223 0.00014866816 + 11800 100 0.0060475708 0.0060475708 0.0052518105 0.00017895168 + 11900 100 0.0055607485 0.0055607485 0.0047184164 0.00011358846 + 12000 100 0.0053149064 0.0053149064 0.0045168418 0.00015222428 + 12100 100 0.0050909525 0.0050909525 0.0043196952 6.3000537e-05 + 12200 100 0.0041810842 0.0041810842 0.0036835522 4.6423956e-05 + 12300 100 0.0034305227 0.0034305227 0.0031222649 0.00020251115 + 12400 100 0.0031763077 0.0031763077 0.0028956456 0.00030307787 + 12500 100 0.0027440829 0.0027440829 0.0025087304 0.00010418607 + 12600 100 0.0024581964 0.0024581964 0.0022200229 3.042018e-05 + 12700 100 0.002259527 0.002259527 0.0020708869 4.192368e-05 + 12800 100 0.0019143448 0.0019143448 0.0018088032 4.6200439e-05 + 12900 100 0.0017935964 0.0017935964 0.0017028317 2.2195756e-05 + 13000 100 0.0017286429 0.0017286429 0.0016396753 2.3108871e-05 + 13100 100 0.0017055291 0.0017055291 0.0016122058 2.2444611e-05 + 13200 100 0.0016539275 0.0016539275 0.0015570166 2.0467353e-05 + 13300 100 0.0015777788 0.0015777788 0.0014852505 1.9525012e-05 + 13400 100 0.0015372199 0.0015372199 0.0014497102 2.3203566e-05 + 13500 100 0.0015066638 0.0015066638 0.0014097203 1.8644964e-05 + 13600 100 0.0012290618 0.0012290618 0.0012056216 1.3235643e-05 + 13700 100 0.0011781948 0.0011781948 0.0011685226 3.4312262e-05 + 13800 100 0.0011530136 0.0011530136 0.0011433171 2.8832126e-05 + 13900 100 0.0011085224 0.0011085224 0.0011052764 1.444139e-05 + 14000 100 0.0010656788 0.0010656788 0.0010702461 1.3187775e-05 + 14100 100 0.001029277 0.001029277 0.0010469537 1.2837267e-05 + 14200 100 0.0009750904 0.0009750904 0.0009915384 1.209089e-05 + 14300 100 0.00094893337 0.00094893337 0.00096909301 1.1743051e-05 + 14400 100 0.00087708427 0.00087708427 0.00087575318 1.9027338e-05 + 14500 100 0.00086229913 0.00086229913 0.0008643568 1.0670952e-05 + 14600 100 0.00084206808 0.00084206808 0.0008268172 3.2391722e-05 + 14700 100 0.00077682873 0.00077682873 0.00077186085 9.6132555e-06 + 14800 100 0.00074736908 0.00074736908 0.00074958372 9.2486924e-06 + 14900 100 0.00074456847 0.00074456847 0.00074779946 9.2140349e-06 + 15000 100 0.00073830282 0.00073830282 0.0007426924 9.1364974e-06 +Loop time of 0.0808149 on 4 procs for 5000 steps with 100 atoms + +Performance: 26727738.394 tau/day, 61869.765 timesteps/s, 6.187 Matom-step/s +86.6% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.0034354 | 0.0050332 | 0.0069329 | 2.2 | 6.23 +Neigh | 0.00051999 | 0.00084906 | 0.0012075 | 0.0 | 1.05 +Comm | 0.0063631 | 0.014527 | 0.023754 | 6.8 | 17.98 +Output | 0.0010373 | 0.001342 | 0.001464 | 0.5 | 1.66 +Modify | 0.0051837 | 0.017338 | 0.031605 | 9.3 | 21.45 +Other | | 0.04173 | | | 51.63 + +Nlocal: 25 ave 53 max 0 min +Histogram: 2 0 0 0 0 0 0 0 1 1 +Nghost: 3.75 ave 8 max 0 min +Histogram: 2 0 0 0 0 0 0 0 1 1 +Neighs: 39.25 ave 82 max 0 min +Histogram: 2 0 0 0 0 0 0 0 0 2 + +Total # of neighbors = 157 +Ave neighs/atom = 1.57 +Neighbor list builds = 100 +Dangerous builds = 0 + +region container delete +variable theta equal (step-15000)*(4.0*PI/5000) +region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 1 1 1 +run 5000 +Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 5.609 | 5.672 | 5.735 Mbytes + Step Atoms Temp c_1 c_2 Press + 15000 100 0.00073830282 0.00073830282 0.0007426924 9.1364974e-06 + 15100 100 1.1048281 1.1048281 0.7023727 0.018379275 + 15200 100 1.2022249 1.2022249 0.77748962 0.015662439 + 15300 100 1.2561351 1.2561351 0.82563065 0.01835048 + 15400 100 1.4372446 1.4372446 0.92907923 0.02087065 + 15500 100 1.6414713 1.6414713 1.0284489 0.025654324 + 15600 100 1.7844655 1.7844655 1.0861866 0.025170346 + 15700 100 2.034248 2.034248 1.2017171 0.040341642 + 15800 100 2.1253699 2.1253699 1.2228657 0.029297194 + 15900 100 2.1940232 2.1940232 1.2470589 0.033866758 + 16000 100 2.2624419 2.2624419 1.2828225 0.030063645 + 16100 100 2.3208536 2.3208536 1.3118956 0.0323489 + 16200 100 2.3564971 2.3564971 1.3261173 0.032882494 + 16300 100 2.3956066 2.3956066 1.3260307 0.03292972 + 16400 100 2.5025831 2.5025831 1.3817693 0.031132988 + 16500 100 2.5947914 2.5947914 1.4152657 0.036126782 + 16600 100 2.7688769 2.7688769 1.4975686 0.037497127 + 16700 100 2.812503 2.812503 1.5216659 0.039316167 + 16800 100 2.8977424 2.8977424 1.5599254 0.039996029 + 16900 100 3.045802 3.045802 1.6332888 0.041406156 + 17000 100 3.2195366 3.2195366 1.7247171 0.040023634 + 17100 100 3.2597294 3.2597294 1.7527958 0.04828292 + 17200 100 3.293587 3.293587 1.7693254 0.044001441 + 17300 100 3.1861836 3.1861836 1.7142076 0.049158822 + 17400 100 3.4593561 3.4593561 1.8426619 0.053469673 + 17500 100 3.3813767 3.3813767 1.8079958 0.058776299 + 17600 100 3.5834203 3.5834203 1.9094759 0.053256842 + 17700 100 3.2243306 3.2243306 1.7425111 0.064354789 + 17800 100 3.358228 3.358228 1.8202932 0.046798524 + 17900 100 3.2257908 3.2257908 1.7678964 0.043655204 + 18000 100 3.237732 3.237732 1.7598181 0.050850672 + 18100 100 3.2042441 3.2042441 1.751979 0.045582006 + 18200 100 3.1562775 3.1562775 1.7336068 0.042210739 + 18300 100 3.2630507 3.2630507 1.7925333 0.046412778 + 18400 100 3.4150588 3.4150588 1.8668408 0.044386435 + 18500 100 3.4913198 3.4913198 1.9125495 0.043329829 + 18600 100 3.5290036 3.5290036 1.9184098 0.048302721 + 18700 100 3.4852698 3.4852698 1.8865833 0.059566124 + 18800 100 3.7157551 3.7157551 2.0082235 0.051356305 + 18900 100 3.9504619 3.9504619 2.1377018 0.051553987 + 19000 100 3.9711274 3.9711274 2.1549121 0.051555312 + 19100 100 3.90954 3.90954 2.1135174 0.0548311 + 19200 100 4.0672819 4.0672819 2.1837089 0.064431553 + 19300 100 3.998355 3.998355 2.1572884 0.056830399 + 19400 100 3.9172127 3.9172127 2.1130164 0.051264041 + 19500 100 3.9120291 3.9120291 2.1088399 0.052545115 + 19600 100 3.8613614 3.8613614 2.0752883 0.055466569 + 19700 100 3.8428824 3.8428824 2.0787804 0.05129261 + 19800 100 3.5686751 3.5686751 1.9356553 0.059177256 + 19900 100 3.5573788 3.5573788 1.9430183 0.054618794 + 20000 100 3.5453022 3.5453022 1.9413343 0.047640543 +Loop time of 0.13841 on 4 procs for 5000 steps with 100 atoms + +Performance: 15605800.739 tau/day, 36124.539 timesteps/s, 3.612 Matom-step/s +89.0% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.0047469 | 0.0062771 | 0.0080644 | 1.5 | 4.54 +Neigh | 0.0062517 | 0.0079248 | 0.0094271 | 1.3 | 5.73 +Comm | 0.047109 | 0.048595 | 0.050543 | 0.6 | 35.11 +Output | 0.0011807 | 0.0013428 | 0.0015517 | 0.4 | 0.97 +Modify | 0.022766 | 0.033256 | 0.039993 | 3.5 | 24.03 +Other | | 0.04101 | | | 29.63 + +Nlocal: 25 ave 36 max 13 min +Histogram: 1 0 0 0 1 0 1 0 0 1 +Nghost: 5 ave 9 max 2 min +Histogram: 1 0 1 0 1 0 0 0 0 1 +Neighs: 37.5 ave 53 max 15 min +Histogram: 1 0 0 0 0 1 0 1 0 1 + +Total # of neighbors = 150 +Ave neighs/atom = 1.5 +Neighbor list builds = 913 +Dangerous builds = 0 + +region container delete +region container block -6 6 -6 6 -6 6 units box +run 5000 +Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 5.734 | 5.735 | 5.735 Mbytes + Step Atoms Temp c_1 c_2 Press + 20000 100 3.5453022 3.5453022 1.9413343 0.047178052 + 20100 100 1.0878587 1.0878587 0.68666704 0.016139979 + 20200 100 1.0230655 1.0230655 0.63593494 0.014642345 + 20300 100 0.94958824 0.94958824 0.59306601 0.011745659 + 20400 100 0.93038108 0.93038108 0.57232527 0.01154829 + 20500 100 0.92183816 0.92183816 0.55466942 0.01212559 + 20600 100 1.0175846 1.0175846 0.59940035 0.013815361 + 20700 100 1.0564615 1.0564615 0.60726745 0.013073711 + 20800 100 0.99967869 0.99967869 0.57665019 0.012450813 + 20900 100 0.97051084 0.97051084 0.5574217 0.015686955 + 21000 100 0.639185 0.639185 0.37441942 0.017594616 + 21100 100 0.24979014 0.24979014 0.17121567 0.0084027295 + 21200 100 0.15147941 0.15147941 0.11124349 0.0030435746 + 21300 100 0.13117502 0.13117502 0.091432638 0.0029110318 + 21400 100 0.11158272 0.11158272 0.076264692 0.0021951204 + 21500 100 0.056660993 0.056660993 0.043503807 0.0010993096 + 21600 100 0.028640836 0.028640836 0.026000267 0.0010440792 + 21700 100 0.025816483 0.025816483 0.021922896 0.00081674646 + 21800 100 0.023929555 0.023929555 0.019936972 0.0010383614 + 21900 100 0.022271339 0.022271339 0.017947505 0.0014630387 + 22000 100 0.019277834 0.019277834 0.015483116 0.00058751407 + 22100 100 0.019997809 0.019997809 0.015919504 0.00064176101 + 22200 100 0.015870543 0.015870543 0.01244838 0.0004205505 + 22300 100 0.011797587 0.011797587 0.0096491363 0.00034907063 + 22400 100 0.010745212 0.010745212 0.008874218 0.00035427537 + 22500 100 0.0082372399 0.0082372399 0.0071217811 0.00028179943 + 22600 100 0.007942576 0.007942576 0.0067248822 0.001507115 + 22700 100 0.0061733667 0.0061733667 0.0053092324 0.00056018554 + 22800 100 0.0058287651 0.0058287651 0.004972189 0.00023807695 + 22900 100 0.0051352339 0.0051352339 0.004324157 0.00020849263 + 23000 100 0.0040107769 0.0040107769 0.0035769703 0.00022626101 + 23100 100 0.0040288854 0.0040288854 0.0034355474 0.00019107621 + 23200 100 0.003277858 0.003277858 0.0030013165 0.00016119888 + 23300 100 0.0033633749 0.0033633749 0.0030188927 0.00014459404 + 23400 100 0.003468042 0.003468042 0.0030079205 0.00013778427 + 23500 100 0.0027616702 0.0027616702 0.0024994596 0.00011834915 + 23600 100 0.0022531303 0.0022531303 0.0021182802 0.0002279623 + 23700 100 0.002067768 0.002067768 0.0019631752 0.00014341503 + 23800 100 0.0020069255 0.0020069255 0.0019209587 0.00010673435 + 23900 100 0.0019630617 0.0019630617 0.0018748221 0.00011856923 + 24000 100 0.0018800646 0.0018800646 0.0018190347 0.00010707562 + 24100 100 0.0018028137 0.0018028137 0.0017067233 0.00010884117 + 24200 100 0.0017278932 0.0017278932 0.0016251004 0.00013664683 + 24300 100 0.0016373288 0.0016373288 0.0015529481 0.00010025414 + 24400 100 0.0019876848 0.0019876848 0.0016912033 0.00011235942 + 24500 100 0.0013677345 0.0013677345 0.0012839488 7.8669645e-05 + 24600 100 0.0012852614 0.0012852614 0.0012065052 0.00010172361 + 24700 100 0.0011145002 0.0011145002 0.0010748344 7.5021689e-05 + 24800 100 0.0012860792 0.0012860792 0.0011429675 5.7939624e-05 + 24900 100 0.00097198499 0.00097198499 0.00096175911 5.443837e-05 + 25000 100 0.00096224466 0.00096224466 0.00095159089 5.4245409e-05 +Loop time of 0.0846408 on 4 procs for 5000 steps with 100 atoms + +Performance: 25519602.289 tau/day, 59073.153 timesteps/s, 5.907 Matom-step/s +82.3% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.0035473 | 0.0055294 | 0.0082454 | 2.7 | 6.53 +Neigh | 0.0016391 | 0.0022521 | 0.0028115 | 1.1 | 2.66 +Comm | 0.014697 | 0.021565 | 0.029045 | 4.1 | 25.48 +Output | 0.0010785 | 0.00132 | 0.0014171 | 0.4 | 1.56 +Modify | 0.0059648 | 0.01618 | 0.027615 | 7.9 | 19.12 +Other | | 0.03779 | | | 44.65 + +Nlocal: 25 ave 56 max 0 min +Histogram: 2 0 0 0 0 0 0 1 0 1 +Nghost: 5.5 ave 12 max 0 min +Histogram: 2 0 0 0 0 0 0 0 1 1 +Neighs: 40 ave 101 max 0 min +Histogram: 2 0 0 0 0 1 0 0 0 1 + +Total # of neighbors = 160 +Ave neighs/atom = 1.6 +Neighbor list builds = 275 +Dangerous builds = 0 +Total wall time: 0:00:00 diff --git a/examples/granregion/log.15Sep22.granregion.funnel.g++.1 b/examples/granregion/log.15Sep22.granregion.funnel.g++.1 new file mode 100644 index 0000000000..fc60ca4928 --- /dev/null +++ b/examples/granregion/log.15Sep22.granregion.funnel.g++.1 @@ -0,0 +1,633 @@ +LAMMPS (15 Sep 2022) +# pour particles into cone-shaped funnel, settle them, let them run out bottom + +variable name string funnel_pour + +thermo_modify flush yes +units si +variable PI equal 3.141592653589 +variable seed equal 14314 + +############################################### +# Geometry-related parameters +############################################### + +variable xlo equal 10 +variable xhi equal 40 +variable ylo equal 10 +variable yhi equal 40 +variable zlo equal -20 +variable zhi equal 50 + +variable xc equal 25 +variable yc equal 25 + +variable zconehi equal 50 +variable zconelo equal 10 +variable zcyllo equal 0 +variable radconelo equal 2 +variable radconehi equal 20 + +################################################ +# Particle sizes +################################################ + +variable rlo equal 0.25 +variable rhi equal 0.5 +variable dlo equal 2.0*${rlo} +variable dlo equal 2.0*0.25 +variable dhi equal 2.0*${rhi} +variable dhi equal 2.0*0.5 + +variable skin equal ${rhi} +variable skin equal 0.5 + +############################################### +# Granular contact parameters +############################################### + +variable coeffRes equal 0.1 +variable coeffFric equal 0.5 + +variable density equal 1.0 +variable EYoung equal 10^5 +variable Poisson equal 2.0/7.0 +variable GShear equal ${EYoung}/(2*(1+${Poisson})) +variable GShear equal 100000/(2*(1+${Poisson})) +variable GShear equal 100000/(2*(1+0.285714285714286)) + +variable gravity equal 1.0 + +variable reff equal 0.5*(${rhi}+${rlo}) +variable reff equal 0.5*(0.5+${rlo}) +variable reff equal 0.5*(0.5+0.25) +variable meff equal ${density}*4.0/3.0*${PI}*${reff}^3 +variable meff equal 1*4.0/3.0*${PI}*${reff}^3 +variable meff equal 1*4.0/3.0*3.141592653589*${reff}^3 +variable meff equal 1*4.0/3.0*3.141592653589*0.375^3 +variable min_mass equal ${density}*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo} +variable min_mass equal 1*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo} +variable min_mass equal 1*4.0/3.0*3.141592653589*${rlo}*${rlo}*${rlo} +variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*${rlo}*${rlo} +variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*${rlo} +variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*0.25 +variable max_mass equal ${density}*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi} +variable max_mass equal 1*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi} +variable max_mass equal 1*4.0/3.0*3.141592653589*${rhi}*${rhi}*${rhi} +variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*${rhi}*${rhi} +variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*${rhi} +variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*0.5 + +## Typical way to set kn, kt, etc.: +variable kn equal 4.0*${GShear}/(3*(1-${Poisson})) +variable kn equal 4.0*38888.8888888889/(3*(1-${Poisson})) +variable kn equal 4.0*38888.8888888889/(3*(1-0.285714285714286)) +variable kt equal 4.0*${GShear}/(2-${Poisson}) +variable kt equal 4.0*38888.8888888889/(2-${Poisson}) +variable kt equal 4.0*38888.8888888889/(2-0.285714285714286) + +variable a equal (-2.0*log(${coeffRes})/${PI})^2 +variable a equal (-2.0*log(0.1)/${PI})^2 +variable a equal (-2.0*log(0.1)/3.141592653589)^2 +variable gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a)) +variable gamma_n equal sqrt(0.405284734569556*2*${kn}/${min_mass}/(1+0.25*$a)) +variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/${min_mass}/(1+0.25*$a)) +variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*$a)) +variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*0.405284734569556)) +variable gamma_t equal ${gamma_n}*0.5 +variable gamma_t equal 903.503751814138*0.5 + +variable tcol equal ${PI}/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0) +variable tcol equal 3.141592653589/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0) +variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/${min_mass}-${gamma_n}/4.0) +variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-${gamma_n}/4.0) +variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-903.503751814138/4.0) + +variable dt equal ${tcol}*0.05 +variable dt equal 0.00210943016014969*0.05 +timestep ${dt} +timestep 0.000105471508007485 + +############################################### +variable dumpfreq equal 1000 +variable logfreq equal 1000 + +newton off +atom_style sphere + +boundary p p f + +region boxreg block ${xlo} ${xhi} ${ylo} ${yhi} ${zlo} ${zhi} +region boxreg block 10 ${xhi} ${ylo} ${yhi} ${zlo} ${zhi} +region boxreg block 10 40 ${ylo} ${yhi} ${zlo} ${zhi} +region boxreg block 10 40 10 ${yhi} ${zlo} ${zhi} +region boxreg block 10 40 10 40 ${zlo} ${zhi} +region boxreg block 10 40 10 40 -20 ${zhi} +region boxreg block 10 40 10 40 -20 50 +create_box 1 boxreg +Created orthogonal box = (10 10 -20) to (40 40 50) + 1 by 1 by 1 MPI processor grid + +pair_style gran/hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 +pair_style gran/hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 +pair_style gran/hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 +pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 +pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 +pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 +pair_coeff * * + +neighbor ${skin} multi +neighbor 0.5 multi +thermo ${logfreq} +thermo 1000 + +comm_style brick +comm_modify mode multi group all vel yes +balance 1.1 shift xyz 20 1.1 +Balancing ... +Generated 0 of 0 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 = 0 + ghost atom cutoff = 0 + binsize = 30, bins = 1 1 3 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair gran/hertz/history, perpetual + attributes: half, newton off, size, history + pair build: half/size/multi/newtoff + stencil: full/multi/3d + bin: multi +WARNING: Communication cutoff is 0.0. No ghost atoms will be generated. Atoms may get lost. (../comm_brick.cpp:210) +fix bal all balance 10000 1.1 shift xyz 20 1.01 + +####################### Options specific to pouring ######################### + +# insertion region for fix/pour + +region insreg cylinder z ${xc} ${yc} 10 30 50 side in units box +region insreg cylinder z 25 ${yc} 10 30 50 side in units box +region insreg cylinder z 25 25 10 30 50 side in units box + +# define cone and cylinder regions - see lammps doc on region command +# note new open options + +region cylreg cylinder z ${xc} ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 2 #Top is open +region cylreg cylinder z 25 ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 2 +region cylreg cylinder z 25 25 ${radconelo} ${zcyllo} ${zconelo} side in units box open 2 +region cylreg cylinder z 25 25 2 ${zcyllo} ${zconelo} side in units box open 2 +region cylreg cylinder z 25 25 2 0 ${zconelo} side in units box open 2 +region cylreg cylinder z 25 25 2 0 10 side in units box open 2 + +region conereg cone z ${xc} ${yc} ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 #Bottom and top are open +region conereg cone z 25 ${yc} ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 +region conereg cone z 25 25 ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 +region conereg cone z 25 25 2 ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 +region conereg cone z 25 25 2 20 ${zconelo} ${zconehi} side in units box open 1 open 2 +region conereg cone z 25 25 2 20 10 ${zconehi} side in units box open 1 open 2 +region conereg cone z 25 25 2 20 10 50 side in units box open 1 open 2 + +region hopreg union 2 conereg cylreg + +fix grav all gravity ${gravity} vector 0 0 -1 +fix grav all gravity 1 vector 0 0 -1 +fix 1 all nve/sphere + + +fix hopper3 all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg + +fix ins all pour 2000 1 42424 region insreg diam range ${dlo} ${dhi} dens ${density} ${density} +fix ins all pour 2000 1 42424 region insreg diam range 0.5 ${dhi} dens ${density} ${density} +fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens ${density} ${density} +fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens 1 ${density} +fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens 1 1 +Particle insertion: 3000 every 59965 steps, 2000 by step 1 + +#dump 1 all custom ${dumpfreq} ${name}.dump # id type mass diameter x y z + +#dump 2 all image 4000 image.*.jpg type type # axes yes 0.8 0.02 view 60 -30 zoom 3.0 # box no 0.0 axes no 0.0 0.0 +#dump_modify 2 pad 6 + +thermo_style custom step cpu atoms ke +WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:896) +thermo_modify flush yes lost warn + +# Initial run to fill up the cone + +run 20000 + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + +Your simulation uses code contributions which should be cited: + +- neighbor multi command: doi:10.1016/j.cpc.2008.03.005, doi:10.1007/s40571-020-00361-2 + +@Article{Intveld08, + author = {in 't Veld, P. J. and S. J.~Plimpton and G. S. Grest}, + title = {Accurate and Efficient Methods for Modeling Colloidal + Mixtures in an Explicit Solvent using Molecular Dynamics}, + journal = {Comput.\ Phys.\ Commut.}, + year = 2008, + volume = 179, + pages = {320--329} +} + +@article{Shire2020, + author = {Shire, Tom and Hanley, Kevin J. and Stratford, Kevin}, + title = {{DEM} Simulations of Polydisperse Media: Efficient Contact + Detection Applied to Investigate the Quasi-Static Limit}, + journal = {Computational Particle Mechanics}, + year = {2020} +} + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + +Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 6.648 | 6.648 | 6.648 Mbytes + Step CPU Atoms KinEng + 0 0 0 -0 + 1000 0.39961733 2000 -0 + 2000 0.61811961 2000 -0 + 3000 0.83512725 2000 -0 + 4000 1.0492881 2000 -0 + 5000 1.2650657 2000 -0 + 6000 1.479921 2000 -0 + 7000 1.6970993 2000 -0 + 8000 1.9107924 2000 -0 + 9000 2.1251713 2000 -0 + 10000 2.3403682 2000 -0 + 11000 2.549912 2000 -0 + 12000 2.7584788 2000 -0 + 13000 2.9712482 2000 -0 + 14000 3.1877015 2000 -0 + 15000 3.4017175 2000 -0 + 16000 3.6127477 2000 -0 + 17000 3.8250134 2000 -0 + 18000 4.0320643 2000 -0 + 19000 4.2371057 2000 -0 + 20000 4.4450882 2000 -0 +Loop time of 4.44512 on 1 procs for 20000 steps with 2000 atoms + +98.7% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.40438 | 0.40438 | 0.40438 | 0.0 | 9.10 +Neigh | 0.078634 | 0.078634 | 0.078634 | 0.0 | 1.77 +Comm | 0.01999 | 0.01999 | 0.01999 | 0.0 | 0.45 +Output | 0.00069031 | 0.00069031 | 0.00069031 | 0.0 | 0.02 +Modify | 3.795 | 3.795 | 3.795 | 0.0 | 85.38 +Other | | 0.1464 | | | 3.29 + +Nlocal: 2000 ave 2000 max 2000 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: 1607 ave 1607 max 1607 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 1607 +Ave neighs/atom = 0.8035 +Neighbor list builds = 71 +Dangerous builds = 0 +unfix ins +run 150000 +Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 12.69 | 12.69 | 12.69 Mbytes + Step CPU Atoms KinEng + 20000 0 2000 6652.2957 + 21000 0.2135317 2000 6807.2201 + 22000 0.4235523 2000 6973.9359 + 23000 0.63502794 2000 7142.3648 + 24000 0.84593615 2000 7276.9717 + 25000 1.0580291 2000 7369.4191 + 26000 1.2719892 2000 7497.6526 + 27000 1.4843056 2000 7638.946 + 28000 1.9685336 2000 7780.0339 + 29000 2.1850097 2000 7881.8177 + 30000 2.4033006 2000 7967.2641 + 31000 2.6219694 2000 7994.9273 + 32000 2.8455468 2000 7937.0671 + 33000 3.0720066 2000 7774.0508 + 34000 3.3070513 2000 7591.1491 + 35000 3.5468777 2000 7357.5176 + 36000 3.7908265 2000 7147.2024 + 37000 4.0388657 2000 6979.1604 + 38000 4.2873223 2000 6813.2152 + 39000 4.5424244 2000 6660.2701 + 40000 4.8055367 2000 6502.8957 + 41000 5.0754561 2000 6324.3951 + 42000 5.3564118 2000 6132.7516 + 43000 5.6357256 2000 5913.1841 + 44000 5.9130645 2000 5732.2095 + 45000 6.1943539 2000 5508.8322 + 46000 6.4862302 2000 5306.8932 + 47000 6.7796417 2000 5152.0521 + 48000 7.0750069 2000 5028.2274 + 49000 7.3705252 2000 4896.102 + 50000 7.6693894 2000 4723.5189 + 51000 7.9685182 2000 4583.7526 + 52000 8.2774033 2000 4447.0187 + 53000 8.591482 2000 4303.2307 + 54000 8.9156439 2000 4168.5251 + 55000 9.2437364 2000 4036.9704 + 56000 9.5745684 2000 3901.1183 + 57000 9.9173689 2000 3716.7071 + 58000 10.270229 2000 3473.5422 + 59000 10.629101 2000 3245.1223 + 60000 10.989479 2000 3039.7845 + 61000 11.349843 2000 2780.0187 + 62000 11.716916 2000 2577.3345 + 63000 12.093666 2000 2346.2488 + 64000 12.474788 2000 2116.7298 + 65000 12.861438 2000 1903.7828 + 66000 13.25464 2000 1631.1676 + 67000 13.658382 2000 1431.0198 + 68000 14.067584 2000 1212.875 + 69000 14.480877 2000 995.45046 + 70000 14.894765 2000 811.54766 + 71000 15.309158 2000 624.08622 + 72000 15.732937 2000 471.00862 + 73000 16.158388 2000 358.33486 + 74000 16.583847 2000 284.39416 + 75000 17.008335 2000 234.26671 + 76000 17.429582 2000 185.61836 + 77000 17.852799 2000 152.95918 + 78000 18.276783 2000 122.49023 + 79000 18.697016 2000 102.29396 + 80000 19.12318 2000 86.284684 + 81000 19.54992 2000 73.984781 + 82000 19.986149 2000 63.042918 + 83000 20.430305 2000 53.338428 + 84000 20.876061 2000 45.89585 + 85000 21.32714 2000 40.412826 + 86000 21.781352 2000 34.183381 + 87000 22.238656 2000 29.671524 + 88000 22.698093 2000 26.90414 + 89000 23.160614 2000 24.362631 + 90000 23.630639 2000 21.887341 + 91000 24.095463 2000 19.985662 + 92000 24.570659 2000 18.728162 + 93000 25.047431 2000 16.99941 + 94000 25.549041 2000 15.71941 + 95000 26.03281 2000 14.744057 + 96000 26.513659 2000 14.214918 + 97000 26.998918 2000 13.450182 + 98000 27.486584 2000 12.79222 + 99000 27.986785 2000 12.10595 + 100000 28.48799 2000 11.281863 + 101000 28.986622 2000 10.025419 + 102000 29.491312 2000 9.9574468 + 103000 29.999421 2000 9.4078117 + 104000 30.507211 2000 8.9079161 + 105000 31.016484 2000 8.6269302 + 106000 31.527511 2000 8.5512649 + 107000 32.042612 2000 8.4703948 + 108000 32.555041 2000 8.2747542 + 109000 33.07064 2000 8.2895118 + 110000 33.593773 2000 8.1785613 + 111000 34.107129 2000 7.8443234 + 112000 34.619185 2000 7.7436124 + 113000 35.13418 2000 7.8118604 + 114000 35.653352 2000 7.3806177 + 115000 36.179577 2000 7.0857235 + 116000 36.69882 2000 7.1346752 + 117000 37.224612 2000 7.0653751 + 118000 37.756738 2000 6.6314104 + 119000 38.283151 2000 6.2169614 + 120000 38.808288 2000 5.8988829 + 121000 39.334913 2000 5.4197277 + 122000 39.862081 2000 4.6381303 + 123000 40.390252 2000 4.4949206 + 124000 40.920744 2000 4.4261118 + 125000 41.4469 2000 4.4223703 + 126000 41.977937 2000 4.4858898 + 127000 42.51483 2000 4.3312536 + 128000 43.046324 2000 3.7124973 + 129000 43.573687 2000 3.5467396 + 130000 44.103102 2000 3.5104139 + 131000 44.629869 2000 3.5725612 + 132000 45.156621 2000 3.669455 + 133000 45.69364 2000 3.6168912 + 134000 46.23133 2000 3.3598517 + 135000 46.765487 2000 3.3743407 + 136000 47.323693 2000 3.1109764 + 137000 47.881617 2000 3.0720146 + 138000 48.439179 2000 3.1303776 + 139000 49.001417 2000 3.2052806 + 140000 49.558061 2000 2.8958882 + 141000 50.097789 2000 2.9931572 + 142000 50.636089 2000 3.0967832 + 143000 51.175873 2000 3.0576365 + 144000 51.706799 2000 3.2016943 + 145000 52.239356 2000 3.3817709 + 146000 52.769944 2000 3.4527239 + 147000 53.30872 2000 3.5928733 + 148000 53.847762 2000 3.7784682 + 149000 54.387455 2000 3.6587944 + 150000 54.931594 2000 3.7945669 + 151000 55.470076 2000 3.5551557 + 152000 56.01448 2000 3.6248848 + 153000 56.552259 2000 3.7361463 + 154000 57.092655 2000 3.8534319 + 155000 57.635767 2000 4.0101408 + 156000 58.180249 2000 3.7670652 + 157000 58.724032 2000 3.1487676 + 158000 59.262015 2000 2.980076 + 159000 59.794312 2000 3.0350592 + 160000 60.331617 2000 3.125389 + 161000 60.861827 2000 2.7516115 + 162000 61.396691 2000 2.413911 + 163000 61.930145 2000 2.297713 + 164000 62.466983 2000 2.3190806 + 165000 63.00535 2000 2.2868879 + 166000 63.546881 2000 2.1658547 + 167000 64.091461 2000 1.7511071 + 168000 64.63141 2000 1.4112478 + 169000 65.17459 2000 1.3623558 + 170000 65.719571 2000 1.3701579 +Loop time of 65.7196 on 1 procs for 150000 steps with 2000 atoms + +98.9% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 32.424 | 32.424 | 32.424 | 0.0 | 49.34 +Neigh | 0.65326 | 0.65326 | 0.65326 | 0.0 | 0.99 +Comm | 0.14207 | 0.14207 | 0.14207 | 0.0 | 0.22 +Output | 0.26326 | 0.26326 | 0.26326 | 0.0 | 0.40 +Modify | 31.109 | 31.109 | 31.109 | 0.0 | 47.34 +Other | | 1.128 | | | 1.72 + +Nlocal: 2000 ave 2000 max 2000 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: 15308 ave 15308 max 15308 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 15308 +Ave neighs/atom = 7.654 +Neighbor list builds = 367 +Dangerous builds = 0 + +# remove "plug" - need to redefine cylinder region & union + +region cylreg delete +region hopreg delete +region cylreg cylinder z ${xc} ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2 #Bottom & top are open +region cylreg cylinder z 25 ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2 +region cylreg cylinder z 25 25 ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2 +region cylreg cylinder z 25 25 2 ${zcyllo} ${zconelo} side in units box open 1 open 2 +region cylreg cylinder z 25 25 2 0 ${zconelo} side in units box open 1 open 2 +region cylreg cylinder z 25 25 2 0 10 side in units box open 1 open 2 + +region hopreg union 2 cylreg conereg + +unfix hopper3 +fix hopper3 all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg + +run 100000 +Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 12.69 | 12.69 | 12.69 Mbytes + Step CPU Atoms KinEng + 170000 0 2000 1.3701579 + 171000 0.54961146 2000 2.3724823 + 172000 1.0905775 2000 3.5881441 + 173000 1.6190656 2000 5.3771633 + 174000 2.1428619 2000 7.5896471 + 175000 2.6623327 2000 10.77251 + 176000 3.1738773 2000 14.806868 + 177000 3.6751053 2000 19.607624 + 178000 4.17465 2000 25.426227 + 179000 4.6736143 2000 32.23584 + 180000 5.1769137 2000 39.930468 + 181000 5.6766809 2000 47.686304 + 182000 6.1722504 2000 56.506806 + 183000 6.6603586 2000 66.514326 + 184000 7.1473381 2000 77.554644 + 185000 7.6343824 2000 89.224002 + 186000 8.1170225 2000 102.07846 + 187000 8.598305 2000 116.08141 + 188000 9.0708108 2000 130.97964 + 189000 9.5435695 2000 146.77806 + 190000 10.015069 2000 162.79858 + 191000 10.480992 2000 179.02052 + 192000 10.941896 2000 196.26683 + 193000 11.398748 2000 214.38928 + 194000 11.856098 2000 232.32068 + 195000 12.314324 2000 251.74644 + 196000 12.765746 2000 272.25231 + 197000 13.216453 2000 294.64075 + 198000 13.663698 2000 318.32895 + 199000 14.109901 2000 342.44005 + 200000 14.560399 2000 368.35469 + 201000 15.008158 2000 395.2465 + 202000 15.460487 2000 422.63599 + 203000 15.913115 2000 450.45248 + 204000 16.363656 2000 479.60812 + 205000 16.816929 2000 510.44155 + 206000 17.265488 2000 543.25751 + 207000 17.707782 2000 577.35928 + 208000 18.151051 2000 612.29718 + 209000 18.588363 2000 647.8951 + 210000 19.027167 2000 683.79409 + 211000 19.463213 2000 720.36556 + 212000 19.901783 2000 759.27331 + 213000 20.340436 2000 798.27302 + 214000 20.775782 2000 837.93849 + 215000 21.207465 2000 877.92945 + 216000 21.641572 2000 919.62532 + 217000 22.077351 2000 962.83509 + 218000 22.517089 2000 1008.5243 + 219000 22.948683 2000 1054.5769 + 220000 23.381029 2000 1103.1843 + 221000 23.809214 2000 1153.0349 + 222000 24.246127 2000 1204.5599 + 223000 24.677676 2000 1257.1367 + 224000 25.113989 2000 1308.6735 +WARNING: Lost atoms: original 2000 current 1999 (../thermo.cpp:486) + 225000 25.549621 1999 1360.1205 + 226000 25.977155 1998 1404.8405 + 227000 26.406475 1996 1448.4869 + 228000 26.832152 1992 1491.8112 + 229000 27.25327 1985 1518.7013 + 230000 27.672907 1971 1507.6699 + 231000 28.086761 1965 1533.5096 + 232000 28.500134 1948 1489.4128 + 233000 28.912212 1933 1477.4536 + 234000 29.320197 1915 1425.8398 + 235000 29.723669 1904 1410.1451 + 236000 30.124339 1892 1401.7595 + 237000 30.523539 1880 1368.893 + 238000 30.919483 1868 1341.8885 + 239000 31.313194 1850 1286.7968 + 240000 31.711659 1833 1219.5123 + 241000 32.106468 1820 1173.3608 + 242000 32.505486 1806 1106.0727 + 243000 32.905579 1788 1035.912 + 244000 33.303155 1779 1021.6147 + 245000 33.696614 1767 969.40032 + 246000 34.083545 1757 939.12022 + 247000 34.472486 1739 840.9396 + 248000 34.858907 1730 822.06575 + 249000 35.248061 1719 762.11057 + 250000 35.639608 1707 708.50308 + 251000 36.029812 1700 692.12647 + 252000 36.428881 1697 694.5812 + 253000 36.821304 1686 652.36951 + 254000 37.203008 1682 662.95256 + 255000 37.576678 1677 637.34619 + 256000 37.952398 1672 630.71277 + 257000 38.336834 1669 641.87365 + 258000 38.719421 1665 635.862 + 259000 39.104236 1664 658.5339 + 260000 39.484223 1662 669.95468 + 261000 39.861203 1660 676.93495 + 262000 40.240183 1657 681.72646 + 263000 40.614974 1655 687.4078 + 264000 40.99447 1651 681.61352 + 265000 41.368018 1647 673.20622 + 266000 41.740288 1644 677.30073 + 267000 42.111704 1641 671.05897 + 268000 42.479868 1639 689.55776 + 269000 42.851008 1637 711.98809 + 270000 43.22438 1633 705.29974 +Loop time of 43.2244 on 1 procs for 100000 steps with 1633 atoms + +99.2% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 22.312 | 22.312 | 22.312 | 0.0 | 51.62 +Neigh | 0.47451 | 0.47451 | 0.47451 | 0.0 | 1.10 +Comm | 0.093822 | 0.093822 | 0.093822 | 0.0 | 0.22 +Output | 0.0028326 | 0.0028326 | 0.0028326 | 0.0 | 0.01 +Modify | 19.626 | 19.626 | 19.626 | 0.0 | 45.40 +Other | | 0.7152 | | | 1.65 + +Nlocal: 1633 ave 1633 max 1633 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: 11358 ave 11358 max 11358 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 11358 +Ave neighs/atom = 6.955297 +Neighbor list builds = 244 +Dangerous builds = 0 +Total wall time: 0:01:53 diff --git a/examples/granregion/log.15Sep22.granregion.funnel.g++.4 b/examples/granregion/log.15Sep22.granregion.funnel.g++.4 new file mode 100644 index 0000000000..3c18217deb --- /dev/null +++ b/examples/granregion/log.15Sep22.granregion.funnel.g++.4 @@ -0,0 +1,633 @@ +LAMMPS (15 Sep 2022) +# pour particles into cone-shaped funnel, settle them, let them run out bottom + +variable name string funnel_pour + +thermo_modify flush yes +units si +variable PI equal 3.141592653589 +variable seed equal 14314 + +############################################### +# Geometry-related parameters +############################################### + +variable xlo equal 10 +variable xhi equal 40 +variable ylo equal 10 +variable yhi equal 40 +variable zlo equal -20 +variable zhi equal 50 + +variable xc equal 25 +variable yc equal 25 + +variable zconehi equal 50 +variable zconelo equal 10 +variable zcyllo equal 0 +variable radconelo equal 2 +variable radconehi equal 20 + +################################################ +# Particle sizes +################################################ + +variable rlo equal 0.25 +variable rhi equal 0.5 +variable dlo equal 2.0*${rlo} +variable dlo equal 2.0*0.25 +variable dhi equal 2.0*${rhi} +variable dhi equal 2.0*0.5 + +variable skin equal ${rhi} +variable skin equal 0.5 + +############################################### +# Granular contact parameters +############################################### + +variable coeffRes equal 0.1 +variable coeffFric equal 0.5 + +variable density equal 1.0 +variable EYoung equal 10^5 +variable Poisson equal 2.0/7.0 +variable GShear equal ${EYoung}/(2*(1+${Poisson})) +variable GShear equal 100000/(2*(1+${Poisson})) +variable GShear equal 100000/(2*(1+0.285714285714286)) + +variable gravity equal 1.0 + +variable reff equal 0.5*(${rhi}+${rlo}) +variable reff equal 0.5*(0.5+${rlo}) +variable reff equal 0.5*(0.5+0.25) +variable meff equal ${density}*4.0/3.0*${PI}*${reff}^3 +variable meff equal 1*4.0/3.0*${PI}*${reff}^3 +variable meff equal 1*4.0/3.0*3.141592653589*${reff}^3 +variable meff equal 1*4.0/3.0*3.141592653589*0.375^3 +variable min_mass equal ${density}*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo} +variable min_mass equal 1*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo} +variable min_mass equal 1*4.0/3.0*3.141592653589*${rlo}*${rlo}*${rlo} +variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*${rlo}*${rlo} +variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*${rlo} +variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*0.25 +variable max_mass equal ${density}*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi} +variable max_mass equal 1*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi} +variable max_mass equal 1*4.0/3.0*3.141592653589*${rhi}*${rhi}*${rhi} +variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*${rhi}*${rhi} +variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*${rhi} +variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*0.5 + +## Typical way to set kn, kt, etc.: +variable kn equal 4.0*${GShear}/(3*(1-${Poisson})) +variable kn equal 4.0*38888.8888888889/(3*(1-${Poisson})) +variable kn equal 4.0*38888.8888888889/(3*(1-0.285714285714286)) +variable kt equal 4.0*${GShear}/(2-${Poisson}) +variable kt equal 4.0*38888.8888888889/(2-${Poisson}) +variable kt equal 4.0*38888.8888888889/(2-0.285714285714286) + +variable a equal (-2.0*log(${coeffRes})/${PI})^2 +variable a equal (-2.0*log(0.1)/${PI})^2 +variable a equal (-2.0*log(0.1)/3.141592653589)^2 +variable gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a)) +variable gamma_n equal sqrt(0.405284734569556*2*${kn}/${min_mass}/(1+0.25*$a)) +variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/${min_mass}/(1+0.25*$a)) +variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*$a)) +variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*0.405284734569556)) +variable gamma_t equal ${gamma_n}*0.5 +variable gamma_t equal 903.503751814138*0.5 + +variable tcol equal ${PI}/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0) +variable tcol equal 3.141592653589/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0) +variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/${min_mass}-${gamma_n}/4.0) +variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-${gamma_n}/4.0) +variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-903.503751814138/4.0) + +variable dt equal ${tcol}*0.05 +variable dt equal 0.00210943016014969*0.05 +timestep ${dt} +timestep 0.000105471508007485 + +############################################### +variable dumpfreq equal 1000 +variable logfreq equal 1000 + +newton off +atom_style sphere + +boundary p p f + +region boxreg block ${xlo} ${xhi} ${ylo} ${yhi} ${zlo} ${zhi} +region boxreg block 10 ${xhi} ${ylo} ${yhi} ${zlo} ${zhi} +region boxreg block 10 40 ${ylo} ${yhi} ${zlo} ${zhi} +region boxreg block 10 40 10 ${yhi} ${zlo} ${zhi} +region boxreg block 10 40 10 40 ${zlo} ${zhi} +region boxreg block 10 40 10 40 -20 ${zhi} +region boxreg block 10 40 10 40 -20 50 +create_box 1 boxreg +Created orthogonal box = (10 10 -20) to (40 40 50) + 1 by 1 by 4 MPI processor grid + +pair_style gran/hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 +pair_style gran/hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 +pair_style gran/hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 +pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 +pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 +pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 +pair_coeff * * + +neighbor ${skin} multi +neighbor 0.5 multi +thermo ${logfreq} +thermo 1000 + +comm_style brick +comm_modify mode multi group all vel yes +balance 1.1 shift xyz 20 1.1 +Balancing ... +Generated 0 of 0 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 = 0 + ghost atom cutoff = 0 + binsize = 30, bins = 1 1 3 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair gran/hertz/history, perpetual + attributes: half, newton off, size, history + pair build: half/size/multi/newtoff + stencil: full/multi/3d + bin: multi +WARNING: Communication cutoff is 0.0. No ghost atoms will be generated. Atoms may get lost. (../comm_brick.cpp:210) +fix bal all balance 10000 1.1 shift xyz 20 1.01 + +####################### Options specific to pouring ######################### + +# insertion region for fix/pour + +region insreg cylinder z ${xc} ${yc} 10 30 50 side in units box +region insreg cylinder z 25 ${yc} 10 30 50 side in units box +region insreg cylinder z 25 25 10 30 50 side in units box + +# define cone and cylinder regions - see lammps doc on region command +# note new open options + +region cylreg cylinder z ${xc} ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 2 #Top is open +region cylreg cylinder z 25 ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 2 +region cylreg cylinder z 25 25 ${radconelo} ${zcyllo} ${zconelo} side in units box open 2 +region cylreg cylinder z 25 25 2 ${zcyllo} ${zconelo} side in units box open 2 +region cylreg cylinder z 25 25 2 0 ${zconelo} side in units box open 2 +region cylreg cylinder z 25 25 2 0 10 side in units box open 2 + +region conereg cone z ${xc} ${yc} ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 #Bottom and top are open +region conereg cone z 25 ${yc} ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 +region conereg cone z 25 25 ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 +region conereg cone z 25 25 2 ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 +region conereg cone z 25 25 2 20 ${zconelo} ${zconehi} side in units box open 1 open 2 +region conereg cone z 25 25 2 20 10 ${zconehi} side in units box open 1 open 2 +region conereg cone z 25 25 2 20 10 50 side in units box open 1 open 2 + +region hopreg union 2 conereg cylreg + +fix grav all gravity ${gravity} vector 0 0 -1 +fix grav all gravity 1 vector 0 0 -1 +fix 1 all nve/sphere + + +fix hopper3 all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg + +fix ins all pour 2000 1 42424 region insreg diam range ${dlo} ${dhi} dens ${density} ${density} +fix ins all pour 2000 1 42424 region insreg diam range 0.5 ${dhi} dens ${density} ${density} +fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens ${density} ${density} +fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens 1 ${density} +fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens 1 1 +Particle insertion: 3000 every 59965 steps, 2000 by step 1 + +#dump 1 all custom ${dumpfreq} ${name}.dump # id type mass diameter x y z + +#dump 2 all image 4000 image.*.jpg type type # axes yes 0.8 0.02 view 60 -30 zoom 3.0 # box no 0.0 axes no 0.0 0.0 +#dump_modify 2 pad 6 + +thermo_style custom step cpu atoms ke +WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:896) +thermo_modify flush yes lost warn + +# Initial run to fill up the cone + +run 20000 + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + +Your simulation uses code contributions which should be cited: + +- neighbor multi command: doi:10.1016/j.cpc.2008.03.005, doi:10.1007/s40571-020-00361-2 + +@Article{Intveld08, + author = {in 't Veld, P. J. and S. J.~Plimpton and G. S. Grest}, + title = {Accurate and Efficient Methods for Modeling Colloidal + Mixtures in an Explicit Solvent using Molecular Dynamics}, + journal = {Comput.\ Phys.\ Commut.}, + year = 2008, + volume = 179, + pages = {320--329} +} + +@article{Shire2020, + author = {Shire, Tom and Hanley, Kevin J. and Stratford, Kevin}, + title = {{DEM} Simulations of Polydisperse Media: Efficient Contact + Detection Applied to Investigate the Quasi-Static Limit}, + journal = {Computational Particle Mechanics}, + year = {2020} +} + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + +Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 6.049 | 6.049 | 6.049 Mbytes + Step CPU Atoms KinEng + 0 0 0 -0 + 1000 0.4194951 2000 -0 + 2000 0.61516729 2000 -0 + 3000 0.80702516 2000 -0 + 4000 0.99253349 2000 -0 + 5000 1.172741 2000 -0 + 6000 1.3484682 2000 -0 + 7000 1.5206253 2000 -0 + 8000 1.6875025 2000 -0 + 9000 1.8503087 2000 -0 + 10000 2.0125622 2000 -0 + 11000 2.0890872 2000 -0 + 12000 2.1663582 2000 -0 + 13000 2.2430386 2000 -0 + 14000 2.320045 2000 -0 + 15000 2.3989769 2000 -0 + 16000 2.4824747 2000 -0 + 17000 2.5693391 2000 -0 + 18000 2.6595183 2000 -0 + 19000 2.752627 2000 -0 + 20000 2.8503071 2000 -0 +Loop time of 2.85034 on 4 procs for 20000 steps with 2000 atoms + +98.0% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.04057 | 0.088166 | 0.18377 | 18.9 | 3.09 +Neigh | 0.0072649 | 0.014273 | 0.025073 | 5.5 | 0.50 +Comm | 0.097843 | 0.19506 | 0.29871 | 19.9 | 6.84 +Output | 0.00099986 | 0.0018246 | 0.0023299 | 1.2 | 0.06 +Modify | 0.68567 | 1.1174 | 1.9527 | 46.8 | 39.20 +Other | | 1.434 | | | 50.30 + +Nlocal: 500 ave 510 max 493 min +Histogram: 1 1 0 0 0 1 0 0 0 1 +Nghost: 154 ave 227 max 79 min +Histogram: 1 0 0 0 1 0 1 0 0 1 +Neighs: 415.5 ave 610 max 258 min +Histogram: 1 1 0 0 0 0 1 0 0 1 + +Total # of neighbors = 1662 +Ave neighs/atom = 0.831 +Neighbor list builds = 71 +Dangerous builds = 0 +unfix ins +run 150000 +Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 12.33 | 12.5 | 12.68 Mbytes + Step CPU Atoms KinEng + 20000 0 2000 6652.2957 + 21000 0.069761009 2000 6807.2201 + 22000 0.14277925 2000 6973.9359 + 23000 0.21755553 2000 7142.3648 + 24000 0.29656838 2000 7276.9717 + 25000 0.3791331 2000 7369.4191 + 26000 0.46663378 2000 7497.6526 + 27000 0.55670237 2000 7638.946 + 28000 0.65212555 2000 7780.0339 + 29000 0.75032507 2000 7881.8177 + 30000 0.85580942 2000 7967.2641 + 31000 0.93204785 2000 7994.9273 + 32000 1.0168325 2000 7937.0672 + 33000 1.1081585 2000 7774.0508 + 34000 1.2084122 2000 7591.1511 + 35000 1.3164174 2000 7357.5032 + 36000 1.4326847 2000 7147.3776 + 37000 1.5548919 2000 6980.0719 + 38000 1.6806183 2000 6813.0872 + 39000 1.8171138 2000 6657.0693 + 40000 1.9655069 2000 6505.1155 + 41000 2.0788398 2000 6330.2864 + 42000 2.1972941 2000 6147.8022 + 43000 2.3180177 2000 5932.9244 + 44000 2.4424194 2000 5755.296 + 45000 2.5679759 2000 5511.622 + 46000 2.7042099 2000 5332.3171 + 47000 2.8436403 2000 5162.4926 + 48000 2.983017 2000 5044.5764 + 49000 3.1228322 2000 4901.1141 + 50000 3.2614172 2000 4731.1949 + 51000 3.3835559 2000 4575.418 + 52000 3.5097034 2000 4428.9425 + 53000 3.6438561 2000 4291.7282 + 54000 3.7823058 2000 4154.1885 + 55000 3.9269393 2000 3994.9402 + 56000 4.0761939 2000 3855.5977 + 57000 4.2262191 2000 3672.9504 + 58000 4.3809045 2000 3435.3395 + 59000 4.5439971 2000 3200.7379 + 60000 4.7111867 2000 2986.5411 + 61000 4.8700167 2000 2747.3628 + 62000 5.030656 2000 2542.0805 + 63000 5.1932098 2000 2336.7687 + 64000 5.3585095 2000 2151.6388 + 65000 5.5278279 2000 1933.6773 + 66000 5.7032072 2000 1699.0747 + 67000 5.8804545 2000 1467.7209 + 68000 6.0598984 2000 1227.3577 + 69000 6.2471961 2000 1016.2766 + 70000 6.4413532 2000 812.90843 + 71000 6.615215 2000 632.88108 + 72000 6.7897335 2000 470.67731 + 73000 6.964705 2000 360.47748 + 74000 7.1361808 2000 286.10584 + 75000 7.3068097 2000 229.70386 + 76000 7.4771974 2000 179.62654 + 77000 7.6485358 2000 142.40417 + 78000 7.8200771 2000 113.55745 + 79000 7.9923688 2000 93.787669 + 80000 8.164219 2000 80.646319 + 81000 8.3372059 2000 70.944319 + 82000 8.5130035 2000 59.2275 + 83000 8.6877383 2000 49.633808 + 84000 8.8675712 2000 42.882698 + 85000 9.0509682 2000 36.841824 + 86000 9.2393665 2000 31.776681 + 87000 9.4296116 2000 28.25076 + 88000 9.622196 2000 25.228966 + 89000 9.8176023 2000 22.593627 + 90000 10.01325 2000 21.15796 + 91000 10.204474 2000 19.941629 + 92000 10.399553 2000 18.375654 + 93000 10.596683 2000 17.056701 + 94000 10.796988 2000 16.192511 + 95000 10.998545 2000 15.572922 + 96000 11.200614 2000 14.827788 + 97000 11.402484 2000 13.919613 + 98000 11.606219 2000 13.19525 + 99000 11.81042 2000 11.993376 + 100000 12.018294 2000 11.258787 + 101000 12.223702 2000 10.641688 + 102000 12.432026 2000 10.430435 + 103000 12.640962 2000 9.518069 + 104000 12.849109 2000 9.1332086 + 105000 13.05872 2000 9.2151611 + 106000 13.269956 2000 9.0035132 + 107000 13.481882 2000 8.7835861 + 108000 13.693895 2000 8.5124479 + 109000 13.906381 2000 8.2975453 + 110000 14.120217 2000 8.3483043 + 111000 14.332078 2000 8.4658572 + 112000 14.54349 2000 8.4771784 + 113000 14.755719 2000 7.8937975 + 114000 14.968619 2000 7.2472953 + 115000 15.180485 2000 6.5812074 + 116000 15.394405 2000 5.5651566 + 117000 15.607523 2000 5.3015807 + 118000 15.821873 2000 5.0133941 + 119000 16.035675 2000 4.8746036 + 120000 16.24964 2000 4.9133073 + 121000 16.462102 2000 4.3337392 + 122000 16.676371 2000 4.3374836 + 123000 16.890252 2000 4.3721818 + 124000 17.106594 2000 4.3894508 + 125000 17.321433 2000 4.1811774 + 126000 17.536692 2000 4.3011002 + 127000 17.748238 2000 4.442228 + 128000 17.962609 2000 4.6170394 + 129000 18.175315 2000 4.8184318 + 130000 18.389056 2000 4.8442096 + 131000 18.600872 2000 4.9668117 + 132000 18.81412 2000 4.8364562 + 133000 19.027514 2000 4.6658645 + 134000 19.23975 2000 4.5758487 + 135000 19.451085 2000 4.7251949 + 136000 19.663874 2000 4.5846492 + 137000 19.87624 2000 4.7565986 + 138000 20.088654 2000 4.8186623 + 139000 20.29935 2000 4.6571647 + 140000 20.510911 2000 4.0730143 + 141000 20.722072 2000 4.0605542 + 142000 20.933113 2000 4.1457179 + 143000 21.143916 2000 4.3418042 + 144000 21.353873 2000 4.0323813 + 145000 21.567015 2000 3.8064958 + 146000 21.781334 2000 3.1802044 + 147000 21.996799 2000 2.7947641 + 148000 22.209808 2000 2.7384164 + 149000 22.423177 2000 2.7428829 + 150000 22.638044 2000 2.7802186 + 151000 22.851676 2000 2.6703451 + 152000 23.065354 2000 2.3357647 + 153000 23.278882 2000 1.9855305 + 154000 23.494254 2000 1.9442713 + 155000 23.708192 2000 1.7348027 + 156000 23.923005 2000 1.5699942 + 157000 24.13827 2000 1.5224944 + 158000 24.352068 2000 1.4850914 + 159000 24.565616 2000 1.4461048 + 160000 24.779118 2000 1.3759525 + 161000 24.99111 2000 0.83754463 + 162000 25.205935 2000 0.7952922 + 163000 25.420817 2000 0.69670143 + 164000 25.632672 2000 0.66253723 + 165000 25.846901 2000 0.64602969 + 166000 26.060074 2000 0.60229858 + 167000 26.273714 2000 0.5757589 + 168000 26.484855 2000 0.5996023 + 169000 26.698151 2000 0.62130448 + 170000 26.911208 2000 0.63888277 +Loop time of 26.9112 on 4 procs for 150000 steps with 2000 atoms + +95.1% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 4.5517 | 8.6135 | 10.872 | 82.7 | 32.01 +Neigh | 0.092491 | 0.15402 | 0.19598 | 9.7 | 0.57 +Comm | 2.0054 | 3.8686 | 4.6494 | 55.0 | 14.38 +Output | 0.0047033 | 0.0096766 | 0.016452 | 4.6 | 0.04 +Modify | 5.6498 | 7.9588 | 9.4012 | 49.7 | 29.57 +Other | | 6.307 | | | 23.43 + +Nlocal: 500 ave 538 max 419 min +Histogram: 1 0 0 0 0 0 0 1 0 2 +Nghost: 445.5 ave 688 max 200 min +Histogram: 1 0 0 0 1 0 1 0 0 1 +Neighs: 4500.25 ave 5610 max 3443 min +Histogram: 1 0 1 0 0 0 1 0 0 1 + +Total # of neighbors = 18001 +Ave neighs/atom = 9.0005 +Neighbor list builds = 362 +Dangerous builds = 0 + +# remove "plug" - need to redefine cylinder region & union + +region cylreg delete +region hopreg delete +region cylreg cylinder z ${xc} ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2 #Bottom & top are open +region cylreg cylinder z 25 ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2 +region cylreg cylinder z 25 25 ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2 +region cylreg cylinder z 25 25 2 ${zcyllo} ${zconelo} side in units box open 1 open 2 +region cylreg cylinder z 25 25 2 0 ${zconelo} side in units box open 1 open 2 +region cylreg cylinder z 25 25 2 0 10 side in units box open 1 open 2 + +region hopreg union 2 cylreg conereg + +unfix hopper3 +fix hopper3 all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg +fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg + +run 100000 +Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 12.34 | 12.53 | 12.68 Mbytes + Step CPU Atoms KinEng + 170000 0 2000 0.63888277 + 171000 0.21419748 2000 1.4139245 + 172000 0.42844271 2000 2.2400138 + 173000 0.64333145 2000 3.8034979 + 174000 0.85456696 2000 6.116727 + 175000 1.0672981 2000 8.9536458 + 176000 1.2790911 2000 12.74348 + 177000 1.491721 2000 17.410816 + 178000 1.7033452 2000 22.879174 + 179000 1.9168047 2000 28.966022 + 180000 2.1329071 2000 35.449239 + 181000 2.3490841 2000 42.694882 + 182000 2.565508 2000 50.913279 + 183000 2.780369 2000 60.098465 + 184000 2.9967771 2000 70.133474 + 185000 3.2116891 2000 80.950013 + 186000 3.4248923 2000 92.495525 + 187000 3.6394206 2000 104.83034 + 188000 3.8527533 2000 118.04659 + 189000 4.0650838 2000 132.7403 + 190000 4.2781031 2000 148.31955 + 191000 4.476226 2000 164.26321 + 192000 4.6750263 2000 180.6933 + 193000 4.8710737 2000 197.72012 + 194000 5.0677642 2000 215.43637 + 195000 5.2639974 2000 234.29738 + 196000 5.4599746 2000 254.03407 + 197000 5.6534894 2000 274.58626 + 198000 5.8462402 2000 296.88915 + 199000 6.0400194 2000 320.45001 + 200000 6.2329415 2000 344.75891 + 201000 6.4235068 2000 370.14016 + 202000 6.6142055 2000 395.72827 + 203000 6.8048206 2000 420.42026 + 204000 6.9987454 2000 446.08079 + 205000 7.1925778 2000 473.62963 + 206000 7.3846227 2000 501.05693 + 207000 7.5775122 2000 530.40427 + 208000 7.77052 2000 560.62015 + 209000 7.964984 2000 593.00113 + 210000 8.1601405 2000 626.36661 + 211000 8.3504978 2000 661.34861 + 212000 8.5425141 2000 697.41001 + 213000 8.736112 2000 735.12299 + 214000 8.9267615 2000 773.89126 + 215000 9.1154738 2000 813.83268 + 216000 9.3019826 2000 854.63669 + 217000 9.4878433 2000 896.59089 + 218000 9.6739682 2000 938.70251 + 219000 9.8566518 2000 982.10773 + 220000 10.042289 2000 1025.2953 + 221000 10.227275 2000 1069.8382 + 222000 10.412363 2000 1115.4449 + 223000 10.602757 2000 1161.6742 + 224000 10.789101 2000 1211.289 + 225000 10.974854 2000 1262.8074 + 226000 11.157089 2000 1316.6353 + 227000 11.337044 2000 1370.7434 +WARNING: Lost atoms: original 2000 current 1991 (../thermo.cpp:486) + 228000 11.518718 1991 1382.0924 + 229000 11.700488 1986 1407.1543 + 230000 11.883057 1975 1415.708 + 231000 12.063962 1968 1430.6498 + 232000 12.246917 1957 1421.0352 + 233000 12.429345 1939 1376.0322 + 234000 12.6113 1925 1350.1292 + 235000 12.791233 1912 1337.0529 + 236000 12.968444 1893 1273.2219 + 237000 13.146668 1879 1207.0473 + 238000 13.327542 1861 1132.0109 + 239000 13.50936 1846 1083.1042 + 240000 13.693504 1826 1004.3265 + 241000 13.863443 1819 989.36186 + 242000 14.03294 1812 983.26132 + 243000 14.20032 1805 985.79932 + 244000 14.366236 1794 936.34844 + 245000 14.532759 1784 889.17423 + 246000 14.703029 1770 846.65018 + 247000 14.873941 1753 751.16306 + 248000 15.045272 1740 709.23095 + 249000 15.217896 1732 687.61586 + 250000 15.388727 1721 638.82967 + 251000 15.558032 1714 618.71543 + 252000 15.725309 1709 611.25444 + 253000 15.888727 1705 606.6846 + 254000 16.050605 1702 601.7236 + 255000 16.212982 1697 575.97244 + 256000 16.378352 1695 577.1712 + 257000 16.547488 1691 576.93668 + 258000 16.718964 1688 586.63687 + 259000 16.892601 1686 581.52487 + 260000 17.066036 1682 566.49544 + 261000 17.22488 1681 586.18628 + 262000 17.379249 1678 582.11927 + 263000 17.534079 1675 589.96041 + 264000 17.690288 1672 577.55581 + 265000 17.847805 1669 570.45998 + 266000 18.006261 1666 574.0576 + 267000 18.1674 1662 578.07385 + 268000 18.326753 1660 587.65705 + 269000 18.488052 1657 584.43358 + 270000 18.647474 1654 591.22601 +Loop time of 18.6475 on 4 procs for 100000 steps with 1654 atoms + +94.4% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 2.7714 | 6.1879 | 8.8765 | 88.8 | 33.18 +Neigh | 0.094692 | 0.11244 | 0.13298 | 4.6 | 0.60 +Comm | 1.2471 | 2.918 | 3.5873 | 57.0 | 15.65 +Output | 0.0013438 | 0.0067176 | 0.014709 | 6.0 | 0.04 +Modify | 4.4355 | 5.0416 | 5.5692 | 21.9 | 27.04 +Other | | 4.381 | | | 23.49 + +Nlocal: 413.5 ave 429 max 408 min +Histogram: 3 0 0 0 0 0 0 0 0 1 +Nghost: 408.25 ave 653 max 182 min +Histogram: 1 0 0 1 0 1 0 0 0 1 +Neighs: 3486.25 ave 4367 max 2213 min +Histogram: 1 0 0 0 0 1 0 0 1 1 + +Total # of neighbors = 13945 +Ave neighs/atom = 8.4310762 +Neighbor list builds = 227 +Dangerous builds = 0 +Total wall time: 0:00:48 diff --git a/examples/granregion/log.15Sep22.granregion.mixer.g++.1 b/examples/granregion/log.15Sep22.granregion.mixer.g++.1 new file mode 100644 index 0000000000..2a3402c642 --- /dev/null +++ b/examples/granregion/log.15Sep22.granregion.mixer.g++.1 @@ -0,0 +1,632 @@ +LAMMPS (15 Sep 2022) +variable name string mixer + +thermo_modify flush yes +variable seed equal 14314 + +############################################### +# Particle parameters +################################################ + +variable rlo equal 0.3 +variable rhi equal 0.6 +variable dlo equal 2.0*${rlo} +variable dlo equal 2.0*0.3 +variable dhi equal 2.0*${rhi} +variable dhi equal 2.0*0.6 +variable skin equal ${rhi} +variable skin equal 0.6 + +variable coeffRes equal 0.1 +variable coeffFric equal 0.5 + +variable kn equal 10^5 +variable kt equal 0.2*${kn} +variable kt equal 0.2*100000 + +variable gravity equal 1.0 +variable density equal 1.0 + +variable min_mass equal ${density}*4.0/3.0*PI*${rlo}*${rlo}*${rlo} +variable min_mass equal 1*4.0/3.0*PI*${rlo}*${rlo}*${rlo} +variable min_mass equal 1*4.0/3.0*PI*0.3*${rlo}*${rlo} +variable min_mass equal 1*4.0/3.0*PI*0.3*0.3*${rlo} +variable min_mass equal 1*4.0/3.0*PI*0.3*0.3*0.3 +variable a equal (-2.0*log(${coeffRes})/PI)^2 +variable a equal (-2.0*log(0.1)/PI)^2 +variable gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a)) +variable gamma_n equal sqrt(0.405284734569351*2*${kn}/${min_mass}/(1+0.25*$a)) +variable gamma_n equal sqrt(0.405284734569351*2*100000/${min_mass}/(1+0.25*$a)) +variable gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*$a)) +variable gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*0.405284734569351)) +variable gamma_t equal ${gamma_n}*0.5 +variable gamma_t equal 806.699778405191*0.5 + +variable tcol equal PI/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0) +variable tcol equal PI/sqrt(2*100000/${min_mass}-${gamma_n}/4.0) +variable tcol equal PI/sqrt(2*100000/0.113097335529233-${gamma_n}/4.0) +variable tcol equal PI/sqrt(2*100000/0.113097335529233-806.699778405191/4.0) + +variable dt equal ${tcol}*0.02 +variable dt equal 0.00236257621510454*0.02 +timestep ${dt} +timestep 4.72515243020908e-05 + +############################################### + +variable dumpfreq equal 1000 +variable logfreq equal 1000 + +newton on +atom_style sphere + +boundary p p f + +region boxreg block 0 20 0 20 0 20 +create_box 1 boxreg +Created orthogonal box = (0 0 0) to (20 20 20) + 1 by 1 by 1 MPI processor grid + +pair_style gran/hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 +pair_style gran/hertz/history 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 +pair_style gran/hertz/history 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 +pair_style gran/hertz/history 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 +pair_style gran/hertz/history 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 +pair_style gran/hertz/history 100000 20000 806.699778405191 403.349889202595 0.5 1 +pair_coeff * * + +neighbor ${skin} multi +neighbor 0.6 multi +thermo ${logfreq} +thermo 1000 + +comm_style brick +comm_modify mode multi group all vel yes +balance 1.1 shift xyz 20 1.1 +Balancing ... +Generated 0 of 0 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 = 0 + ghost atom cutoff = 0 + binsize = 20, bins = 1 1 1 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair gran/hertz/history, perpetual + attributes: half, newton on, size, history + pair build: half/size/multi/newton + stencil: half/multi/3d + bin: multi +WARNING: Communication cutoff is 0.0. No ghost atoms will be generated. Atoms may get lost. (../comm_brick.cpp:210) +fix bal all balance 10000 1.1 shift xyz 20 1.01 + +####################### Options specific to pouring ######################### + +region insreg cylinder z 10 10 8 10 18 side in units box +region cylreg cylinder z 10 10 10 0 20 side in units box + +variable theta equal (step/400000)*2*PI + +region b1 block 2 18 9 11 0 4 side out rotate v_theta 10 10 0 0 0 1 units box +region b2 block 9 11 2 18 0 3.99999 side out rotate v_theta 10 10 0 0 0 1 units box + +region mixer intersect 3 cylreg b1 b2 side in + +fix grav all gravity ${gravity} vector 0 0 -1 +fix grav all gravity 1 vector 0 0 -1 +fix 1 all nve/sphere + +fix mixwall all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer +fix mixwall all wall/gran/region hertz/history 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer +fix mixwall all wall/gran/region hertz/history 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer +fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 region mixer +fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 region mixer +fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 403.349889202595 0.5 1 region mixer + +fix ins all pour 1000 1 42424 region insreg diam range ${dlo} ${dhi} dens ${density} ${density} +fix ins all pour 1000 1 42424 region insreg diam range 0.6 ${dhi} dens ${density} ${density} +fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens ${density} ${density} +fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens 1 ${density} +fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens 1 1 +Particle insertion: 444 every 84653 steps, 1000 by step 169307 + +#dump 1 all custom ${dumpfreq} ${name}_pour.dump # id type mass diameter x y z + +#dump 2 all image 4000 image.*.jpg type type # axes yes 0.8 0.02 view 60 -30 zoom 1.5 # box no 0.0 axes no 0.0 0.0 +#dump_modify 2 pad 6 + +thermo_style custom step cpu atoms ke v_theta +WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:896) +thermo_modify flush yes lost warn + +run 200000 + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + +Your simulation uses code contributions which should be cited: + +- neighbor multi command: doi:10.1016/j.cpc.2008.03.005, doi:10.1007/s40571-020-00361-2 + +@Article{Intveld08, + author = {in 't Veld, P. J. and S. J.~Plimpton and G. S. Grest}, + title = {Accurate and Efficient Methods for Modeling Colloidal + Mixtures in an Explicit Solvent using Molecular Dynamics}, + journal = {Comput.\ Phys.\ Commut.}, + year = 2008, + volume = 179, + pages = {320--329} +} + +@article{Shire2020, + author = {Shire, Tom and Hanley, Kevin J. and Stratford, Kevin}, + title = {{DEM} Simulations of Polydisperse Media: Efficient Contact + Detection Applied to Investigate the Quasi-Static Limit}, + journal = {Computational Particle Mechanics}, + year = {2020} +} + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + +Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 5.861 | 5.861 | 5.861 Mbytes + Step CPU Atoms KinEng v_theta + 0 0 0 -0 0 + 1000 0.10672296 444 -0 0.015707963 + 2000 0.2090638 444 -0 0.031415927 + 3000 0.31029663 444 -0 0.04712389 + 4000 0.41047624 444 -0 0.062831853 + 5000 0.51132361 444 -0 0.078539816 + 6000 0.61279172 444 -0 0.09424778 + 7000 0.71396622 444 -0 0.10995574 + 8000 0.81644319 444 -0 0.12566371 + 9000 0.91730959 444 -0 0.14137167 + 10000 1.0181635 444 -0 0.15707963 + 11000 1.1182214 444 -0 0.1727876 + 12000 1.2190013 444 -0 0.18849556 + 13000 1.3196138 444 -0 0.20420352 + 14000 1.4183593 444 -0 0.21991149 + 15000 1.5178458 444 -0 0.23561945 + 16000 1.6169535 444 -0 0.25132741 + 17000 1.7219188 444 -0 0.26703538 + 18000 1.8266303 444 -0 0.28274334 + 19000 1.9331589 444 -0 0.2984513 + 20000 2.0392693 444 -0 0.31415927 + 21000 2.1457521 444 -0 0.32986723 + 22000 2.2507526 444 -0 0.34557519 + 23000 2.3548243 444 -0 0.36128316 + 24000 2.4606335 444 -0 0.37699112 + 25000 2.5657643 444 -0 0.39269908 + 26000 2.6698254 444 -0 0.40840704 + 27000 2.7732221 444 -0 0.42411501 + 28000 2.8766441 444 -0 0.43982297 + 29000 2.9801547 444 -0 0.45553093 + 30000 3.0839748 444 -0 0.4712389 + 31000 3.1880063 444 -0 0.48694686 + 32000 3.2923439 444 -0 0.50265482 + 33000 3.3969501 444 -0 0.51836279 + 34000 3.5012646 444 -0 0.53407075 + 35000 3.6057831 444 -0 0.54977871 + 36000 3.7098273 444 -0 0.56548668 + 37000 3.8146061 444 -0 0.58119464 + 38000 3.9215588 444 -0 0.5969026 + 39000 4.0474026 444 -0 0.61261057 + 40000 4.1544945 444 -0 0.62831853 + 41000 4.2605761 444 -0 0.64402649 + 42000 4.3665287 444 -0 0.65973446 + 43000 4.4728216 444 -0 0.67544242 + 44000 4.5782483 444 -0 0.69115038 + 45000 4.6833043 444 -0 0.70685835 + 46000 4.7902207 444 -0 0.72256631 + 47000 4.8968527 444 -0 0.73827427 + 48000 5.0035027 444 -0 0.75398224 + 49000 5.1117191 444 -0 0.7696902 + 50000 5.2186233 444 -0 0.78539816 + 51000 5.3244005 444 -0 0.80110613 + 52000 5.4316153 444 -0 0.81681409 + 53000 5.5381785 444 -0 0.83252205 + 54000 5.6458179 444 -0 0.84823002 + 55000 5.759203 444 -0 0.86393798 + 56000 5.8779849 444 -0 0.87964594 + 57000 5.9953108 444 -0 0.89535391 + 58000 6.1115532 444 -0 0.91106187 + 59000 6.2298342 444 -0 0.92676983 + 60000 6.3474382 444 -0 0.9424778 + 61000 6.4642217 444 -0 0.95818576 + 62000 6.5815141 444 -0 0.97389372 + 63000 6.6999766 444 -0 0.98960169 + 64000 6.8181369 444 -0 1.0053096 + 65000 6.9368124 444 -0 1.0210176 + 66000 7.0560733 444 -0 1.0367256 + 67000 7.1761749 444 -0 1.0524335 + 68000 7.2942246 444 -0 1.0681415 + 69000 7.4146786 444 -0 1.0838495 + 70000 7.5364025 444 -0 1.0995574 + 71000 7.6565177 444 -0 1.1152654 + 72000 7.7776652 444 -0 1.1309734 + 73000 7.8972494 444 -0 1.1466813 + 74000 8.0183599 444 -0 1.1623893 + 75000 8.1423045 444 -0 1.1780972 + 76000 8.2667013 444 -0 1.1938052 + 77000 8.3876604 444 -0 1.2095132 + 78000 8.5095993 444 -0 1.2252211 + 79000 8.6317663 444 -0 1.2409291 + 80000 8.7562108 444 -0 1.2566371 + 81000 8.8812625 444 -0 1.272345 + 82000 9.006825 444 -0 1.288053 + 83000 9.1310939 444 -0 1.303761 + 84000 9.2540049 444 -0 1.3194689 + 85000 9.4210019 888 -0 1.3351769 + 86000 9.6509014 888 -0 1.3508848 + 87000 9.8827304 888 -0 1.3665928 + 88000 10.113857 888 -0 1.3823008 + 89000 10.34324 888 -0 1.3980087 + 90000 10.574203 888 -0 1.4137167 + 91000 10.806069 888 -0 1.4294247 + 92000 11.037044 888 -0 1.4451326 + 93000 11.262596 888 -0 1.4608406 + 94000 11.490532 888 -0 1.4765485 + 95000 11.716452 888 -0 1.4922565 + 96000 11.943883 888 -0 1.5079645 + 97000 12.171353 888 -0 1.5236724 + 98000 12.396787 888 -0 1.5393804 + 99000 12.623788 888 -0 1.5550884 + 100000 12.849633 888 -0 1.5707963 + 101000 13.082904 888 -0 1.5865043 + 102000 13.316986 888 -0 1.6022123 + 103000 13.54777 888 -0 1.6179202 + 104000 13.77928 888 -0 1.6336282 + 105000 14.014818 888 -0 1.6493361 + 106000 14.250986 888 -0 1.6650441 + 107000 14.485754 888 -0 1.6807521 + 108000 14.720106 888 -0 1.69646 + 109000 14.970869 888 -0 1.712168 + 110000 15.219203 888 -0 1.727876 + 111000 15.469876 888 -0 1.7435839 + 112000 15.721351 888 -0 1.7592919 + 113000 15.972099 888 -0 1.7749998 + 114000 16.222357 888 -0 1.7907078 + 115000 16.474863 888 -0 1.8064158 + 116000 16.725352 888 -0 1.8221237 + 117000 16.979634 888 -0 1.8378317 + 118000 17.231379 888 -0 1.8535397 + 119000 17.483691 888 -0 1.8692476 + 120000 17.737897 888 -0 1.8849556 + 121000 17.991241 888 -0 1.9006636 + 122000 18.245626 888 -0 1.9163715 + 123000 18.499984 888 -0 1.9320795 + 124000 18.754367 888 -0 1.9477874 + 125000 19.006448 888 -0 1.9634954 + 126000 19.260545 888 -0 1.9792034 + 127000 19.513633 888 -0 1.9949113 + 128000 19.769389 888 -0 2.0106193 + 129000 20.025088 888 -0 2.0263273 + 130000 20.277534 888 -0 2.0420352 + 131000 20.529284 888 -0 2.0577432 + 132000 20.785132 888 -0 2.0734512 + 133000 21.038442 888 -0 2.0891591 + 134000 21.293932 888 -0 2.1048671 + 135000 21.545354 888 -0 2.120575 + 136000 21.799547 888 -0 2.136283 + 137000 22.053639 888 -0 2.151991 + 138000 22.310106 888 -0 2.1676989 + 139000 22.569362 888 -0 2.1834069 + 140000 22.829416 888 -0 2.1991149 + 141000 23.089132 888 -0 2.2148228 + 142000 23.345737 888 -0 2.2305308 + 143000 23.60621 888 -0 2.2462387 + 144000 23.867414 888 -0 2.2619467 + 145000 24.132954 888 -0 2.2776547 + 146000 24.39395 888 -0 2.2933626 + 147000 24.657881 888 -0 2.3090706 + 148000 24.918563 888 -0 2.3247786 + 149000 25.177446 888 -0 2.3404865 + 150000 25.446598 888 -0 2.3561945 + 151000 25.715494 888 -0 2.3719025 + 152000 25.985991 888 -0 2.3876104 + 153000 26.256676 888 -0 2.4033184 + 154000 26.525639 888 -0 2.4190263 + 155000 26.82656 888 -0 2.4347343 + 156000 27.157272 888 -0 2.4504423 + 157000 27.481755 888 -0 2.4661502 + 158000 27.80198 888 -0 2.4818582 + 159000 28.123258 888 -0 2.4975662 + 160000 28.437502 888 -0 2.5132741 + 161000 28.756496 888 -0 2.5289821 + 162000 29.080609 888 -0 2.54469 + 163000 29.399252 888 -0 2.560398 + 164000 29.718986 888 -0 2.576106 + 165000 30.045206 888 -0 2.5918139 + 166000 30.365168 888 -0 2.6075219 + 167000 30.684007 888 -0 2.6232299 + 168000 31.006154 888 -0 2.6389378 + 169000 31.330336 888 -0 2.6546458 + 170000 31.681761 1000 -0 2.6703538 + 171000 32.049778 1000 -0 2.6860617 + 172000 32.421067 1000 -0 2.7017697 + 173000 32.79935 1000 -0 2.7174776 + 174000 33.178002 1000 -0 2.7331856 + 175000 33.54236 1000 -0 2.7488936 + 176000 33.904734 1000 -0 2.7646015 + 177000 34.269671 1000 -0 2.7803095 + 178000 34.633106 1000 -0 2.7960175 + 179000 35.001441 1000 -0 2.8117254 + 180000 35.374769 1000 -0 2.8274334 + 181000 35.742362 1000 -0 2.8431414 + 182000 36.115908 1000 -0 2.8588493 + 183000 36.490149 1000 -0 2.8745573 + 184000 36.866289 1000 -0 2.8902652 + 185000 37.252911 1000 -0 2.9059732 + 186000 37.644586 1000 -0 2.9216812 + 187000 38.028002 1000 -0 2.9373891 + 188000 38.40724 1000 -0 2.9530971 + 189000 38.77431 1000 -0 2.9688051 + 190000 39.14138 1000 -0 2.984513 + 191000 39.519083 1000 -0 3.000221 + 192000 39.895243 1000 -0 3.0159289 + 193000 40.237532 1000 -0 3.0316369 + 194000 40.587663 1000 -0 3.0473449 + 195000 40.939032 1000 -0 3.0630528 + 196000 41.290257 1000 -0 3.0787608 + 197000 41.643778 1000 -0 3.0944688 + 198000 41.992818 1000 -0 3.1101767 + 199000 42.335934 1000 -0 3.1258847 + 200000 42.681071 1000 -0 3.1415927 +Loop time of 42.6811 on 1 procs for 200000 steps with 1000 atoms + +Performance: 19130.397 tau/day, 4685.915 timesteps/s, 4.686 Matom-step/s +98.5% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 2.6365 | 2.6365 | 2.6365 | 0.0 | 6.18 +Neigh | 0.051681 | 0.051681 | 0.051681 | 0.0 | 0.12 +Comm | 0.52007 | 0.52007 | 0.52007 | 0.0 | 1.22 +Output | 0.02209 | 0.02209 | 0.02209 | 0.0 | 0.05 +Modify | 38.71 | 38.71 | 38.71 | 0.0 | 90.70 +Other | | 0.7407 | | | 1.74 + +Nlocal: 1000 ave 1000 max 1000 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 183 ave 183 max 183 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 3757 ave 3757 max 3757 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 3757 +Ave neighs/atom = 3.757 +Neighbor list builds = 200 +Dangerous builds = 0 +unfix ins +run 200000 +Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 11.89 | 11.89 | 11.89 Mbytes + Step CPU Atoms KinEng v_theta + 200000 0 1000 1.0515941 3.1415927 + 201000 0.35477257 1000 1.0348185 3.1573006 + 202000 0.71436123 1000 1.0220859 3.1730086 + 203000 1.0642832 1000 1.0225785 3.1887165 + 204000 1.4165213 1000 1.0206121 3.2044245 + 205000 1.7728133 1000 1.009961 3.2201325 + 206000 2.1279101 1000 0.9993323 3.2358404 + 207000 2.480623 1000 0.99602628 3.2515484 + 208000 2.8321106 1000 0.98341818 3.2672564 + 209000 3.2138945 1000 0.96700718 3.2829643 + 210000 3.5921146 1000 0.95226699 3.2986723 + 211000 3.9643569 1000 0.93911691 3.3143802 + 212000 4.3368151 1000 0.92920029 3.3300882 + 213000 4.7130192 1000 0.91893472 3.3457962 + 214000 5.0881313 1000 0.90873324 3.3615041 + 215000 5.4660106 1000 0.88925817 3.3772121 + 216000 5.8455926 1000 0.89108236 3.3929201 + 217000 6.2204827 1000 0.90176711 3.408628 + 218000 6.6046736 1000 0.90149435 3.424336 + 219000 6.9931145 1000 0.89629307 3.440044 + 220000 7.3771565 1000 0.90390589 3.4557519 + 221000 7.7635603 1000 0.87858148 3.4714599 + 222000 8.1502771 1000 0.88862314 3.4871678 + 223000 8.5393557 1000 0.90394098 3.5028758 + 224000 8.9327212 1000 0.91005462 3.5185838 + 225000 9.315331 1000 0.91753865 3.5342917 + 226000 9.6930994 1000 0.91741233 3.5499997 + 227000 10.077148 1000 0.9041879 3.5657077 + 228000 10.463223 1000 0.9085712 3.5814156 + 229000 10.850271 1000 0.8937854 3.5971236 + 230000 11.230235 1000 0.88740571 3.6128316 + 231000 11.61003 1000 0.88350028 3.6285395 + 232000 11.988134 1000 0.88344474 3.6442475 + 233000 12.365856 1000 0.88003311 3.6599554 + 234000 12.745397 1000 0.87416727 3.6756634 + 235000 13.120344 1000 0.86154585 3.6913714 + 236000 13.489521 1000 0.85705071 3.7070793 + 237000 13.858736 1000 0.85297378 3.7227873 + 238000 14.230242 1000 0.84879486 3.7384953 + 239000 14.609692 1000 0.86978407 3.7542032 + 240000 14.998899 1000 0.86758733 3.7699112 + 241000 15.40773 1000 0.86123097 3.7856191 + 242000 15.81537 1000 0.86088136 3.8013271 + 243000 16.221448 1000 0.85270311 3.8170351 + 244000 16.619008 1000 0.8524395 3.832743 + 245000 17.003986 1000 0.84054009 3.848451 + 246000 17.380362 1000 0.82623612 3.864159 + 247000 17.756477 1000 0.82787746 3.8798669 + 248000 18.136456 1000 0.83027177 3.8955749 + 249000 18.521277 1000 0.83307565 3.9112829 + 250000 18.906407 1000 0.82612362 3.9269908 + 251000 19.28348 1000 0.8404639 3.9426988 + 252000 19.66549 1000 0.83550946 3.9584067 + 253000 20.053842 1000 0.81516472 3.9741147 + 254000 20.451357 1000 0.79127421 3.9898227 + 255000 20.844416 1000 0.78373024 4.0055306 + 256000 21.228637 1000 0.79885661 4.0212386 + 257000 21.613641 1000 0.80322118 4.0369466 + 258000 21.99162 1000 0.79861523 4.0526545 + 259000 22.367158 1000 0.79216962 4.0683625 + 260000 22.746158 1000 0.79543097 4.0840704 + 261000 23.125626 1000 0.79394211 4.0997784 + 262000 23.504282 1000 0.79269346 4.1154864 + 263000 23.883609 1000 0.80022854 4.1311943 + 264000 24.261864 1000 0.79885184 4.1469023 + 265000 24.639269 1000 0.79595018 4.1626103 + 266000 25.016335 1000 0.78191184 4.1783182 + 267000 25.389754 1000 0.76329279 4.1940262 + 268000 25.762053 1000 0.7342663 4.2097342 + 269000 26.133966 1000 0.72303366 4.2254421 + 270000 26.511157 1000 0.70016481 4.2411501 + 271000 26.888842 1000 0.68891731 4.256858 + 272000 27.26804 1000 0.68545775 4.272566 + 273000 27.644067 1000 0.68712156 4.288274 + 274000 28.024704 1000 0.69249813 4.3039819 + 275000 28.404842 1000 0.70187847 4.3196899 + 276000 28.785799 1000 0.70679419 4.3353979 + 277000 29.165857 1000 0.70955357 4.3511058 + 278000 29.545291 1000 0.70183408 4.3668138 + 279000 29.926113 1000 0.69979273 4.3825218 + 280000 30.302095 1000 0.70822139 4.3982297 + 281000 30.684406 1000 0.71629209 4.4139377 + 282000 31.065873 1000 0.73094905 4.4296456 + 283000 31.445972 1000 0.74554115 4.4453536 + 284000 31.828184 1000 0.74390104 4.4610616 + 285000 32.207807 1000 0.74675359 4.4767695 + 286000 32.58802 1000 0.75330713 4.4924775 + 287000 32.964457 1000 0.75525926 4.5081855 + 288000 33.343222 1000 0.75174884 4.5238934 + 289000 33.717663 1000 0.74062375 4.5396014 + 290000 34.094722 1000 0.72784613 4.5553093 + 291000 34.46982 1000 0.72151574 4.5710173 + 292000 34.843777 1000 0.71712409 4.5867253 + 293000 35.208307 1000 0.71803758 4.6024332 + 294000 35.576207 1000 0.71002715 4.6181412 + 295000 35.942972 1000 0.7070911 4.6338492 + 296000 36.3107 1000 0.71082175 4.6495571 + 297000 36.682044 1000 0.70438977 4.6652651 + 298000 37.054664 1000 0.70240345 4.6809731 + 299000 37.424717 1000 0.70525357 4.696681 + 300000 37.796148 1000 0.70636846 4.712389 + 301000 38.166828 1000 0.70443346 4.7280969 + 302000 38.538428 1000 0.71187973 4.7438049 + 303000 38.907221 1000 0.71047139 4.7595129 + 304000 39.280263 1000 0.71405925 4.7752208 + 305000 39.652902 1000 0.71277063 4.7909288 + 306000 40.02752 1000 0.72005331 4.8066368 + 307000 40.402955 1000 0.72466112 4.8223447 + 308000 40.784177 1000 0.72001329 4.8380527 + 309000 41.173226 1000 0.70611982 4.8537606 + 310000 41.559195 1000 0.70810918 4.8694686 + 311000 41.946697 1000 0.70377166 4.8851766 + 312000 42.337059 1000 0.70434458 4.9008845 + 313000 42.728304 1000 0.70707385 4.9165925 + 314000 43.120803 1000 0.71412995 4.9323005 + 315000 43.510705 1000 0.72228946 4.9480084 + 316000 43.901867 1000 0.72715835 4.9637164 + 317000 44.295667 1000 0.73833476 4.9794244 + 318000 44.687503 1000 0.75953014 4.9951323 + 319000 45.077121 1000 0.76413836 5.0108403 + 320000 45.465317 1000 0.76745045 5.0265482 + 321000 45.86931 1000 0.75813288 5.0422562 + 322000 46.277029 1000 0.75324661 5.0579642 + 323000 46.680799 1000 0.75004276 5.0736721 + 324000 47.082361 1000 0.74316264 5.0893801 + 325000 47.481252 1000 0.74087383 5.1050881 + 326000 47.87511 1000 0.73244882 5.120796 + 327000 48.274582 1000 0.73096631 5.136504 + 328000 48.671718 1000 0.72955403 5.152212 + 329000 49.066335 1000 0.73464916 5.1679199 + 330000 49.459765 1000 0.73130257 5.1836279 + 331000 49.850698 1000 0.73008711 5.1993358 + 332000 50.241012 1000 0.72561074 5.2150438 + 333000 50.643245 1000 0.7214495 5.2307518 + 334000 51.039153 1000 0.71274232 5.2464597 + 335000 51.430328 1000 0.71335777 5.2621677 + 336000 51.819148 1000 0.71317423 5.2778757 + 337000 52.202763 1000 0.70965743 5.2935836 + 338000 52.585061 1000 0.69648518 5.3092916 + 339000 52.967678 1000 0.68985842 5.3249995 + 340000 53.351472 1000 0.6846783 5.3407075 + 341000 53.737731 1000 0.69031602 5.3564155 + 342000 54.131413 1000 0.69035259 5.3721234 + 343000 54.526384 1000 0.69843983 5.3878314 + 344000 54.921609 1000 0.69566088 5.4035394 + 345000 55.314258 1000 0.68309182 5.4192473 + 346000 55.701119 1000 0.68360919 5.4349553 + 347000 56.088194 1000 0.68034628 5.4506633 + 348000 56.467878 1000 0.67155093 5.4663712 + 349000 56.857709 1000 0.66504603 5.4820792 + 350000 57.250758 1000 0.66533658 5.4977871 + 351000 57.643438 1000 0.67726804 5.5134951 + 352000 58.04256 1000 0.68880987 5.5292031 + 353000 58.437369 1000 0.71377276 5.544911 + 354000 58.832421 1000 0.71715625 5.560619 + 355000 59.222221 1000 0.71729576 5.576327 + 356000 59.621431 1000 0.71088872 5.5920349 + 357000 60.013262 1000 0.70564615 5.6077429 + 358000 60.406494 1000 0.69291739 5.6234508 + 359000 60.800632 1000 0.68237469 5.6391588 + 360000 61.195364 1000 0.69105856 5.6548668 + 361000 61.588291 1000 0.69563351 5.6705747 + 362000 61.984821 1000 0.69762747 5.6862827 + 363000 62.377158 1000 0.69717346 5.7019907 + 364000 62.77604 1000 0.69413964 5.7176986 + 365000 63.165863 1000 0.68584257 5.7334066 + 366000 63.5503 1000 0.67653762 5.7491146 + 367000 63.930717 1000 0.66880284 5.7648225 + 368000 64.313698 1000 0.66024732 5.7805305 + 369000 64.708193 1000 0.65451701 5.7962384 + 370000 65.10142 1000 0.64352268 5.8119464 + 371000 65.49169 1000 0.63715296 5.8276544 + 372000 65.879115 1000 0.63840106 5.8433623 + 373000 66.268258 1000 0.64537192 5.8590703 + 374000 66.661807 1000 0.64498753 5.8747783 + 375000 67.052521 1000 0.64666103 5.8904862 + 376000 67.443168 1000 0.65957055 5.9061942 + 377000 67.835892 1000 0.65964257 5.9219022 + 378000 68.229282 1000 0.65720396 5.9376101 + 379000 68.623557 1000 0.66304265 5.9533181 + 380000 69.015967 1000 0.67465814 5.969026 + 381000 69.408981 1000 0.68582945 5.984734 + 382000 69.796561 1000 0.69516677 6.000442 + 383000 70.186403 1000 0.69835516 6.0161499 + 384000 70.5765 1000 0.70403284 6.0318579 + 385000 70.966205 1000 0.6955862 6.0475659 + 386000 71.360054 1000 0.704932 6.0632738 + 387000 71.757912 1000 0.71954173 6.0789818 + 388000 72.147544 1000 0.72347529 6.0946897 + 389000 72.535029 1000 0.72738907 6.1103977 + 390000 72.925842 1000 0.74783091 6.1261057 + 391000 73.306871 1000 0.76739039 6.1418136 + 392000 73.692746 1000 0.77184224 6.1575216 + 393000 74.053385 1000 0.76813357 6.1732296 + 394000 74.416323 1000 0.75994091 6.1889375 + 395000 74.777021 1000 0.74970188 6.2046455 + 396000 75.139847 1000 0.7523174 6.2203535 + 397000 75.502888 1000 0.74652931 6.2360614 + 398000 75.865442 1000 0.74418096 6.2517694 + 399000 76.225245 1000 0.75110038 6.2674773 + 400000 76.590032 1000 0.7609274 6.2831853 +Loop time of 76.5901 on 1 procs for 200000 steps with 1000 atoms + +Performance: 10660.735 tau/day, 2611.305 timesteps/s, 2.611 Matom-step/s +99.0% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 8.693 | 8.693 | 8.693 | 0.0 | 11.35 +Neigh | 0.082655 | 0.082655 | 0.082655 | 0.0 | 0.11 +Comm | 1.1618 | 1.1618 | 1.1618 | 0.0 | 1.52 +Output | 0.0052644 | 0.0052644 | 0.0052644 | 0.0 | 0.01 +Modify | 65.713 | 65.713 | 65.713 | 0.0 | 85.80 +Other | | 0.934 | | | 1.22 + +Nlocal: 1000 ave 1000 max 1000 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 268 ave 268 max 268 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 5015 ave 5015 max 5015 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 5015 +Ave neighs/atom = 5.015 +Neighbor list builds = 163 +Dangerous builds = 0 +Total wall time: 0:01:59 diff --git a/examples/granregion/log.15Sep22.granregion.mixer.g++.4 b/examples/granregion/log.15Sep22.granregion.mixer.g++.4 new file mode 100644 index 0000000000..57c517a063 --- /dev/null +++ b/examples/granregion/log.15Sep22.granregion.mixer.g++.4 @@ -0,0 +1,632 @@ +LAMMPS (15 Sep 2022) +variable name string mixer + +thermo_modify flush yes +variable seed equal 14314 + +############################################### +# Particle parameters +################################################ + +variable rlo equal 0.3 +variable rhi equal 0.6 +variable dlo equal 2.0*${rlo} +variable dlo equal 2.0*0.3 +variable dhi equal 2.0*${rhi} +variable dhi equal 2.0*0.6 +variable skin equal ${rhi} +variable skin equal 0.6 + +variable coeffRes equal 0.1 +variable coeffFric equal 0.5 + +variable kn equal 10^5 +variable kt equal 0.2*${kn} +variable kt equal 0.2*100000 + +variable gravity equal 1.0 +variable density equal 1.0 + +variable min_mass equal ${density}*4.0/3.0*PI*${rlo}*${rlo}*${rlo} +variable min_mass equal 1*4.0/3.0*PI*${rlo}*${rlo}*${rlo} +variable min_mass equal 1*4.0/3.0*PI*0.3*${rlo}*${rlo} +variable min_mass equal 1*4.0/3.0*PI*0.3*0.3*${rlo} +variable min_mass equal 1*4.0/3.0*PI*0.3*0.3*0.3 +variable a equal (-2.0*log(${coeffRes})/PI)^2 +variable a equal (-2.0*log(0.1)/PI)^2 +variable gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a)) +variable gamma_n equal sqrt(0.405284734569351*2*${kn}/${min_mass}/(1+0.25*$a)) +variable gamma_n equal sqrt(0.405284734569351*2*100000/${min_mass}/(1+0.25*$a)) +variable gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*$a)) +variable gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*0.405284734569351)) +variable gamma_t equal ${gamma_n}*0.5 +variable gamma_t equal 806.699778405191*0.5 + +variable tcol equal PI/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0) +variable tcol equal PI/sqrt(2*100000/${min_mass}-${gamma_n}/4.0) +variable tcol equal PI/sqrt(2*100000/0.113097335529233-${gamma_n}/4.0) +variable tcol equal PI/sqrt(2*100000/0.113097335529233-806.699778405191/4.0) + +variable dt equal ${tcol}*0.02 +variable dt equal 0.00236257621510454*0.02 +timestep ${dt} +timestep 4.72515243020908e-05 + +############################################### + +variable dumpfreq equal 1000 +variable logfreq equal 1000 + +newton on +atom_style sphere + +boundary p p f + +region boxreg block 0 20 0 20 0 20 +create_box 1 boxreg +Created orthogonal box = (0 0 0) to (20 20 20) + 1 by 2 by 2 MPI processor grid + +pair_style gran/hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 +pair_style gran/hertz/history 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 +pair_style gran/hertz/history 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 +pair_style gran/hertz/history 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 +pair_style gran/hertz/history 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 +pair_style gran/hertz/history 100000 20000 806.699778405191 403.349889202595 0.5 1 +pair_coeff * * + +neighbor ${skin} multi +neighbor 0.6 multi +thermo ${logfreq} +thermo 1000 + +comm_style brick +comm_modify mode multi group all vel yes +balance 1.1 shift xyz 20 1.1 +Balancing ... +Generated 0 of 0 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 = 0 + ghost atom cutoff = 0 + binsize = 20, bins = 1 1 1 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair gran/hertz/history, perpetual + attributes: half, newton on, size, history + pair build: half/size/multi/newton + stencil: half/multi/3d + bin: multi +WARNING: Communication cutoff is 0.0. No ghost atoms will be generated. Atoms may get lost. (../comm_brick.cpp:210) +fix bal all balance 10000 1.1 shift xyz 20 1.01 + +####################### Options specific to pouring ######################### + +region insreg cylinder z 10 10 8 10 18 side in units box +region cylreg cylinder z 10 10 10 0 20 side in units box + +variable theta equal (step/400000)*2*PI + +region b1 block 2 18 9 11 0 4 side out rotate v_theta 10 10 0 0 0 1 units box +region b2 block 9 11 2 18 0 3.99999 side out rotate v_theta 10 10 0 0 0 1 units box + +region mixer intersect 3 cylreg b1 b2 side in + +fix grav all gravity ${gravity} vector 0 0 -1 +fix grav all gravity 1 vector 0 0 -1 +fix 1 all nve/sphere + +fix mixwall all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer +fix mixwall all wall/gran/region hertz/history 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer +fix mixwall all wall/gran/region hertz/history 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer +fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 region mixer +fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 region mixer +fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 403.349889202595 0.5 1 region mixer + +fix ins all pour 1000 1 42424 region insreg diam range ${dlo} ${dhi} dens ${density} ${density} +fix ins all pour 1000 1 42424 region insreg diam range 0.6 ${dhi} dens ${density} ${density} +fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens ${density} ${density} +fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens 1 ${density} +fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens 1 1 +Particle insertion: 444 every 84653 steps, 1000 by step 169307 + +#dump 1 all custom ${dumpfreq} ${name}_pour.dump # id type mass diameter x y z + +#dump 2 all image 4000 image.*.jpg type type # axes yes 0.8 0.02 view 60 -30 zoom 1.5 # box no 0.0 axes no 0.0 0.0 +#dump_modify 2 pad 6 + +thermo_style custom step cpu atoms ke v_theta +WARNING: New thermo_style command, previous thermo_modify settings will be lost (../output.cpp:896) +thermo_modify flush yes lost warn + +run 200000 + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + +Your simulation uses code contributions which should be cited: + +- neighbor multi command: doi:10.1016/j.cpc.2008.03.005, doi:10.1007/s40571-020-00361-2 + +@Article{Intveld08, + author = {in 't Veld, P. J. and S. J.~Plimpton and G. S. Grest}, + title = {Accurate and Efficient Methods for Modeling Colloidal + Mixtures in an Explicit Solvent using Molecular Dynamics}, + journal = {Comput.\ Phys.\ Commut.}, + year = 2008, + volume = 179, + pages = {320--329} +} + +@article{Shire2020, + author = {Shire, Tom and Hanley, Kevin J. and Stratford, Kevin}, + title = {{DEM} Simulations of Polydisperse Media: Efficient Contact + Detection Applied to Investigate the Quasi-Static Limit}, + journal = {Computational Particle Mechanics}, + year = {2020} +} + +CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE-CITE + +Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 5.816 | 5.816 | 5.816 Mbytes + Step CPU Atoms KinEng v_theta + 0 0 0 -0 0 + 1000 0.089993907 444 -0 0.015707963 + 2000 0.14885989 444 -0 0.031415927 + 3000 0.20954563 444 -0 0.04712389 + 4000 0.27002257 444 -0 0.062831853 + 5000 0.33034347 444 -0 0.078539816 + 6000 0.39049526 444 -0 0.09424778 + 7000 0.45002664 444 -0 0.10995574 + 8000 0.50911338 444 -0 0.12566371 + 9000 0.56771745 444 -0 0.14137167 + 10000 0.62699472 444 -0 0.15707963 + 11000 0.67300351 444 -0 0.1727876 + 12000 0.71981356 444 -0 0.18849556 + 13000 0.76697682 444 -0 0.20420352 + 14000 0.81412229 444 -0 0.21991149 + 15000 0.86284749 444 -0 0.23561945 + 16000 0.91199522 444 -0 0.25132741 + 17000 0.96230663 444 -0 0.26703538 + 18000 1.0118327 444 -0 0.28274334 + 19000 1.0617397 444 -0 0.2984513 + 20000 1.111586 444 -0 0.31415927 + 21000 1.1556637 444 -0 0.32986723 + 22000 1.2005913 444 -0 0.34557519 + 23000 1.2455061 444 -0 0.36128316 + 24000 1.2910181 444 -0 0.37699112 + 25000 1.3370577 444 -0 0.39269908 + 26000 1.383595 444 -0 0.40840704 + 27000 1.430922 444 -0 0.42411501 + 28000 1.478627 444 -0 0.43982297 + 29000 1.5278607 444 -0 0.45553093 + 30000 1.576597 444 -0 0.4712389 + 31000 1.6202694 444 -0 0.48694686 + 32000 1.6646667 444 -0 0.50265482 + 33000 1.7092726 444 -0 0.51836279 + 34000 1.7535573 444 -0 0.53407075 + 35000 1.7985995 444 -0 0.54977871 + 36000 1.8440346 444 -0 0.56548668 + 37000 1.8900841 444 -0 0.58119464 + 38000 1.9368772 444 -0 0.5969026 + 39000 1.9842867 444 -0 0.61261057 + 40000 2.0318482 444 -0 0.62831853 + 41000 2.0753049 444 -0 0.64402649 + 42000 2.1196274 444 -0 0.65973446 + 43000 2.1647071 444 -0 0.67544242 + 44000 2.2101195 444 -0 0.69115038 + 45000 2.2564642 444 -0 0.70685835 + 46000 2.3033573 444 -0 0.72256631 + 47000 2.3500515 444 -0 0.73827427 + 48000 2.3972268 444 -0 0.75398224 + 49000 2.4444727 444 -0 0.7696902 + 50000 2.4921003 444 -0 0.78539816 + 51000 2.535088 444 -0 0.80110613 + 52000 2.5785564 444 -0 0.81681409 + 53000 2.6221392 444 -0 0.83252205 + 54000 2.6664169 444 -0 0.84823002 + 55000 2.7108951 444 -0 0.86393798 + 56000 2.7560522 444 -0 0.87964594 + 57000 2.8010254 444 -0 0.89535391 + 58000 2.8484456 444 -0 0.91106187 + 59000 2.8951674 444 -0 0.92676983 + 60000 2.9424205 444 -0 0.9424778 + 61000 2.9885999 444 -0 0.95818576 + 62000 3.0338676 444 -0 0.97389372 + 63000 3.0793674 444 -0 0.98960169 + 64000 3.1253557 444 -0 1.0053096 + 65000 3.1723823 444 -0 1.0210176 + 66000 3.2203846 444 -0 1.0367256 + 67000 3.2690443 444 -0 1.0524335 + 68000 3.317707 444 -0 1.0681415 + 69000 3.3670196 444 -0 1.0838495 + 70000 3.4160505 444 -0 1.0995574 + 71000 3.4621197 444 -0 1.1152654 + 72000 3.5086434 444 -0 1.1309734 + 73000 3.555691 444 -0 1.1466813 + 74000 3.6032072 444 -0 1.1623893 + 75000 3.6514849 444 -0 1.1780972 + 76000 3.7002713 444 -0 1.1938052 + 77000 3.7497321 444 -0 1.2095132 + 78000 3.7997711 444 -0 1.2252211 + 79000 3.8504338 444 -0 1.2409291 + 80000 3.9020416 444 -0 1.2566371 + 81000 3.9496762 444 -0 1.272345 + 82000 3.9968215 444 -0 1.288053 + 83000 4.04496 444 -0 1.303761 + 84000 4.0936477 444 -0 1.3194689 + 85000 4.1618384 888 -0 1.3351769 + 86000 4.2472086 888 -0 1.3508848 + 87000 4.3322855 888 -0 1.3665928 + 88000 4.4169835 888 -0 1.3823008 + 89000 4.5014588 888 -0 1.3980087 + 90000 4.5861842 888 -0 1.4137167 + 91000 4.653654 888 -0 1.4294247 + 92000 4.7217642 888 -0 1.4451326 + 93000 4.791842 888 -0 1.4608406 + 94000 4.8601789 888 -0 1.4765485 + 95000 4.92849 888 -0 1.4922565 + 96000 4.9976811 888 -0 1.5079645 + 97000 5.0687073 888 -0 1.5236724 + 98000 5.1387234 888 -0 1.5393804 + 99000 5.2086037 888 -0 1.5550884 + 100000 5.2786924 888 -0 1.5707963 + 101000 5.3466895 888 -0 1.5865043 + 102000 5.417132 888 -0 1.6022123 + 103000 5.4865633 888 -0 1.6179202 + 104000 5.5565911 888 -0 1.6336282 + 105000 5.6266394 888 -0 1.6493361 + 106000 5.6975394 888 -0 1.6650441 + 107000 5.7687753 888 -0 1.6807521 + 108000 5.8408498 888 -0 1.69646 + 109000 5.9132618 888 -0 1.712168 + 110000 5.9872629 888 -0 1.727876 + 111000 6.0588115 888 -0 1.7435839 + 112000 6.1308729 888 -0 1.7592919 + 113000 6.2047311 888 -0 1.7749998 + 114000 6.2780757 888 -0 1.7907078 + 115000 6.3528542 888 -0 1.8064158 + 116000 6.4277704 888 -0 1.8221237 + 117000 6.5034683 888 -0 1.8378317 + 118000 6.5795779 888 -0 1.8535397 + 119000 6.655928 888 -0 1.8692476 + 120000 6.7335119 888 -0 1.8849556 + 121000 6.806827 888 -0 1.9006636 + 122000 6.881052 888 -0 1.9163715 + 123000 6.9559647 888 -0 1.9320795 + 124000 7.0300829 888 -0 1.9477874 + 125000 7.1047925 888 -0 1.9634954 + 126000 7.1797025 888 -0 1.9792034 + 127000 7.2556934 888 -0 1.9949113 + 128000 7.3317803 888 -0 2.0106193 + 129000 7.4088096 888 -0 2.0263273 + 130000 7.4862461 888 -0 2.0420352 + 131000 7.5633585 888 -0 2.0577432 + 132000 7.641939 888 -0 2.0734512 + 133000 7.7192741 888 -0 2.0891591 + 134000 7.7970156 888 -0 2.1048671 + 135000 7.8760712 888 -0 2.120575 + 136000 7.9563099 888 -0 2.136283 + 137000 8.0381808 888 -0 2.151991 + 138000 8.1210957 888 -0 2.1676989 + 139000 8.20401 888 -0 2.1834069 + 140000 8.2871705 888 -0 2.1991149 + 141000 8.364321 888 -0 2.2148228 + 142000 8.4426744 888 -0 2.2305308 + 143000 8.5238377 888 -0 2.2462387 + 144000 8.6050517 888 -0 2.2619467 + 145000 8.6865872 888 -0 2.2776547 + 146000 8.767621 888 -0 2.2933626 + 147000 8.8496616 888 -0 2.3090706 + 148000 8.9329599 888 -0 2.3247786 + 149000 9.0165929 888 -0 2.3404865 + 150000 9.1015214 888 -0 2.3561945 + 151000 9.1847289 888 -0 2.3719025 + 152000 9.2689185 888 -0 2.3876104 + 153000 9.3518862 888 -0 2.4033184 + 154000 9.4367057 888 -0 2.4190263 + 155000 9.5227466 888 -0 2.4347343 + 156000 9.6087196 888 -0 2.4504423 + 157000 9.6955661 888 -0 2.4661502 + 158000 9.7838227 888 -0 2.4818582 + 159000 9.8731804 888 -0 2.4975662 + 160000 9.9626648 888 -0 2.5132741 + 161000 10.050473 888 -0 2.5289821 + 162000 10.137725 888 -0 2.54469 + 163000 10.227259 888 -0 2.560398 + 164000 10.318501 888 -0 2.576106 + 165000 10.409218 888 -0 2.5918139 + 166000 10.502055 888 -0 2.6075219 + 167000 10.593786 888 -0 2.6232299 + 168000 10.688536 888 -0 2.6389378 + 169000 10.786033 888 -0 2.6546458 + 170000 10.886377 1000 -0 2.6703538 + 171000 10.987493 1000 -0 2.6860617 + 172000 11.084584 1000 -0 2.7017697 + 173000 11.181502 1000 -0 2.7174776 + 174000 11.28434 1000 -0 2.7331856 + 175000 11.387838 1000 -0 2.7488936 + 176000 11.490915 1000 -0 2.7646015 + 177000 11.595473 1000 -0 2.7803095 + 178000 11.699823 1000 -0 2.7960175 + 179000 11.803927 1000 -0 2.8117254 + 180000 11.90548 1000 -0 2.8274334 + 181000 12.00857 1000 -0 2.8431414 + 182000 12.112787 1000 -0 2.8588493 + 183000 12.217943 1000 -0 2.8745573 + 184000 12.322668 1000 -0 2.8902652 + 185000 12.428332 1000 -0 2.9059732 + 186000 12.535414 1000 -0 2.9216812 + 187000 12.642404 1000 -0 2.9373891 + 188000 12.749332 1000 -0 2.9530971 + 189000 12.856872 1000 -0 2.9688051 + 190000 12.965335 1000 -0 2.984513 + 191000 13.073275 1000 -0 3.000221 + 192000 13.180122 1000 -0 3.0159289 + 193000 13.288112 1000 -0 3.0316369 + 194000 13.394688 1000 -0 3.0473449 + 195000 13.501251 1000 -0 3.0630528 + 196000 13.607472 1000 -0 3.0787608 + 197000 13.71396 1000 -0 3.0944688 + 198000 13.821133 1000 -0 3.1101767 + 199000 13.929192 1000 -0 3.1258847 + 200000 14.036724 1000 -0 3.1415927 +Loop time of 14.0368 on 4 procs for 200000 steps with 1000 atoms + +Performance: 58169.166 tau/day, 14248.307 timesteps/s, 14.248 Matom-step/s +95.5% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.47004 | 0.75698 | 1.1 | 33.1 | 5.39 +Neigh | 0.0078501 | 0.010659 | 0.013902 | 2.7 | 0.08 +Comm | 3.9589 | 4.4102 | 4.9322 | 21.6 | 31.42 +Output | 0.0031054 | 0.0046208 | 0.0069341 | 2.1 | 0.03 +Modify | 6.1829 | 6.8363 | 7.6135 | 24.8 | 48.70 +Other | | 2.018 | | | 14.38 + +Nlocal: 250 ave 260 max 242 min +Histogram: 1 0 1 0 0 1 0 0 0 1 +Nghost: 279.25 ave 325 max 232 min +Histogram: 1 1 0 0 0 0 0 0 1 1 +Neighs: 939.75 ave 1397 max 509 min +Histogram: 2 0 0 0 0 0 0 0 0 2 + +Total # of neighbors = 3759 +Ave neighs/atom = 3.759 +Neighbor list builds = 201 +Dangerous builds = 0 +unfix ins +run 200000 +Generated 0 of 0 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 11.87 | 11.88 | 11.89 Mbytes + Step CPU Atoms KinEng v_theta + 200000 0 1000 1.0071568 3.1415927 + 201000 0.099357585 1000 1.0036239 3.1573006 + 202000 0.19922889 1000 0.99846844 3.1730086 + 203000 0.29896537 1000 0.98236169 3.1887165 + 204000 0.39875771 1000 0.98625572 3.2044245 + 205000 0.49759454 1000 0.9893407 3.2201325 + 206000 0.59609243 1000 1.0012123 3.2358404 + 207000 0.69408206 1000 1.0231892 3.2515484 + 208000 0.79216806 1000 1.0265912 3.2672564 + 209000 0.8902274 1000 1.0190202 3.2829643 + 210000 0.98909509 1000 1.0267754 3.2986723 + 211000 1.0882901 1000 1.0186847 3.3143802 + 212000 1.1895753 1000 1.0159848 3.3300882 + 213000 1.2891277 1000 0.99326329 3.3457962 + 214000 1.387486 1000 0.97263135 3.3615041 + 215000 1.4850078 1000 0.97246409 3.3772121 + 216000 1.58405 1000 0.96000626 3.3929201 + 217000 1.6853829 1000 0.95730432 3.408628 + 218000 1.7911163 1000 0.95605591 3.424336 + 219000 1.8974141 1000 0.94983 3.440044 + 220000 2.0029829 1000 0.95291888 3.4557519 + 221000 2.108723 1000 0.93612997 3.4714599 + 222000 2.2151561 1000 0.93414081 3.4871678 + 223000 2.3220866 1000 0.93321246 3.5028758 + 224000 2.4285504 1000 0.93026943 3.5185838 + 225000 2.5356173 1000 0.930478 3.5342917 + 226000 2.6415516 1000 0.92909096 3.5499997 + 227000 2.747634 1000 0.92308495 3.5657077 + 228000 2.8524082 1000 0.91075986 3.5814156 + 229000 2.9570172 1000 0.9006662 3.5971236 + 230000 3.0627535 1000 0.88869212 3.6128316 + 231000 3.1683919 1000 0.8877611 3.6285395 + 232000 3.2749534 1000 0.89409636 3.6442475 + 233000 3.3824185 1000 0.90866091 3.6599554 + 234000 3.4917899 1000 0.90454601 3.6756634 + 235000 3.6009156 1000 0.89408327 3.6913714 + 236000 3.7111309 1000 0.8881044 3.7070793 + 237000 3.8197619 1000 0.89322168 3.7227873 + 238000 3.9302291 1000 0.89018045 3.7384953 + 239000 4.0407242 1000 0.88771268 3.7542032 + 240000 4.1521989 1000 0.88957717 3.7699112 + 241000 4.2639861 1000 0.89362036 3.7856191 + 242000 4.3782856 1000 0.90967472 3.8013271 + 243000 4.4925107 1000 0.91366381 3.8170351 + 244000 4.6057342 1000 0.9150959 3.832743 + 245000 4.7199383 1000 0.92725789 3.848451 + 246000 4.8346784 1000 0.93024722 3.864159 + 247000 4.9515438 1000 0.93297974 3.8798669 + 248000 5.0696512 1000 0.94755869 3.8955749 + 249000 5.1838845 1000 0.94761679 3.9112829 + 250000 5.297991 1000 0.92701064 3.9269908 + 251000 5.412562 1000 0.91365252 3.9426988 + 252000 5.5274859 1000 0.90918381 3.9584067 + 253000 5.6418647 1000 0.90612685 3.9741147 + 254000 5.7593721 1000 0.90352142 3.9898227 + 255000 5.8759086 1000 0.90421567 4.0055306 + 256000 5.993588 1000 0.90024688 4.0212386 + 257000 6.1142027 1000 0.88540341 4.0369466 + 258000 6.2318882 1000 0.87890423 4.0526545 + 259000 6.3502765 1000 0.86833748 4.0683625 + 260000 6.4677878 1000 0.85465694 4.0840704 + 261000 6.5875341 1000 0.83941242 4.0997784 + 262000 6.7063481 1000 0.81790404 4.1154864 + 263000 6.8249742 1000 0.82284562 4.1311943 + 264000 6.9421188 1000 0.80961447 4.1469023 + 265000 7.0588866 1000 0.80567073 4.1626103 + 266000 7.1763855 1000 0.79577448 4.1783182 + 267000 7.295632 1000 0.78489106 4.1940262 + 268000 7.4144463 1000 0.77348757 4.2097342 + 269000 7.5333839 1000 0.76606696 4.2254421 + 270000 7.6527119 1000 0.7649744 4.2411501 + 271000 7.7704222 1000 0.76050309 4.256858 + 272000 7.8903012 1000 0.75378759 4.272566 + 273000 8.0106197 1000 0.75633811 4.288274 + 274000 8.1309707 1000 0.75703106 4.3039819 + 275000 8.2522837 1000 0.75227453 4.3196899 + 276000 8.3730898 1000 0.76003902 4.3353979 + 277000 8.4955037 1000 0.76274661 4.3511058 + 278000 8.6153206 1000 0.75888482 4.3668138 + 279000 8.7339569 1000 0.75071875 4.3825218 + 280000 8.8515447 1000 0.75454927 4.3982297 + 281000 8.9685253 1000 0.75617824 4.4139377 + 282000 9.0856168 1000 0.75230835 4.4296456 + 283000 9.2018894 1000 0.75417571 4.4453536 + 284000 9.3179777 1000 0.74559345 4.4610616 + 285000 9.4341721 1000 0.73274661 4.4767695 + 286000 9.5498722 1000 0.72385193 4.4924775 + 287000 9.6651326 1000 0.72398899 4.5081855 + 288000 9.7810274 1000 0.72009027 4.5238934 + 289000 9.8959471 1000 0.72026686 4.5396014 + 290000 10.010007 1000 0.72330145 4.5553093 + 291000 10.123304 1000 0.71630656 4.5710173 + 292000 10.238277 1000 0.71089192 4.5867253 + 293000 10.351465 1000 0.70584923 4.6024332 + 294000 10.464794 1000 0.71350398 4.6181412 + 295000 10.57818 1000 0.72781836 4.6338492 + 296000 10.692249 1000 0.72285512 4.6495571 + 297000 10.80741 1000 0.71649517 4.6652651 + 298000 10.923694 1000 0.71132209 4.6809731 + 299000 11.039173 1000 0.73602072 4.696681 + 300000 11.157002 1000 0.74400837 4.712389 + 301000 11.272462 1000 0.76618562 4.7280969 + 302000 11.386581 1000 0.77476041 4.7438049 + 303000 11.499191 1000 0.77124283 4.7595129 + 304000 11.611585 1000 0.7625748 4.7752208 + 305000 11.725012 1000 0.74979361 4.7909288 + 306000 11.838032 1000 0.74515733 4.8066368 + 307000 11.949194 1000 0.74302741 4.8223447 + 308000 12.060586 1000 0.73732959 4.8380527 + 309000 12.171445 1000 0.73368237 4.8537606 + 310000 12.283518 1000 0.72374292 4.8694686 + 311000 12.393447 1000 0.72107784 4.8851766 + 312000 12.505136 1000 0.72944426 4.9008845 + 313000 12.616959 1000 0.73958637 4.9165925 + 314000 12.730312 1000 0.75160847 4.9323005 + 315000 12.846163 1000 0.74419683 4.9480084 + 316000 12.960328 1000 0.74652593 4.9637164 + 317000 13.073994 1000 0.74933482 4.9794244 + 318000 13.186549 1000 0.74200509 4.9951323 + 319000 13.296925 1000 0.7346024 5.0108403 + 320000 13.406825 1000 0.72806145 5.0265482 + 321000 13.51703 1000 0.72147888 5.0422562 + 322000 13.628261 1000 0.71460041 5.0579642 + 323000 13.74063 1000 0.70255075 5.0736721 + 324000 13.853826 1000 0.70640327 5.0893801 + 325000 13.968533 1000 0.70643428 5.1050881 + 326000 14.081456 1000 0.69751794 5.120796 + 327000 14.195505 1000 0.69035108 5.136504 + 328000 14.310048 1000 0.68068243 5.152212 + 329000 14.426048 1000 0.69123492 5.1679199 + 330000 14.543349 1000 0.70326515 5.1836279 + 331000 14.662021 1000 0.70551726 5.1993358 + 332000 14.782194 1000 0.70514444 5.2150438 + 333000 14.901573 1000 0.71102045 5.2307518 + 334000 15.020642 1000 0.71336747 5.2464597 + 335000 15.136739 1000 0.70816388 5.2621677 + 336000 15.252554 1000 0.69502472 5.2778757 + 337000 15.368496 1000 0.69314289 5.2935836 + 338000 15.483744 1000 0.68565794 5.3092916 + 339000 15.599584 1000 0.67268053 5.3249995 + 340000 15.717342 1000 0.68313196 5.3407075 + 341000 15.835594 1000 0.68782815 5.3564155 + 342000 15.954546 1000 0.6989326 5.3721234 + 343000 16.074184 1000 0.694926 5.3878314 + 344000 16.193902 1000 0.7006474 5.4035394 + 345000 16.314878 1000 0.70783177 5.4192473 + 346000 16.434704 1000 0.71334276 5.4349553 + 347000 16.554708 1000 0.72917419 5.4506633 + 348000 16.673034 1000 0.74315705 5.4663712 + 349000 16.791269 1000 0.76731311 5.4820792 + 350000 16.912554 1000 0.79761434 5.4977871 + 351000 17.03323 1000 0.80447724 5.5134951 + 352000 17.155644 1000 0.80118728 5.5292031 + 353000 17.281134 1000 0.77990459 5.544911 + 354000 17.406672 1000 0.76453299 5.560619 + 355000 17.532346 1000 0.76538392 5.576327 + 356000 17.657256 1000 0.76310698 5.5920349 + 357000 17.782477 1000 0.75897095 5.6077429 + 358000 17.909642 1000 0.75071115 5.6234508 + 359000 18.035032 1000 0.74034801 5.6391588 + 360000 18.160696 1000 0.72671924 5.6548668 + 361000 18.285089 1000 0.72111017 5.6705747 + 362000 18.408849 1000 0.71875181 5.6862827 + 363000 18.533901 1000 0.71469706 5.7019907 + 364000 18.659326 1000 0.70470493 5.7176986 + 365000 18.784109 1000 0.70863047 5.7334066 + 366000 18.911344 1000 0.70850561 5.7491146 + 367000 19.039756 1000 0.71413452 5.7648225 + 368000 19.169907 1000 0.71314184 5.7805305 + 369000 19.299066 1000 0.71309549 5.7962384 + 370000 19.428116 1000 0.71132937 5.8119464 + 371000 19.553027 1000 0.70788039 5.8276544 + 372000 19.678121 1000 0.71780071 5.8433623 + 373000 19.804465 1000 0.72352571 5.8590703 + 374000 19.92949 1000 0.71723739 5.8747783 + 375000 20.053554 1000 0.71556941 5.8904862 + 376000 20.177991 1000 0.70935312 5.9061942 + 377000 20.301972 1000 0.71551157 5.9219022 + 378000 20.427612 1000 0.7235163 5.9376101 + 379000 20.554742 1000 0.73896421 5.9533181 + 380000 20.680899 1000 0.74906169 5.969026 + 381000 20.805515 1000 0.75303336 5.984734 + 382000 20.931483 1000 0.75359492 6.000442 + 383000 21.05731 1000 0.75579354 6.0161499 + 384000 21.184712 1000 0.75178368 6.0318579 + 385000 21.310667 1000 0.74412159 6.0475659 + 386000 21.433509 1000 0.7360955 6.0632738 + 387000 21.554251 1000 0.73461103 6.0789818 + 388000 21.674477 1000 0.72496617 6.0946897 + 389000 21.794698 1000 0.7219047 6.1103977 + 390000 21.914083 1000 0.71837013 6.1261057 + 391000 22.033188 1000 0.71495923 6.1418136 + 392000 22.152689 1000 0.71436707 6.1575216 + 393000 22.271183 1000 0.71447834 6.1732296 + 394000 22.389775 1000 0.71334298 6.1889375 + 395000 22.509106 1000 0.71510229 6.2046455 + 396000 22.628068 1000 0.7121714 6.2203535 + 397000 22.746926 1000 0.70818894 6.2360614 + 398000 22.865086 1000 0.70059455 6.2517694 + 399000 22.982394 1000 0.69960089 6.2674773 + 400000 23.100381 1000 0.70261998 6.2831853 +Loop time of 23.1004 on 4 procs for 200000 steps with 1000 atoms + +Performance: 35345.963 tau/day, 8657.854 timesteps/s, 8.658 Matom-step/s +92.9% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 1.263 | 2.1388 | 3.0295 | 58.6 | 9.26 +Neigh | 0.012633 | 0.017793 | 0.023147 | 3.7 | 0.08 +Comm | 7.8521 | 9.0474 | 10.284 | 39.6 | 39.17 +Output | 0.0029549 | 0.004916 | 0.0068506 | 2.0 | 0.02 +Modify | 8.3635 | 9.8066 | 11.142 | 41.0 | 42.45 +Other | | 2.085 | | | 9.03 + +Nlocal: 250 ave 258 max 241 min +Histogram: 1 0 0 0 1 0 0 1 0 1 +Nghost: 412 ave 492 max 332 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Neighs: 1258.5 ave 1588 max 953 min +Histogram: 2 0 0 0 0 0 0 0 1 1 + +Total # of neighbors = 5034 +Ave neighs/atom = 5.034 +Neighbor list builds = 159 +Dangerous builds = 0 +Total wall time: 0:00:37 diff --git a/examples/granregion/log.27Nov18.granregion.box.g++.1 b/examples/granregion/log.27Nov18.granregion.box.g++.1 deleted file mode 100644 index ef004b7398..0000000000 --- a/examples/granregion/log.27Nov18.granregion.box.g++.1 +++ /dev/null @@ -1,475 +0,0 @@ -LAMMPS (27 Nov 2018) -OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87) - using 1 OpenMP thread(s) per MPI task -# pouring spheres into container box - -units lj -atom_style sphere -boundary f f f -dimension 3 -comm_modify vel yes - -region box block -10 10 -10 10 -10 10 units box -create_box 2 box -Created orthogonal box = (-10 -10 -10) to (10 10 10) - 1 by 1 by 1 MPI processor grid - -pair_style hybrid gran/hooke 4000.0 NULL 100.0 NULL 0.5 1 -pair_coeff * * gran/hooke - -region container block -6 6 -6 6 -6 6 units box -fix container all wall/gran/region hooke/history 4000.0 NULL 100.0 NULL 0.5 1 region container - -neighbor 0.3 bin -neigh_modify delay 0 every 1 check yes - -fix 2 all nve/sphere -fix 3 all gravity 1.0 vector 0 0 -1 - -region slab block -2 2 -2 2 -2 2 units box -fix ins all pour 100 2 4767548 vol 0.4 10 diam one 1.0 region slab ignore -Particle insertion: 48 every 566 steps, 100 by step 1133 - -timestep 0.005 - -compute 1 all temp -compute_modify 1 dynamic/dof yes - -compute 2 all temp/sphere -compute_modify 2 dynamic/dof yes - -thermo 100 -thermo_style custom step atoms temp c_1 c_2 press -thermo_modify lost ignore -compute_modify thermo_temp dynamic/dof yes - -#dump 2 all image 100 image.*.jpg type type # zoom 1.4 adiam 1.0 box no 0.0 axes yes 0.9 0.03 -#dump_modify 2 pad 5 - -run 5000 -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 = 1.3 - binsize = 0.65, bins = 31 31 31 - 1 neighbor lists, perpetual/occasional/extra = 1 0 0 - (1) pair gran/hooke, perpetual - attributes: half, newton on, size - pair build: half/size/bin/newton - stencil: half/bin/3d/newton - bin: standard -Per MPI rank memory allocation (min/avg/max) = 0.5855 | 0.5855 | 0.5855 Mbytes -Step Atoms Temp c_1 c_2 Press - 0 0 0 0 0 0 - 100 21 0.54270729 0.54270729 0.26473526 0.0013567682 - 200 21 0.87606961 0.87606961 0.42735103 0.002190174 - 300 21 1.1428374 1.1428374 0.55748167 0.0028570936 - 400 21 1.3543103 1.3543103 0.66829516 0.0033857758 - 500 21 1.0677786 1.0677786 0.53582407 0.0045048164 - 600 56 0.6744286 0.6744286 0.3502938 0.0047464584 - 700 56 0.75569283 0.75569283 0.39779462 0.0051953882 - 800 56 0.61597505 0.61597505 0.32943642 0.0086022783 - 900 56 0.65260802 0.65260802 0.34474044 0.0059298996 - 1000 56 0.51624952 0.51624952 0.28326898 0.0067827337 - 1100 56 0.46050076 0.46050076 0.25656319 0.0061891094 - 1200 81 0.39112346 0.39112346 0.21690172 0.0086559316 - 1300 81 0.33302617 0.33302617 0.19109398 0.0033381104 - 1400 81 0.3933533 0.3933533 0.21221692 0.004135078 - 1500 81 0.35495297 0.35495297 0.19925984 0.0037374946 - 1600 81 0.34150606 0.34150606 0.19025811 0.0053492835 - 1700 100 0.2561647 0.2561647 0.14186278 0.0090767057 - 1800 100 0.21124278 0.21124278 0.12154878 0.0028545759 - 1900 100 0.21793955 0.21793955 0.12173867 0.0029049155 - 2000 100 0.25530858 0.25530858 0.13892272 0.0035528009 - 2100 100 0.24671808 0.24671808 0.13687783 0.0076812435 - 2200 100 0.22465216 0.22465216 0.12513603 0.0042528715 - 2300 100 0.19362854 0.19362854 0.10914305 0.0061173739 - 2400 100 0.061627608 0.061627608 0.045907717 0.0010422721 - 2500 100 0.052700901 0.052700901 0.038883014 0.0019341647 - 2600 100 0.037332018 0.037332018 0.028357146 0.0028364476 - 2700 100 0.033526602 0.033526602 0.024609055 0.00044524562 - 2800 100 0.0194148 0.0194148 0.014491377 0.00056526591 - 2900 100 0.012346108 0.012346108 0.009857017 0.00081855699 - 3000 100 0.0107344 0.0107344 0.008669364 0.00040371396 - 3100 100 0.0092678291 0.0092678291 0.0073003108 0.00033287397 - 3200 100 0.0085847001 0.0085847001 0.0064045591 0.00023253547 - 3300 100 0.0049475182 0.0049475182 0.0041173627 0.00019876269 - 3400 100 0.0030471097 0.0030471097 0.0026940466 0.00013462604 - 3500 100 0.0031188371 0.0031188371 0.002612223 0.00026148578 - 3600 100 0.0017616584 0.0017616584 0.0017464137 0.00019049724 - 3700 100 0.0015475923 0.0015475923 0.0015560356 0.00025062814 - 3800 100 0.0012547887 0.0012547887 0.0012622678 0.00014132236 - 3900 100 0.0010047282 0.0010047282 0.0010379262 9.7665594e-05 - 4000 100 0.00080895307 0.00080895307 0.00088263027 8.1278842e-05 - 4100 100 0.00079078739 0.00079078739 0.00085810727 8.1271694e-05 - 4200 100 0.00075192318 0.00075192318 0.00083085046 8.9352453e-05 - 4300 100 0.00063546457 0.00063546457 0.00073222177 8.9264255e-05 - 4400 100 0.00062398391 0.00062398391 0.00071312118 8.4200615e-05 - 4500 100 0.00056464934 0.00056464934 0.00066087801 9.2097641e-05 - 4600 100 0.00066951894 0.00066951894 0.00071633313 8.2457941e-05 - 4700 100 0.001128837 0.001128837 0.00095293877 0.00011716361 - 4800 100 0.00049580391 0.00049580391 0.00056710488 0.00010718794 - 4900 100 0.00054374371 0.00054374371 0.00058671699 5.6580257e-05 - 5000 100 0.00043016232 0.00043016232 0.00050264172 2.8640786e-05 -Loop time of 0.0807264 on 1 procs for 5000 steps with 100 atoms - -Performance: 26757050.955 tau/day, 61937.618 timesteps/s -97.4% CPU use with 1 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.0089066 | 0.0089066 | 0.0089066 | 0.0 | 11.03 -Neigh | 0.017107 | 0.017107 | 0.017107 | 0.0 | 21.19 -Comm | 0.00091505 | 0.00091505 | 0.00091505 | 0.0 | 1.13 -Output | 0.00051451 | 0.00051451 | 0.00051451 | 0.0 | 0.64 -Modify | 0.047671 | 0.047671 | 0.047671 | 0.0 | 59.05 -Other | | 0.005612 | | | 6.95 - -Nlocal: 100 ave 100 max 100 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: 158 ave 158 max 158 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 158 -Ave neighs/atom = 1.58 -Neighbor list builds = 310 -Dangerous builds = 0 - -region container delete -variable theta equal (step-5000)*(4.0*PI/5000) -region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 0 0 1 -run 5000 -Per MPI rank memory allocation (min/avg/max) = 5.836 | 5.836 | 5.836 Mbytes -Step Atoms Temp c_1 c_2 Press - 5000 100 0.00043016232 0.00043016232 0.00050264172 2.8677624e-05 - 5100 100 0.56489668 0.56489668 0.31137762 0.011848041 - 5200 100 0.66068288 0.66068288 0.35915482 0.010199755 - 5300 100 0.74068022 0.74068022 0.39643217 0.010806409 - 5400 100 0.80913562 0.80913562 0.42748505 0.01190892 - 5500 100 0.89409135 0.89409135 0.46135116 0.013093474 - 5600 100 0.97585093 0.97585093 0.50021126 0.013588886 - 5700 100 1.0151954 1.0151954 0.5174624 0.01601347 - 5800 100 1.0452728 1.0452728 0.53122496 0.01879329 - 5900 100 1.0881689 1.0881689 0.55152229 0.017120714 - 6000 100 1.1133186 1.1133186 0.5638022 0.017284617 - 6100 100 1.1532099 1.1532099 0.58310076 0.017031384 - 6200 100 1.1798849 1.1798849 0.5959516 0.017971323 - 6300 100 1.19387 1.19387 0.60173877 0.020140984 - 6400 100 1.2126705 1.2126705 0.61086899 0.018426638 - 6500 100 1.2137646 1.2137646 0.61284198 0.019127381 - 6600 100 1.2339012 1.2339012 0.62199324 0.019378799 - 6700 100 1.2439326 1.2439326 0.62488425 0.021049447 - 6800 100 1.2489549 1.2489549 0.6278167 0.019552409 - 6900 100 1.2733303 1.2733303 0.63898149 0.020237284 - 7000 100 1.2835029 1.2835029 0.6440245 0.020798586 - 7100 100 1.2866111 1.2866111 0.64522896 0.020355019 - 7200 100 1.2886381 1.2886381 0.6467497 0.02062322 - 7300 100 1.2885085 1.2885085 0.64617988 0.020350755 - 7400 100 1.2912349 1.2912349 0.64691898 0.020197503 - 7500 100 1.2963062 1.2963062 0.64926335 0.020349791 - 7600 100 1.3016488 1.3016488 0.65150178 0.021001457 - 7700 100 1.3009311 1.3009311 0.65106234 0.021546471 - 7800 100 1.3016987 1.3016987 0.65143099 0.020994967 - 7900 100 1.3028811 1.3028811 0.65164558 0.022200425 - 8000 100 1.3087855 1.3087855 0.65439023 0.021310808 - 8100 100 1.3102001 1.3102001 0.65514941 0.021177764 - 8200 100 1.3133931 1.3133931 0.65681861 0.021591267 - 8300 100 1.3148898 1.3148898 0.65775353 0.021335384 - 8400 100 1.3160355 1.3160355 0.65845913 0.021238095 - 8500 100 1.3171797 1.3171797 0.65934185 0.021172983 - 8600 100 1.3176785 1.3176785 0.65964311 0.020747457 - 8700 100 1.3180425 1.3180425 0.66019624 0.021275913 - 8800 100 1.3287501 1.3287501 0.66444242 0.021832635 - 8900 100 1.3249847 1.3249847 0.6625848 0.021337451 - 9000 100 1.326216 1.326216 0.66297827 0.021470663 - 9100 100 1.3261662 1.3261662 0.66303852 0.021423573 - 9200 100 1.3312132 1.3312132 0.6653609 0.021385943 - 9300 100 1.3300976 1.3300976 0.66504574 0.021489888 - 9400 100 1.3377335 1.3377335 0.66820989 0.021565001 - 9500 100 1.3421956 1.3421956 0.67027168 0.022402346 - 9600 100 1.3464217 1.3464217 0.67228206 0.021991922 - 9700 100 1.3470623 1.3470623 0.67258349 0.022035729 - 9800 100 1.3446725 1.3446725 0.67135725 0.022295251 - 9900 100 1.343146 1.343146 0.67066672 0.022049041 - 10000 100 1.3435397 1.3435397 0.67093067 0.022451365 -Loop time of 0.247549 on 1 procs for 5000 steps with 100 atoms - -Performance: 8725560.044 tau/day, 20198.056 timesteps/s -99.4% CPU use with 1 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.031783 | 0.031783 | 0.031783 | 0.0 | 12.84 -Neigh | 0.038383 | 0.038383 | 0.038383 | 0.0 | 15.51 -Comm | 0.0012343 | 0.0012343 | 0.0012343 | 0.0 | 0.50 -Output | 0.00056028 | 0.00056028 | 0.00056028 | 0.0 | 0.23 -Modify | 0.1687 | 0.1687 | 0.1687 | 0.0 | 68.15 -Other | | 0.00689 | | | 2.78 - -Nlocal: 100 ave 100 max 100 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: 199 ave 199 max 199 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 199 -Ave neighs/atom = 1.99 -Neighbor list builds = 621 -Dangerous builds = 0 - -region container delete -region container block -6 6 -6 6 -6 6 units box -run 5000 -Per MPI rank memory allocation (min/avg/max) = 5.836 | 5.836 | 5.836 Mbytes -Step Atoms Temp c_1 c_2 Press - 10000 100 1.3435397 1.3435397 0.67093067 0.022411116 - 10100 100 0.31352763 0.31352763 0.18877908 0.01321582 - 10200 100 0.13367611 0.13367611 0.090010637 0.0074171016 - 10300 100 0.068195658 0.068195658 0.052632714 0.0019696287 - 10400 100 0.053814936 0.053814936 0.043037586 0.0017121584 - 10500 100 0.04032072 0.04032072 0.032944572 0.0011809154 - 10600 100 0.029178161 0.029178161 0.023951873 0.0007804529 - 10700 100 0.025978206 0.025978206 0.021045025 0.00099531465 - 10800 100 0.023205036 0.023205036 0.01898502 0.00040036401 - 10900 100 0.019994638 0.019994638 0.016451227 0.00027385559 - 11000 100 0.017838131 0.017838131 0.014730762 0.00040399762 - 11100 100 0.014863196 0.014863196 0.012314308 0.00019097464 - 11200 100 0.012131256 0.012131256 0.010102122 0.00018514926 - 11300 100 0.010881385 0.010881385 0.0090013541 0.00016579157 - 11400 100 0.0076519814 0.0076519814 0.0064604568 0.00035399997 - 11500 100 0.0067507315 0.0067507315 0.0057378868 0.00049116726 - 11600 100 0.0053146649 0.0053146649 0.0047005938 0.00019625233 - 11700 100 0.0044162463 0.0044162463 0.0039534657 0.00012548039 - 11800 100 0.0037025387 0.0037025387 0.0033604103 6.2969827e-05 - 11900 100 0.0032632211 0.0032632211 0.0030406641 8.1600622e-05 - 12000 100 0.0028944057 0.0028944057 0.0026875858 6.6435833e-05 - 12100 100 0.0027644728 0.0027644728 0.0025859762 5.5899271e-05 - 12200 100 0.002480367 0.002480367 0.0023685117 6.0201418e-05 - 12300 100 0.0024136475 0.0024136475 0.0023107986 4.4386874e-05 - 12400 100 0.0021911567 0.0021911567 0.0021413262 5.0213175e-05 - 12500 100 0.0019775905 0.0019775905 0.0019927698 0.00035250097 - 12600 100 0.0017410363 0.0017410363 0.001830428 5.7885177e-05 - 12700 100 0.0015749276 0.0015749276 0.0016816771 4.5530192e-05 - 12800 100 0.0015187705 0.0015187705 0.0016218625 4.0589413e-05 - 12900 100 0.0014778376 0.0014778376 0.001580232 4.0085455e-05 - 13000 100 0.0014693491 0.0014693491 0.0015681809 4.0407656e-05 - 13100 100 0.0014434495 0.0014434495 0.0015356278 5.7849212e-05 - 13200 100 0.0014121959 0.0014121959 0.0015058758 3.2720737e-05 - 13300 100 0.0012876041 0.0012876041 0.0013838998 3.7725702e-05 - 13400 100 0.0012304951 0.0012304951 0.0013373457 3.6784546e-05 - 13500 100 0.0011954303 0.0011954303 0.0012877627 3.6584963e-05 - 13600 100 0.0011028947 0.0011028947 0.0011955404 2.3767582e-05 - 13700 100 0.0010611762 0.0010611762 0.0011504675 3.485879e-05 - 13800 100 0.0010080835 0.0010080835 0.0010997919 3.7905404e-05 - 13900 100 0.00096495712 0.00096495712 0.0010530767 3.5273885e-05 - 14000 100 0.00094945029 0.00094945029 0.0010409175 3.3718395e-05 - 14100 100 0.00092386757 0.00092386757 0.0010217415 3.3313256e-05 - 14200 100 0.00088928389 0.00088928389 0.000983023 3.290941e-05 - 14300 100 0.00082696485 0.00082696485 0.00092690771 3.1651431e-05 - 14400 100 0.00081086188 0.00081086188 0.00091681096 3.1845632e-05 - 14500 100 0.00077732305 0.00077732305 0.00087592983 4.8087361e-05 - 14600 100 0.00073386005 0.00073386005 0.00082546873 3.0892065e-05 - 14700 100 0.00068701098 0.00068701098 0.00075953521 0.00010208859 - 14800 100 0.00065860451 0.00065860451 0.00073738846 2.9272912e-05 - 14900 100 0.00064706564 0.00064706564 0.00072748391 2.9817955e-05 - 15000 100 0.00064227996 0.00064227996 0.00070964586 3.2547768e-05 -Loop time of 0.0840213 on 1 procs for 5000 steps with 100 atoms - -Performance: 25707757.817 tau/day, 59508.699 timesteps/s -98.2% CPU use with 1 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.01004 | 0.01004 | 0.01004 | 0.0 | 11.95 -Neigh | 0.0057366 | 0.0057366 | 0.0057366 | 0.0 | 6.83 -Comm | 0.00086808 | 0.00086808 | 0.00086808 | 0.0 | 1.03 -Output | 0.00049472 | 0.00049472 | 0.00049472 | 0.0 | 0.59 -Modify | 0.060893 | 0.060893 | 0.060893 | 0.0 | 72.47 -Other | | 0.005989 | | | 7.13 - -Nlocal: 100 ave 100 max 100 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: 151 ave 151 max 151 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 151 -Ave neighs/atom = 1.51 -Neighbor list builds = 92 -Dangerous builds = 0 - -region container delete -variable theta equal (step-15000)*(4.0*PI/5000) -region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 1 1 1 -run 5000 -Per MPI rank memory allocation (min/avg/max) = 5.836 | 5.836 | 5.836 Mbytes -Step Atoms Temp c_1 c_2 Press - 15000 100 0.00064227996 0.00064227996 0.00070964586 3.2291286e-05 - 15100 100 0.81230775 0.81230775 0.53266834 0.010948517 - 15200 100 0.87957637 0.87957637 0.57559572 0.012401402 - 15300 100 1.0262431 1.0262431 0.66535656 0.015239294 - 15400 100 1.2863564 1.2863564 0.82026439 0.020115365 - 15500 100 1.4721549 1.4721549 0.92138954 0.022400442 - 15600 100 1.7140429 1.7140429 1.0103822 0.02558084 - 15700 100 1.8963287 1.8963287 1.0916756 0.032032318 - 15800 100 2.0741177 2.0741177 1.1706233 0.034251942 - 15900 100 2.1434733 2.1434733 1.2054242 0.030132271 - 16000 100 2.1409892 2.1409892 1.2019761 0.030914205 - 16100 100 2.2496058 2.2496058 1.2476438 0.030939743 - 16200 100 2.233356 2.233356 1.2499888 0.030097445 - 16300 100 2.2673491 2.2673491 1.272321 0.030968524 - 16400 100 2.3735648 2.3735648 1.3126117 0.034532377 - 16500 100 2.4510087 2.4510087 1.3588349 0.036685351 - 16600 100 2.497406 2.497406 1.3811443 0.032019982 - 16700 100 2.6800518 2.6800518 1.4661941 0.037455527 - 16800 100 2.8673997 2.8673997 1.5558303 0.03606532 - 16900 100 3.1229488 3.1229488 1.6918439 0.039753213 - 17000 100 3.117815 3.117815 1.6996841 0.046210837 - 17100 100 3.3336225 3.3336225 1.7834517 0.047865361 - 17200 100 3.1773164 3.1773164 1.7113961 0.047778334 - 17300 100 3.4336759 3.4336759 1.8343073 0.049673718 - 17400 100 3.3142326 3.3142326 1.7796613 0.055329946 - 17500 100 3.3205493 3.3205493 1.7853946 0.043558145 - 17600 100 3.2764553 3.2764553 1.7640702 0.051463316 - 17700 100 3.1909643 3.1909643 1.7407995 0.043248948 - 17800 100 3.1958324 3.1958324 1.735056 0.050123145 - 17900 100 3.2431806 3.2431806 1.7380638 0.050838878 - 18000 100 3.2967417 3.2967417 1.7705821 0.042176084 - 18100 100 3.4270672 3.4270672 1.8459819 0.043589925 - 18200 100 3.3638494 3.3638494 1.8159436 0.048949648 - 18300 100 3.3192279 3.3192279 1.8122198 0.043629595 - 18400 100 3.2627211 3.2627211 1.796316 0.045504529 - 18500 100 3.5669172 3.5669172 1.9257062 0.048460393 - 18600 100 3.5546411 3.5546411 1.9154318 0.046890968 - 18700 100 3.7288485 3.7288485 2.011106 0.046906531 - 18800 100 3.6800347 3.6800347 1.9936406 0.049985172 - 18900 100 3.7151898 3.7151898 2.007659 0.050394561 - 19000 100 3.9693368 3.9693368 2.1311549 0.053710204 - 19100 100 3.6907732 3.6907732 1.9939387 0.05480136 - 19200 100 3.8808777 3.8808777 2.0790125 0.055093552 - 19300 100 3.8422142 3.8422142 2.0756951 0.058090774 - 19400 100 3.7836875 3.7836875 2.0399805 0.06965907 - 19500 100 4.0480195 4.0480195 2.169214 0.053420651 - 19600 100 3.965917 3.965917 2.1245227 0.059077084 - 19700 100 3.8980869 3.8980869 2.0956306 0.050857062 - 19800 100 4.008079 4.008079 2.1501421 0.054938689 - 19900 100 3.7244506 3.7244506 2.0080877 0.055481507 - 20000 100 3.8146094 3.8146094 2.0541416 0.053187111 -Loop time of 0.210396 on 1 procs for 5000 steps with 100 atoms - -Performance: 10266363.999 tau/day, 23764.731 timesteps/s -98.3% CPU use with 1 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.013991 | 0.013991 | 0.013991 | 0.0 | 6.65 -Neigh | 0.056947 | 0.056947 | 0.056947 | 0.0 | 27.07 -Comm | 0.0013928 | 0.0013928 | 0.0013928 | 0.0 | 0.66 -Output | 0.00054646 | 0.00054646 | 0.00054646 | 0.0 | 0.26 -Modify | 0.13027 | 0.13027 | 0.13027 | 0.0 | 61.92 -Other | | 0.007249 | | | 3.45 - -Nlocal: 100 ave 100 max 100 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: 144 ave 144 max 144 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 144 -Ave neighs/atom = 1.44 -Neighbor list builds = 910 -Dangerous builds = 0 - -region container delete -region container block -6 6 -6 6 -6 6 units box -run 5000 -Per MPI rank memory allocation (min/avg/max) = 5.836 | 5.836 | 5.836 Mbytes -Step Atoms Temp c_1 c_2 Press - 20000 100 3.8146094 3.8146094 2.0541416 0.052956687 - 20100 100 1.3848453 1.3848453 0.82244153 0.017544632 - 20200 100 0.89469578 0.89469578 0.55929611 0.0111604 - 20300 100 0.83962013 0.83962013 0.52665461 0.010396174 - 20400 100 0.77264252 0.77264252 0.48961142 0.0095493901 - 20500 100 0.78613208 0.78613208 0.48683715 0.012166835 - 20600 100 0.88411633 0.88411633 0.52854942 0.011725323 - 20700 100 0.89833225 0.89833225 0.52549693 0.012193413 - 20800 100 0.90216089 0.90216089 0.51167019 0.014289685 - 20900 100 0.98665057 0.98665057 0.5468893 0.013794318 - 21000 100 0.7576342 0.7576342 0.42758791 0.011720156 - 21100 100 0.3821563 0.3821563 0.23426423 0.005324458 - 21200 100 0.17486973 0.17486973 0.12876582 0.0029726352 - 21300 100 0.17940562 0.17940562 0.12400155 0.0026179917 - 21400 100 0.15526876 0.15526876 0.10526802 0.002341177 - 21500 100 0.079493361 0.079493361 0.062289324 0.0017379534 - 21600 100 0.057299519 0.057299519 0.047939171 0.0020095941 - 21700 100 0.056900097 0.056900097 0.045799124 0.0017782068 - 21800 100 0.039847861 0.039847861 0.035138066 0.0018265057 - 21900 100 0.03919167 0.03919167 0.031815619 0.0012160098 - 22000 100 0.025499317 0.025499317 0.022126202 0.0010056809 - 22100 100 0.018956113 0.018956113 0.017843095 0.0016109368 - 22200 100 0.017337018 0.017337018 0.016063068 0.00042537508 - 22300 100 0.014785686 0.014785686 0.013007571 0.00049466367 - 22400 100 0.011754087 0.011754087 0.010399793 0.00042349151 - 22500 100 0.010362474 0.010362474 0.009077435 0.00025198478 - 22600 100 0.0089484896 0.0089484896 0.0079474121 0.00035239475 - 22700 100 0.0089936432 0.0089936432 0.0077908763 0.00018548371 - 22800 100 0.0068663718 0.0068663718 0.0064061667 0.00025641972 - 22900 100 0.0050272392 0.0050272392 0.0046676214 0.00040466013 - 23000 100 0.0049250142 0.0049250142 0.0044849467 0.00035704909 - 23100 100 0.0050508148 0.0050508148 0.0043117775 0.00030051828 - 23200 100 0.0037293467 0.0037293467 0.0033592517 0.00038108923 - 23300 100 0.0032823722 0.0032823722 0.0030511575 0.00040421775 - 23400 100 0.0026913866 0.0026913866 0.0025493429 9.2813733e-05 - 23500 100 0.0025590632 0.0025590632 0.0024466447 8.4695125e-05 - 23600 100 0.0025270441 0.0025270441 0.0024236554 8.4237376e-05 - 23700 100 0.0026406527 0.0026406527 0.0024501963 0.00015009901 - 23800 100 0.0024633391 0.0024633391 0.0023470594 3.8990761e-05 - 23900 100 0.0029505606 0.0029505606 0.0025122613 4.9810757e-05 - 24000 100 0.0019535519 0.0019535519 0.0019112421 3.5804751e-05 - 24100 100 0.0017505151 0.0017505151 0.001726233 2.380737e-05 - 24200 100 0.0015864857 0.0015864857 0.0015479949 1.963276e-05 - 24300 100 0.0014535898 0.0014535898 0.0014221262 3.6607862e-05 - 24400 100 0.0013744934 0.0013744934 0.0013523293 1.4522467e-05 - 24500 100 0.0013286378 0.0013286378 0.0013097089 3.2389792e-05 - 24600 100 0.0012093624 0.0012093624 0.0011617482 4.848694e-05 - 24700 100 0.0011817062 0.0011817062 0.0011409092 3.8898899e-05 - 24800 100 0.0011142524 0.0011142524 0.0010877723 1.4560662e-05 - 24900 100 0.0010941199 0.0010941199 0.0010614415 7.0209336e-05 - 25000 100 0.0010773559 0.0010773559 0.0010389783 1.3332279e-05 -Loop time of 0.0912137 on 1 procs for 5000 steps with 100 atoms - -Performance: 23680652.416 tau/day, 54816.325 timesteps/s -99.3% CPU use with 1 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.010053 | 0.010053 | 0.010053 | 0.0 | 11.02 -Neigh | 0.017597 | 0.017597 | 0.017597 | 0.0 | 19.29 -Comm | 0.00092912 | 0.00092912 | 0.00092912 | 0.0 | 1.02 -Output | 0.00049806 | 0.00049806 | 0.00049806 | 0.0 | 0.55 -Modify | 0.056085 | 0.056085 | 0.056085 | 0.0 | 61.49 -Other | | 0.006052 | | | 6.63 - -Nlocal: 100 ave 100 max 100 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: 143 ave 143 max 143 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 143 -Ave neighs/atom = 1.43 -Neighbor list builds = 289 -Dangerous builds = 0 -Total wall time: 0:00:00 diff --git a/examples/granregion/log.27Nov18.granregion.box.g++.4 b/examples/granregion/log.27Nov18.granregion.box.g++.4 deleted file mode 100644 index 170c8be867..0000000000 --- a/examples/granregion/log.27Nov18.granregion.box.g++.4 +++ /dev/null @@ -1,475 +0,0 @@ -LAMMPS (27 Nov 2018) -OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87) - using 1 OpenMP thread(s) per MPI task -# pouring spheres into container box - -units lj -atom_style sphere -boundary f f f -dimension 3 -comm_modify vel yes - -region box block -10 10 -10 10 -10 10 units box -create_box 2 box -Created orthogonal box = (-10 -10 -10) to (10 10 10) - 1 by 2 by 2 MPI processor grid - -pair_style hybrid gran/hooke 4000.0 NULL 100.0 NULL 0.5 1 -pair_coeff * * gran/hooke - -region container block -6 6 -6 6 -6 6 units box -fix container all wall/gran/region hooke/history 4000.0 NULL 100.0 NULL 0.5 1 region container - -neighbor 0.3 bin -neigh_modify delay 0 every 1 check yes - -fix 2 all nve/sphere -fix 3 all gravity 1.0 vector 0 0 -1 - -region slab block -2 2 -2 2 -2 2 units box -fix ins all pour 100 2 4767548 vol 0.4 10 diam one 1.0 region slab ignore -Particle insertion: 48 every 566 steps, 100 by step 1133 - -timestep 0.005 - -compute 1 all temp -compute_modify 1 dynamic/dof yes - -compute 2 all temp/sphere -compute_modify 2 dynamic/dof yes - -thermo 100 -thermo_style custom step atoms temp c_1 c_2 press -thermo_modify lost ignore -compute_modify thermo_temp dynamic/dof yes - -#dump 2 all image 100 image.*.jpg type type # zoom 1.4 adiam 1.0 box no 0.0 axes yes 0.9 0.03 -#dump_modify 2 pad 5 - -run 5000 -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 = 1.3 - binsize = 0.65, bins = 31 31 31 - 1 neighbor lists, perpetual/occasional/extra = 1 0 0 - (1) pair gran/hooke, perpetual - attributes: half, newton on, size - pair build: half/size/bin/newton - stencil: half/bin/3d/newton - bin: standard -Per MPI rank memory allocation (min/avg/max) = 0.4834 | 0.4834 | 0.4834 Mbytes -Step Atoms Temp c_1 c_2 Press - 0 0 0 0 0 0 - 100 21 0.54270729 0.54270729 0.26473526 0.0013567682 - 200 21 0.87606961 0.87606961 0.42735103 0.002190174 - 300 21 1.1428374 1.1428374 0.55748167 0.0028570936 - 400 21 1.3543103 1.3543103 0.66829516 0.0033857758 - 500 21 1.0677786 1.0677786 0.53582407 0.0045048164 - 600 56 0.6744286 0.6744286 0.3502938 0.0047464584 - 700 56 0.75569283 0.75569283 0.39779462 0.0051953882 - 800 56 0.61597505 0.61597505 0.32943642 0.0086022783 - 900 56 0.65260802 0.65260802 0.34474044 0.0059298996 - 1000 56 0.51624952 0.51624952 0.28326898 0.0067827337 - 1100 56 0.46050076 0.46050076 0.25656319 0.0061891094 - 1200 81 0.39112346 0.39112346 0.21690172 0.0086559316 - 1300 81 0.33302617 0.33302617 0.19109398 0.0033381104 - 1400 81 0.3933533 0.3933533 0.21221692 0.004135078 - 1500 81 0.35495297 0.35495297 0.19925984 0.0037374946 - 1600 81 0.34150606 0.34150606 0.19025811 0.0053492835 - 1700 100 0.2561647 0.2561647 0.14186278 0.0090767057 - 1800 100 0.21124278 0.21124278 0.12154878 0.002854576 - 1900 100 0.21793955 0.21793955 0.12173867 0.0029049175 - 2000 100 0.25530858 0.25530858 0.13892272 0.0035528022 - 2100 100 0.24671805 0.24671805 0.13687782 0.0076812357 - 2200 100 0.22465212 0.22465212 0.12513612 0.0042526344 - 2300 100 0.19362805 0.19362805 0.10914275 0.0061175383 - 2400 100 0.061626039 0.061626039 0.045905953 0.0010393593 - 2500 100 0.052690575 0.052690575 0.038879745 0.0018543933 - 2600 100 0.037256691 0.037256691 0.02833916 0.0027683815 - 2700 100 0.033416362 0.033416362 0.024551243 0.00046725913 - 2800 100 0.019617758 0.019617758 0.014619416 0.00064550316 - 2900 100 0.012313874 0.012313874 0.0098188153 0.00033470181 - 3000 100 0.010948455 0.010948455 0.0087981878 0.00034401243 - 3100 100 0.009359431 0.009359431 0.0073642412 0.00045497356 - 3200 100 0.008129885 0.008129885 0.0061460516 0.00029944201 - 3300 100 0.0050682533 0.0050682533 0.0042692811 0.00026543293 - 3400 100 0.0031539312 0.0031539312 0.0027256511 0.00012475748 - 3500 100 0.0023621311 0.0023621311 0.0021691817 0.0001186392 - 3600 100 0.0018305354 0.0018305354 0.0018004128 0.00015926282 - 3700 100 0.0016522492 0.0016522492 0.0017231072 0.0002193159 - 3800 100 0.0011715102 0.0011715102 0.0012739973 0.0001747857 - 3900 100 0.0010607606 0.0010607606 0.0010974725 0.00012476088 - 4000 100 0.00087570802 0.00087570802 0.00095828935 6.5544103e-05 - 4100 100 0.00078598203 0.00078598203 0.00088068743 9.4560761e-05 - 4200 100 0.00088317454 0.00088317454 0.00092784605 8.1108122e-05 - 4300 100 0.0015013254 0.0015013254 0.0012069505 8.8289686e-05 - 4400 100 0.00070054041 0.00070054041 0.00079451193 5.195712e-05 - 4500 100 0.00096259073 0.00096259073 0.00091232511 3.4895669e-05 - 4600 100 0.00056641848 0.00056641848 0.00069083146 3.9657253e-05 - 4700 100 0.0005455099 0.0005455099 0.00064816699 2.8131762e-05 - 4800 100 0.00048254366 0.00048254366 0.00057192255 4.7914432e-05 - 4900 100 0.00037108125 0.00037108125 0.00048035333 6.4711817e-05 - 5000 100 0.00031290399 0.00031290399 0.00042398478 4.6025975e-05 -Loop time of 0.075416 on 4 procs for 5000 steps with 100 atoms - -Performance: 28641126.336 tau/day, 66298.904 timesteps/s -93.7% CPU use with 4 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.0022948 | 0.0041364 | 0.0061705 | 2.8 | 5.48 -Neigh | 0.0043123 | 0.0057145 | 0.0070784 | 1.8 | 7.58 -Comm | 0.014259 | 0.018658 | 0.024313 | 3.3 | 24.74 -Output | 0.0011525 | 0.001404 | 0.0015383 | 0.4 | 1.86 -Modify | 0.0030508 | 0.014543 | 0.026602 | 9.5 | 19.28 -Other | | 0.03096 | | | 41.05 - -Nlocal: 25 ave 51 max 0 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Nghost: 5.5 ave 12 max 0 min -Histogram: 2 0 0 0 0 0 0 0 1 1 -Neighs: 39.75 ave 84 max 0 min -Histogram: 2 0 0 0 0 0 0 0 1 1 - -Total # of neighbors = 159 -Ave neighs/atom = 1.59 -Neighbor list builds = 310 -Dangerous builds = 0 - -region container delete -variable theta equal (step-5000)*(4.0*PI/5000) -region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 0 0 1 -run 5000 -Per MPI rank memory allocation (min/avg/max) = 5.733 | 5.733 | 5.734 Mbytes -Step Atoms Temp c_1 c_2 Press - 5000 100 0.00031290399 0.00031290399 0.00042398478 4.4282259e-05 - 5100 100 0.62661084 0.62661084 0.33840611 0.012020153 - 5200 100 0.67371678 0.67371678 0.36218522 0.0093514044 - 5300 100 0.75892331 0.75892331 0.4000747 0.010693252 - 5400 100 0.86207426 0.86207426 0.44630388 0.013540097 - 5500 100 0.96205334 0.96205334 0.49432848 0.017375079 - 5600 100 1.0261194 1.0261194 0.52203912 0.016045333 - 5700 100 1.0584366 1.0584366 0.53794336 0.018621676 - 5800 100 1.0881674 1.0881674 0.55300469 0.01930602 - 5900 100 1.1214233 1.1214233 0.56613492 0.021141141 - 6000 100 1.1666836 1.1666836 0.58759377 0.017655361 - 6100 100 1.1785775 1.1785775 0.59365148 0.01829443 - 6200 100 1.2092305 1.2092305 0.60798809 0.018752443 - 6300 100 1.2331787 1.2331787 0.62003386 0.020291021 - 6400 100 1.2561616 1.2561616 0.63143643 0.019899235 - 6500 100 1.284432 1.284432 0.6460504 0.02083284 - 6600 100 1.2678801 1.2678801 0.63882384 0.019456553 - 6700 100 1.2662641 1.2662641 0.63676836 0.020235578 - 6800 100 1.2785484 1.2785484 0.64129093 0.020335162 - 6900 100 1.2916608 1.2916608 0.64764298 0.020154225 - 7000 100 1.2907774 1.2907774 0.64724849 0.020550885 - 7100 100 1.3074473 1.3074473 0.65460147 0.020847362 - 7200 100 1.3124592 1.3124592 0.65641332 0.020897348 - 7300 100 1.3206191 1.3206191 0.66011491 0.021444077 - 7400 100 1.3273988 1.3273988 0.66350669 0.02129418 - 7500 100 1.3343911 1.3343911 0.66707269 0.021337376 - 7600 100 1.3368998 1.3368998 0.66869327 0.021415901 - 7700 100 1.330658 1.330658 0.66535295 0.021500761 - 7800 100 1.330801 1.330801 0.66555123 0.022806058 - 7900 100 1.3392828 1.3392828 0.66926796 0.02194009 - 8000 100 1.3432728 1.3432728 0.67142337 0.022393719 - 8100 100 1.3411612 1.3411612 0.66989302 0.022366895 - 8200 100 1.3427451 1.3427451 0.67054285 0.021966329 - 8300 100 1.3418147 1.3418147 0.67023132 0.022513459 - 8400 100 1.346493 1.346493 0.67247837 0.022705366 - 8500 100 1.3513958 1.3513958 0.6749092 0.022834077 - 8600 100 1.3520297 1.3520297 0.67506261 0.023227676 - 8700 100 1.3517157 1.3517157 0.67485073 0.023043414 - 8800 100 1.3530071 1.3530071 0.67547212 0.022933766 - 8900 100 1.3550454 1.3550454 0.67657277 0.022744182 - 9000 100 1.3554069 1.3554069 0.67673505 0.022802134 - 9100 100 1.3556675 1.3556675 0.67698335 0.022868449 - 9200 100 1.3534709 1.3534709 0.67600677 0.022537792 - 9300 100 1.3525103 1.3525103 0.67569499 0.022687849 - 9400 100 1.3612673 1.3612673 0.67967213 0.022703588 - 9500 100 1.3649439 1.3649439 0.68147385 0.023498539 - 9600 100 1.3629376 1.3629376 0.68063814 0.023515579 - 9700 100 1.3648924 1.3648924 0.68137104 0.023641856 - 9800 100 1.3662063 1.3662063 0.68196538 0.023576884 - 9900 100 1.3689695 1.3689695 0.68326751 0.023572622 - 10000 100 1.3701139 1.3701139 0.68383343 0.023720885 -Loop time of 0.174251 on 4 procs for 5000 steps with 100 atoms - -Performance: 12395939.906 tau/day, 28694.305 timesteps/s -96.5% CPU use with 4 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.0024631 | 0.010709 | 0.020461 | 8.0 | 6.15 -Neigh | 0.0078361 | 0.012368 | 0.016955 | 4.0 | 7.10 -Comm | 0.0059071 | 0.013641 | 0.023547 | 6.6 | 7.83 -Output | 0.0011749 | 0.0021775 | 0.0030091 | 1.4 | 1.25 -Modify | 0.015055 | 0.055709 | 0.097013 | 17.2 | 31.97 -Other | | 0.07965 | | | 45.71 - -Nlocal: 25 ave 51 max 0 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Nghost: 4.5 ave 10 max 0 min -Histogram: 2 0 0 0 0 0 0 0 1 1 -Neighs: 49.25 ave 101 max 0 min -Histogram: 2 0 0 0 0 0 0 0 0 2 - -Total # of neighbors = 197 -Ave neighs/atom = 1.97 -Neighbor list builds = 627 -Dangerous builds = 0 - -region container delete -region container block -6 6 -6 6 -6 6 units box -run 5000 -Per MPI rank memory allocation (min/avg/max) = 5.733 | 5.733 | 5.734 Mbytes -Step Atoms Temp c_1 c_2 Press - 10000 100 1.3701139 1.3701139 0.68383343 0.023895921 - 10100 100 0.25960098 0.25960098 0.15183967 0.0049554084 - 10200 100 0.15017576 0.15017576 0.10081112 0.0045433238 - 10300 100 0.10129671 0.10129671 0.078049099 0.0014012658 - 10400 100 0.06742425 0.06742425 0.055603816 0.0010184792 - 10500 100 0.053446366 0.053446366 0.045338293 0.00089291689 - 10600 100 0.041898231 0.041898231 0.036081995 0.00060703885 - 10700 100 0.03580041 0.03580041 0.031118724 0.00067731964 - 10800 100 0.030933755 0.030933755 0.026372348 0.00039362325 - 10900 100 0.027278004 0.027278004 0.022868898 0.0003680788 - 11000 100 0.021566952 0.021566952 0.017994879 0.0013056062 - 11100 100 0.019143625 0.019143625 0.015833865 0.00050998112 - 11200 100 0.015659868 0.015659868 0.013119379 0.00012755696 - 11300 100 0.013554605 0.013554605 0.01147808 0.00027393437 - 11400 100 0.01204033 0.01204033 0.010273026 0.00033430792 - 11500 100 0.010958991 0.010958991 0.0093924566 0.00049023273 - 11600 100 0.01012553 0.01012553 0.0084556996 0.00021457333 - 11700 100 0.0083584131 0.0083584131 0.0071118766 7.7149089e-05 - 11800 100 0.007044883 0.007044883 0.0058675523 0.00036165381 - 11900 100 0.0059875106 0.0059875106 0.0050610372 7.4095443e-05 - 12000 100 0.0045180275 0.0045180275 0.0039006565 0.00014607704 - 12100 100 0.0036631356 0.0036631356 0.0031154279 7.031064e-05 - 12200 100 0.0034443424 0.0034443424 0.0029190637 0.00020974475 - 12300 100 0.0030853504 0.0030853504 0.0026315266 3.4873541e-05 - 12400 100 0.0025451749 0.0025451749 0.0022290833 0.00041551536 - 12500 100 0.0021624857 0.0021624857 0.0019127734 2.6760761e-05 - 12600 100 0.0020637862 0.0020637862 0.0018186641 4.9446655e-05 - 12700 100 0.0019889538 0.0019889538 0.0017604689 3.326943e-05 - 12800 100 0.0018706349 0.0018706349 0.0016669237 2.3327318e-05 - 12900 100 0.0017472824 0.0017472824 0.001579469 8.816765e-05 - 13000 100 0.0016034824 0.0016034824 0.0014549852 3.5407524e-05 - 13100 100 0.00151798 0.00151798 0.0013826659 1.8754149e-05 - 13200 100 0.0013049781 0.0013049781 0.0012137907 0.00015263775 - 13300 100 0.0012270536 0.0012270536 0.0011590841 4.77636e-06 - 13400 100 0.0011395128 0.0011395128 0.0010860297 2.5606328e-05 - 13500 100 0.0010858414 0.0010858414 0.0010486713 5.8563931e-05 - 13600 100 0.0010474389 0.0010474389 0.001015904 1.4319658e-05 - 13700 100 0.00099241549 0.00099241549 0.00097825038 1.2281142e-05 - 13800 100 0.00084449252 0.00084449252 0.00084141963 1.0451215e-05 - 13900 100 0.00084004792 0.00084004792 0.00083755495 3.7174162e-05 - 14000 100 0.00082183505 0.00082183505 0.00082027058 1.0170209e-05 - 14100 100 0.00082377076 0.00082377076 0.00080489795 1.181976e-05 - 14200 100 0.00076903208 0.00076903208 0.00076216608 4.4590341e-05 - 14300 100 0.00075173269 0.00075173269 0.00074828209 2.2134371e-05 - 14400 100 0.00074379148 0.00074379148 0.00074072001 1.5746014e-05 - 14500 100 0.00072454029 0.00072454029 0.0007174429 8.9830398e-06 - 14600 100 0.00072372648 0.00072372648 0.00071678769 9.1111512e-06 - 14700 100 0.00071541587 0.00071541587 0.00070893868 7.8446375e-05 - 14800 100 0.0006820307 0.0006820307 0.00066675502 8.4401299e-06 - 14900 100 0.00067050627 0.00067050627 0.00065751846 0.0001228548 - 15000 100 0.00064977132 0.00064977132 0.00062305247 7.8887775e-06 -Loop time of 0.0746691 on 4 procs for 5000 steps with 100 atoms - -Performance: 28927619.905 tau/day, 66962.083 timesteps/s -96.6% CPU use with 4 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.0021737 | 0.0042608 | 0.0063519 | 3.2 | 5.71 -Neigh | 0.0012126 | 0.0019009 | 0.0026193 | 1.6 | 2.55 -Comm | 0.0023425 | 0.0092477 | 0.016876 | 7.2 | 12.38 -Output | 0.0010619 | 0.0017995 | 0.0030522 | 1.8 | 2.41 -Modify | 0.00097013 | 0.017151 | 0.03415 | 12.3 | 22.97 -Other | | 0.04031 | | | 53.98 - -Nlocal: 25 ave 55 max 0 min -Histogram: 2 0 0 0 0 0 0 0 1 1 -Nghost: 3.75 ave 9 max 0 min -Histogram: 2 0 0 0 0 0 1 0 0 1 -Neighs: 42.5 ave 88 max 0 min -Histogram: 2 0 0 0 0 0 0 0 0 2 - -Total # of neighbors = 170 -Ave neighs/atom = 1.7 -Neighbor list builds = 97 -Dangerous builds = 0 - -region container delete -variable theta equal (step-15000)*(4.0*PI/5000) -region container block -6 6 -6 6 -6 6 units box rotate v_theta 0 0 0 1 1 1 -run 5000 -Per MPI rank memory allocation (min/avg/max) = 5.733 | 5.733 | 5.734 Mbytes -Step Atoms Temp c_1 c_2 Press - 15000 100 0.00064977132 0.00064977132 0.00062305247 7.9405607e-06 - 15100 100 1.0123899 1.0123899 0.66185504 0.014587215 - 15200 100 1.0332828 1.0332828 0.67443308 0.014002815 - 15300 100 1.0804076 1.0804076 0.72450056 0.016985272 - 15400 100 1.2868163 1.2868163 0.8708132 0.022190597 - 15500 100 1.5180471 1.5180471 0.99613124 0.026761866 - 15600 100 1.5422016 1.5422016 1.0021746 0.024490139 - 15700 100 1.7142241 1.7142241 1.0611146 0.0301368 - 15800 100 1.8747057 1.8747057 1.1207858 0.027612699 - 15900 100 1.9294819 1.9294819 1.1289025 0.027270228 - 16000 100 1.953275 1.953275 1.1264475 0.031568811 - 16100 100 2.0434228 2.0434228 1.1665365 0.026358952 - 16200 100 2.2129393 2.2129393 1.2448327 0.029613382 - 16300 100 2.2558224 2.2558224 1.2373264 0.028306021 - 16400 100 2.367398 2.367398 1.293448 0.029659303 - 16500 100 2.4221549 2.4221549 1.3198966 0.032541712 - 16600 100 2.510283 2.510283 1.3618001 0.034740544 - 16700 100 2.6776293 2.6776293 1.4508262 0.034556341 - 16800 100 2.8095841 2.8095841 1.5190571 0.035183782 - 16900 100 2.8485646 2.8485646 1.5344387 0.037153336 - 17000 100 3.0298285 3.0298285 1.6321623 0.040745906 - 17100 100 3.0218054 3.0218054 1.6187189 0.042082135 - 17200 100 3.1981705 3.1981705 1.7090597 0.041770208 - 17300 100 3.3178559 3.3178559 1.7723201 0.044604756 - 17400 100 3.3940903 3.3940903 1.8229846 0.049231759 - 17500 100 3.3274817 3.3274817 1.7870996 0.051649102 - 17600 100 3.3204358 3.3204358 1.791527 0.043875639 - 17700 100 3.2185649 3.2185649 1.7480866 0.049941218 - 17800 100 3.2507826 3.2507826 1.7727758 0.048622479 - 17900 100 3.2432767 3.2432767 1.7796296 0.044343902 - 18000 100 3.0841272 3.0841272 1.6978832 0.045344433 - 18100 100 3.0953909 3.0953909 1.699898 0.040070963 - 18200 100 3.1405704 3.1405704 1.7316463 0.042528194 - 18300 100 3.1904871 3.1904871 1.7555188 0.041141165 - 18400 100 3.3256779 3.3256779 1.8243767 0.043908318 - 18500 100 3.5161823 3.5161823 1.9150861 0.045165166 - 18600 100 3.5668273 3.5668273 1.9217975 0.048127705 - 18700 100 3.6648305 3.6648305 1.9685241 0.051205352 - 18800 100 3.9000502 3.9000502 2.0886668 0.05262835 - 18900 100 4.0217758 4.0217758 2.1465498 0.054502839 - 19000 100 3.8431174 3.8431174 2.0581611 0.054852333 - 19100 100 4.1721454 4.1721454 2.2221193 0.053831555 - 19200 100 3.9061181 3.9061181 2.096323 0.058077678 - 19300 100 4.0191085 4.0191085 2.1408069 0.05475437 - 19400 100 3.8840871 3.8840871 2.0887677 0.061905092 - 19500 100 3.8388062 3.8388062 2.0567095 0.051076414 - 19600 100 3.6331742 3.6331742 1.9574769 0.04748008 - 19700 100 3.6996954 3.6996954 1.9887285 0.053305043 - 19800 100 3.8649872 3.8649872 2.0827424 0.060484008 - 19900 100 3.8305733 3.8305733 2.0700281 0.052926584 - 20000 100 3.7948463 3.7948463 2.0657301 0.048516953 -Loop time of 0.156359 on 4 procs for 5000 steps with 100 atoms - -Performance: 13814330.011 tau/day, 31977.616 timesteps/s -94.9% CPU use with 4 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.0040646 | 0.0058124 | 0.0074518 | 1.6 | 3.72 -Neigh | 0.014813 | 0.018389 | 0.020829 | 1.6 | 11.76 -Comm | 0.031892 | 0.034103 | 0.036658 | 1.0 | 21.81 -Output | 0.0013497 | 0.0019822 | 0.003484 | 2.0 | 1.27 -Modify | 0.031006 | 0.046878 | 0.056364 | 4.5 | 29.98 -Other | | 0.0492 | | | 31.46 - -Nlocal: 25 ave 37 max 10 min -Histogram: 1 0 0 0 0 1 0 1 0 1 -Nghost: 3.75 ave 6 max 2 min -Histogram: 1 0 1 0 0 1 0 0 0 1 -Neighs: 36.25 ave 57 max 9 min -Histogram: 1 0 0 0 0 0 2 0 0 1 - -Total # of neighbors = 145 -Ave neighs/atom = 1.45 -Neighbor list builds = 921 -Dangerous builds = 0 - -region container delete -region container block -6 6 -6 6 -6 6 units box -run 5000 -Per MPI rank memory allocation (min/avg/max) = 5.733 | 5.734 | 5.734 Mbytes -Step Atoms Temp c_1 c_2 Press - 20000 100 3.7948463 3.7948463 2.0657301 0.048381317 - 20100 100 1.1359931 1.1359931 0.70170151 0.015300556 - 20200 100 0.87354617 0.87354617 0.55969299 0.012181983 - 20300 100 0.84424484 0.84424484 0.52849351 0.017724782 - 20400 100 0.82422562 0.82422562 0.50175766 0.0098154181 - 20500 100 0.83731289 0.83731289 0.49814627 0.010465327 - 20600 100 0.93125924 0.93125924 0.53803834 0.011624902 - 20700 100 1.0810919 1.0810919 0.60974741 0.01425935 - 20800 100 1.0646343 1.0646343 0.60037545 0.013418132 - 20900 100 1.0608055 1.0608055 0.58353908 0.015119612 - 21000 100 0.68173094 0.68173094 0.3941588 0.0099947535 - 21100 100 0.35407592 0.35407592 0.21306735 0.0043859494 - 21200 100 0.19247432 0.19247432 0.12989264 0.0031808422 - 21300 100 0.13493768 0.13493768 0.093987634 0.0025990872 - 21400 100 0.085735857 0.085735857 0.062091707 0.001434207 - 21500 100 0.074307566 0.074307566 0.05224051 0.0022163094 - 21600 100 0.069932382 0.069932382 0.045388838 0.0020296572 - 21700 100 0.041749712 0.041749712 0.031422931 0.001211155 - 21800 100 0.03378055 0.03378055 0.026248846 0.0020596463 - 21900 100 0.030608528 0.030608528 0.022868294 0.0016282878 - 22000 100 0.025632448 0.025632448 0.019606402 0.0011659657 - 22100 100 0.013785062 0.013785062 0.011561769 0.00069006322 - 22200 100 0.013139066 0.013139066 0.010559726 0.00038424576 - 22300 100 0.01455318 0.01455318 0.011094558 0.00054735929 - 22400 100 0.0096885414 0.0096885414 0.008012617 0.00055875777 - 22500 100 0.0081193116 0.0081193116 0.006802973 0.00052914932 - 22600 100 0.0057159621 0.0057159621 0.0048680253 0.00054864875 - 22700 100 0.0052344376 0.0052344376 0.0045511708 0.00026333033 - 22800 100 0.0054554177 0.0054554177 0.0045005479 0.0002085972 - 22900 100 0.0039455776 0.0039455776 0.0035287888 0.00022514017 - 23000 100 0.0042620461 0.0042620461 0.0035747729 0.00020030999 - 23100 100 0.0035303095 0.0035303095 0.0031995108 0.00016007298 - 23200 100 0.0029747457 0.0029747457 0.0027095904 0.00029775807 - 23300 100 0.0032404433 0.0032404433 0.002769389 0.00019627995 - 23400 100 0.0024965262 0.0024965262 0.0022343473 0.00018870133 - 23500 100 0.00251617 0.00251617 0.0022533604 0.0002661237 - 23600 100 0.0025923653 0.0025923653 0.0022887204 0.00018475201 - 23700 100 0.0023016545 0.0023016545 0.0019829032 0.00014888334 - 23800 100 0.0028358441 0.0028358441 0.0021790504 0.00064613131 - 23900 100 0.0016682403 0.0016682403 0.0014930521 8.8407075e-05 - 24000 100 0.0016341577 0.0016341577 0.0014597606 0.00011262081 - 24100 100 0.0015433636 0.0015433636 0.0013981581 8.364568e-05 - 24200 100 0.0015033978 0.0015033978 0.0013582013 8.4539006e-05 - 24300 100 0.0014513098 0.0014513098 0.0012943981 0.00010546194 - 24400 100 0.0013293352 0.0013293352 0.001206366 8.4967509e-05 - 24500 100 0.0013732518 0.0013732518 0.001202532 0.00014787559 - 24600 100 0.00091890041 0.00091890041 0.00084499923 0.00010080638 - 24700 100 0.00083467915 0.00083467915 0.00077071316 5.3934025e-05 - 24800 100 0.00080701934 0.00080701934 0.0007477161 5.3982095e-05 - 24900 100 0.00080620771 0.00080620771 0.0007471026 5.3581294e-05 - 25000 100 0.00080568604 0.00080568604 0.00074625735 5.3574637e-05 -Loop time of 0.0792506 on 4 procs for 5000 steps with 100 atoms - -Performance: 27255302.560 tau/day, 63090.978 timesteps/s -95.0% CPU use with 4 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.0023611 | 0.0047854 | 0.0077851 | 3.4 | 6.04 -Neigh | 0.0042653 | 0.005571 | 0.0067258 | 1.5 | 7.03 -Comm | 0.0077977 | 0.013373 | 0.019515 | 4.4 | 16.87 -Output | 0.0010924 | 0.0017727 | 0.0030222 | 1.8 | 2.24 -Modify | 0.0023608 | 0.015964 | 0.030545 | 10.5 | 20.14 -Other | | 0.03778 | | | 47.68 - -Nlocal: 25 ave 50 max 0 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Nghost: 5 ave 10 max 0 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Neighs: 35.75 ave 78 max 0 min -Histogram: 2 0 0 0 0 0 0 0 1 1 - -Total # of neighbors = 143 -Ave neighs/atom = 1.43 -Neighbor list builds = 287 -Dangerous builds = 0 -Total wall time: 0:00:00 diff --git a/examples/granregion/log.27Nov18.granregion.funnel.g++.1 b/examples/granregion/log.27Nov18.granregion.funnel.g++.1 deleted file mode 100644 index 0268ed000a..0000000000 --- a/examples/granregion/log.27Nov18.granregion.funnel.g++.1 +++ /dev/null @@ -1,601 +0,0 @@ -LAMMPS (27 Nov 2018) -OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87) - using 1 OpenMP thread(s) per MPI task -# pour particles into cone-shaped funnel, settle them, let them run out bottom - -variable name string funnel_pour - -thermo_modify flush yes -units si -variable PI equal 3.141592653589 -variable seed equal 14314 - -############################################### -# Geometry-related parameters -############################################### - -variable xlo equal 10 -variable xhi equal 40 -variable ylo equal 10 -variable yhi equal 40 -variable zlo equal -20 -variable zhi equal 50 - -variable xc equal 25 -variable yc equal 25 - -variable zconehi equal 50 -variable zconelo equal 10 -variable zcyllo equal 0 -variable radconelo equal 2 -variable radconehi equal 20 - -################################################ -# Particle sizes -################################################ - -variable rlo equal 0.25 -variable rhi equal 0.5 -variable dlo equal 2.0*${rlo} -variable dlo equal 2.0*0.25 -variable dhi equal 2.0*${rhi} -variable dhi equal 2.0*0.5 - -variable skin equal ${rhi} -variable skin equal 0.5 - -############################################### -# Granular contact parameters -############################################### - -variable coeffRes equal 0.1 -variable coeffFric equal 0.5 - -variable density equal 1.0 -variable EYoung equal 10^5 -variable Poisson equal 2.0/7.0 -variable GShear equal ${EYoung}/(2*(1+${Poisson})) -variable GShear equal 100000/(2*(1+${Poisson})) -variable GShear equal 100000/(2*(1+0.285714285714286)) - -variable gravity equal 1.0 - -variable reff equal 0.5*(${rhi}+${rlo}) -variable reff equal 0.5*(0.5+${rlo}) -variable reff equal 0.5*(0.5+0.25) -variable meff equal ${density}*4.0/3.0*${PI}*${reff}^3 -variable meff equal 1*4.0/3.0*${PI}*${reff}^3 -variable meff equal 1*4.0/3.0*3.141592653589*${reff}^3 -variable meff equal 1*4.0/3.0*3.141592653589*0.375^3 -variable min_mass equal ${density}*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo} -variable min_mass equal 1*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo} -variable min_mass equal 1*4.0/3.0*3.141592653589*${rlo}*${rlo}*${rlo} -variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*${rlo}*${rlo} -variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*${rlo} -variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*0.25 -variable max_mass equal ${density}*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi} -variable max_mass equal 1*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi} -variable max_mass equal 1*4.0/3.0*3.141592653589*${rhi}*${rhi}*${rhi} -variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*${rhi}*${rhi} -variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*${rhi} -variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*0.5 - -## Typical way to set kn, kt, etc.: -variable kn equal 4.0*${GShear}/(3*(1-${Poisson})) -variable kn equal 4.0*38888.8888888889/(3*(1-${Poisson})) -variable kn equal 4.0*38888.8888888889/(3*(1-0.285714285714286)) -variable kt equal 4.0*${GShear}/(2-${Poisson}) -variable kt equal 4.0*38888.8888888889/(2-${Poisson}) -variable kt equal 4.0*38888.8888888889/(2-0.285714285714286) - -variable a equal (-2.0*log(${coeffRes})/${PI})^2 -variable a equal (-2.0*log(0.1)/${PI})^2 -variable a equal (-2.0*log(0.1)/3.141592653589)^2 -variable gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a)) -variable gamma_n equal sqrt(0.405284734569556*2*${kn}/${min_mass}/(1+0.25*$a)) -variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/${min_mass}/(1+0.25*$a)) -variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*$a)) -variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*0.405284734569556)) -variable gamma_t equal ${gamma_n}*0.5 -variable gamma_t equal 903.503751814138*0.5 - -variable tcol equal ${PI}/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0) -variable tcol equal 3.141592653589/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0) -variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/${min_mass}-${gamma_n}/4.0) -variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-${gamma_n}/4.0) -variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-903.503751814138/4.0) - -variable dt equal ${tcol}*0.05 -variable dt equal 0.00210943016014969*0.05 -timestep ${dt} -timestep 0.000105471508007485 - -############################################### -variable dumpfreq equal 1000 -variable logfreq equal 1000 - -newton off -atom_style sphere - -boundary p p f - -region boxreg block ${xlo} ${xhi} ${ylo} ${yhi} ${zlo} ${zhi} -region boxreg block 10 ${xhi} ${ylo} ${yhi} ${zlo} ${zhi} -region boxreg block 10 40 ${ylo} ${yhi} ${zlo} ${zhi} -region boxreg block 10 40 10 ${yhi} ${zlo} ${zhi} -region boxreg block 10 40 10 40 ${zlo} ${zhi} -region boxreg block 10 40 10 40 -20 ${zhi} -region boxreg block 10 40 10 40 -20 50 -create_box 1 boxreg -Created orthogonal box = (10 10 -20) to (40 40 50) - 1 by 1 by 1 MPI processor grid - -pair_style gran/hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 -pair_style gran/hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 -pair_style gran/hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 -pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 -pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 -pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 -pair_coeff * * - -neighbor ${skin} bin -neighbor 0.5 bin -thermo ${logfreq} -thermo 1000 - -comm_style brick -comm_modify mode multi group all vel yes -balance 1.1 shift xyz 20 1.1 -Neighbor list info ... - update every 1 steps, delay 10 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 0 - ghost atom cutoff = 0 - binsize = 30, bins = 1 1 3 - 1 neighbor lists, perpetual/occasional/extra = 1 0 0 - (1) pair gran/hertz/history, perpetual - attributes: half, newton off, size, history - pair build: half/size/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard -fix bal all balance 10000 1.1 shift xyz 20 1.01 - -####################### Options specific to pouring ######################### - -# insertion region for fix/pour - -region insreg cylinder z ${xc} ${yc} 10 30 50 side in units box -region insreg cylinder z 25 ${yc} 10 30 50 side in units box -region insreg cylinder z 25 25 10 30 50 side in units box - -# define cone and cylinder regions - see lammps doc on region command -# note new open options - -region cylreg cylinder z ${xc} ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 2 #Top is open -region cylreg cylinder z 25 ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 2 -region cylreg cylinder z 25 25 ${radconelo} ${zcyllo} ${zconelo} side in units box open 2 -region cylreg cylinder z 25 25 2 ${zcyllo} ${zconelo} side in units box open 2 -region cylreg cylinder z 25 25 2 0 ${zconelo} side in units box open 2 -region cylreg cylinder z 25 25 2 0 10 side in units box open 2 - -region conereg cone z ${xc} ${yc} ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 #Bottom and top are open -region conereg cone z 25 ${yc} ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 -region conereg cone z 25 25 ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 -region conereg cone z 25 25 2 ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 -region conereg cone z 25 25 2 20 ${zconelo} ${zconehi} side in units box open 1 open 2 -region conereg cone z 25 25 2 20 10 ${zconehi} side in units box open 1 open 2 -region conereg cone z 25 25 2 20 10 50 side in units box open 1 open 2 - -region hopreg union 2 conereg cylreg - -fix grav all gravity ${gravity} vector 0 0 -1 -fix grav all gravity 1 vector 0 0 -1 -fix 1 all nve/sphere - - -fix hopper3 all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg - -fix ins all pour 2000 1 42424 region insreg diam range ${dlo} ${dhi} dens ${density} ${density} -fix ins all pour 2000 1 42424 region insreg diam range 0.5 ${dhi} dens ${density} ${density} -fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens ${density} ${density} -fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens 1 ${density} -fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens 1 1 -Particle insertion: 3000 every 59965 steps, 2000 by step 1 - -#dump 1 all custom ${dumpfreq} ${name}.dump # id type mass diameter x y z - -#dump 2 all image 4000 image.*.jpg type type # axes yes 0.8 0.02 view 60 -30 zoom 3.0 # box no 0.0 axes no 0.0 0.0 -#dump_modify 2 pad 6 - -thermo_style custom step cpu atoms ke -WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:705) -thermo_modify flush yes lost warn - -# Initial run to fill up the cone - -run 20000 -Per MPI rank memory allocation (min/avg/max) = 6.649 | 6.649 | 6.649 Mbytes -Step CPU Atoms KinEng - 0 0 0 -0 - 1000 0.63593698 2000 -0 - 2000 1.0282419 2000 -0 - 3000 1.4184453 2000 -0 - 4000 1.8055785 2000 -0 - 5000 2.1941335 2000 -0 - 6000 2.5804653 2000 -0 - 7000 2.9660621 2000 -0 - 8000 3.3506265 2000 -0 - 9000 3.7344413 2000 -0 - 10000 4.1212304 2000 -0 - 11000 4.5044594 2000 -0 - 12000 4.8875456 2000 -0 - 13000 5.2698007 2000 -0 - 14000 5.6527214 2000 -0 - 15000 6.0349295 2000 -0 - 16000 6.4172938 2000 -0 - 17000 6.8001184 2000 -0 - 18000 7.1826644 2000 -0 - 19000 7.5654378 2000 -0 - 20000 7.9511659 2000 -0 -Loop time of 7.95118 on 1 procs for 20000 steps with 2000 atoms - -99.8% CPU use with 1 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.6189 | 0.6189 | 0.6189 | 0.0 | 7.78 -Neigh | 0.09361 | 0.09361 | 0.09361 | 0.0 | 1.18 -Comm | 0.016098 | 0.016098 | 0.016098 | 0.0 | 0.20 -Output | 0.00048828 | 0.00048828 | 0.00048828 | 0.0 | 0.01 -Modify | 6.9973 | 6.9973 | 6.9973 | 0.0 | 88.00 -Other | | 0.2248 | | | 2.83 - -Nlocal: 2000 ave 2000 max 2000 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: 1537 ave 1537 max 1537 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 1537 -Ave neighs/atom = 0.7685 -Neighbor list builds = 69 -Dangerous builds = 0 -unfix ins -run 150000 -Per MPI rank memory allocation (min/avg/max) = 12.77 | 12.77 | 12.77 Mbytes -Step CPU Atoms KinEng - 20000 0 2000 6443.7665 - 21000 0.3826313 2000 6572.3531 - 22000 0.76688981 2000 6723.8376 - 23000 1.1534231 2000 6853.1812 - 24000 1.5391715 2000 6976.0209 - 25000 1.9263508 2000 7096.9955 - 26000 2.3168406 2000 7215.5795 - 27000 2.7065961 2000 7349.2382 - 28000 3.096664 2000 7471.8719 - 29000 3.4905531 2000 7574.8228 - 30000 3.8877606 2000 7659.3836 - 31000 4.2839894 2000 7703.6856 - 32000 4.6859732 2000 7644.279 - 33000 5.0932801 2000 7526.6944 - 34000 5.5045564 2000 7370.0821 - 35000 5.9206297 2000 7193.0457 - 36000 6.343729 2000 6990.9899 - 37000 6.7719142 2000 6849.2841 - 38000 7.2016783 2000 6701.7433 - 39000 7.6354482 2000 6538.9557 - 40000 8.078445 2000 6381.9346 - 41000 8.5191586 2000 6217.5253 - 42000 8.9630713 2000 6093.5344 - 43000 9.4097741 2000 5943.0479 - 44000 9.8652256 2000 5841.0782 - 45000 10.331057 2000 5652.8319 - 46000 10.803253 2000 5476.1466 - 47000 11.278766 2000 5267.7855 - 48000 11.759121 2000 5131.4036 - 49000 12.248896 2000 4972.7696 - 50000 12.747719 2000 4867.0868 - 51000 13.246704 2000 4681.897 - 52000 13.757842 2000 4506.8185 - 53000 14.276078 2000 4346.8045 - 54000 14.795933 2000 4193.8194 - 55000 15.311241 2000 4058.2049 - 56000 15.828737 2000 3879.0325 - 57000 16.359453 2000 3696.3154 - 58000 16.905406 2000 3504.0399 - 59000 17.460454 2000 3284.6522 - 60000 18.027276 2000 3061.0727 - 61000 18.586931 2000 2874.2926 - 62000 19.158563 2000 2653.0722 - 63000 19.738442 2000 2437.4941 - 64000 20.331411 2000 2124.1876 - 65000 20.936204 2000 1864.5661 - 66000 21.547443 2000 1610.2335 - 67000 22.166888 2000 1390.0428 - 68000 22.789106 2000 1163.7679 - 69000 23.416016 2000 933.0928 - 70000 24.038879 2000 745.66667 - 71000 24.663115 2000 605.58458 - 72000 25.294193 2000 444.31183 - 73000 25.932019 2000 357.19162 - 74000 26.568184 2000 291.16762 - 75000 27.203393 2000 230.58362 - 76000 27.836079 2000 197.59502 - 77000 28.467344 2000 166.55702 - 78000 29.099997 2000 139.89052 - 79000 29.741694 2000 117.1145 - 80000 30.388097 2000 100.12353 - 81000 31.036193 2000 85.233155 - 82000 31.688463 2000 71.145302 - 83000 32.343411 2000 61.545348 - 84000 32.999346 2000 54.099358 - 85000 33.652976 2000 46.922028 - 86000 34.306931 2000 41.606645 - 87000 34.967787 2000 37.462793 - 88000 35.633721 2000 33.698298 - 89000 36.310035 2000 29.340455 - 90000 36.995441 2000 26.072122 - 91000 37.67904 2000 23.20848 - 92000 38.367699 2000 21.015862 - 93000 39.058641 2000 20.134175 - 94000 39.749342 2000 19.196075 - 95000 40.442651 2000 18.285127 - 96000 41.140177 2000 17.476411 - 97000 41.840761 2000 16.55882 - 98000 42.543845 2000 15.444541 - 99000 43.256415 2000 14.41642 - 100000 43.97382 2000 13.818738 - 101000 44.684596 2000 12.878373 - 102000 45.401082 2000 12.11804 - 103000 46.120936 2000 11.016885 - 104000 46.83935 2000 10.531044 - 105000 47.559419 2000 10.46735 - 106000 48.286016 2000 10.246007 - 107000 49.012266 2000 9.6423041 - 108000 49.74013 2000 9.3948808 - 109000 50.471961 2000 9.5178141 - 110000 51.206152 2000 9.4143884 - 111000 51.939123 2000 9.5058226 - 112000 52.673443 2000 9.6911516 - 113000 53.410485 2000 9.7756849 - 114000 54.152537 2000 9.3876232 - 115000 54.891784 2000 8.6725333 - 116000 55.631474 2000 8.6691065 - 117000 56.371762 2000 8.0156055 - 118000 57.110131 2000 7.9150786 - 119000 57.8533 2000 7.5310892 - 120000 58.599064 2000 7.2940498 - 121000 59.340753 2000 6.8347898 - 122000 60.084676 2000 6.696484 - 123000 60.826952 2000 6.7799146 - 124000 61.569413 2000 6.7901567 - 125000 62.316334 2000 6.7532108 - 126000 63.061374 2000 6.762162 - 127000 63.806385 2000 6.6317366 - 128000 64.555969 2000 6.8246399 - 129000 65.308131 2000 6.9130358 - 130000 66.060967 2000 7.1750566 - 131000 66.809725 2000 6.9507379 - 132000 67.559796 2000 6.7987445 - 133000 68.314249 2000 6.8535775 - 134000 69.065513 2000 7.0255144 - 135000 69.817604 2000 6.7381064 - 136000 70.572079 2000 6.5567748 - 137000 71.324444 2000 6.2655395 - 138000 72.079147 2000 6.1923013 - 139000 72.831323 2000 6.0958081 - 140000 73.59117 2000 5.9185709 - 141000 74.343753 2000 5.9151241 - 142000 75.096509 2000 5.4743035 - 143000 75.852151 2000 5.438642 - 144000 76.605005 2000 4.6646664 - 145000 77.357571 2000 4.6899837 - 146000 78.113125 2000 4.5357917 - 147000 78.867751 2000 4.5993842 - 148000 79.625344 2000 4.7076884 - 149000 80.37992 2000 4.8306642 - 150000 81.143175 2000 4.8282147 - 151000 81.899326 2000 4.546308 - 152000 82.658645 2000 4.6700755 - 153000 83.41837 2000 4.7557633 - 154000 84.17509 2000 4.9004538 - 155000 84.934161 2000 5.0552949 - 156000 85.695466 2000 4.0672495 - 157000 86.453115 2000 3.5819543 - 158000 87.212663 2000 3.3533477 - 159000 87.967768 2000 3.3281001 - 160000 88.729631 2000 3.0831743 - 161000 89.498983 2000 3.0519269 - 162000 90.259424 2000 3.0951675 - 163000 91.019656 2000 2.9868352 - 164000 91.776359 2000 2.9195788 - 165000 92.536374 2000 2.5637813 - 166000 93.296332 2000 2.5553272 - 167000 94.05653 2000 2.0752912 - 168000 94.814559 2000 1.9689845 - 169000 95.576005 2000 1.9117916 - 170000 96.337863 2000 1.8568914 -Loop time of 96.3379 on 1 procs for 150000 steps with 2000 atoms - -99.8% CPU use with 1 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 37.121 | 37.121 | 37.121 | 0.0 | 38.53 -Neigh | 0.8454 | 0.8454 | 0.8454 | 0.0 | 0.88 -Comm | 0.11506 | 0.11506 | 0.11506 | 0.0 | 0.12 -Output | 0.004431 | 0.004431 | 0.004431 | 0.0 | 0.00 -Modify | 56.517 | 56.517 | 56.517 | 0.0 | 58.67 -Other | | 1.735 | | | 1.80 - -Nlocal: 2000 ave 2000 max 2000 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: 15524 ave 15524 max 15524 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 15524 -Ave neighs/atom = 7.762 -Neighbor list builds = 388 -Dangerous builds = 0 - -# remove "plug" - need to redefine cylinder region & union - -region cylreg delete -region hopreg delete -region cylreg cylinder z ${xc} ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2 #Bottom & top are open -region cylreg cylinder z 25 ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2 -region cylreg cylinder z 25 25 ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2 -region cylreg cylinder z 25 25 2 ${zcyllo} ${zconelo} side in units box open 1 open 2 -region cylreg cylinder z 25 25 2 0 ${zconelo} side in units box open 1 open 2 -region cylreg cylinder z 25 25 2 0 10 side in units box open 1 open 2 - -region hopreg union 2 cylreg conereg - -unfix hopper3 -fix hopper3 all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg - -run 100000 -Per MPI rank memory allocation (min/avg/max) = 18.64 | 18.64 | 18.64 Mbytes -Step CPU Atoms KinEng - 170000 0 2000 1.8568914 - 171000 0.75704765 2000 2.4011583 - 172000 1.5101345 2000 3.176628 - 173000 2.2556529 2000 4.5364486 - 174000 2.9946566 2000 6.5494125 - 175000 3.7253478 2000 9.1934319 - 176000 4.4570525 2000 12.25765 - 177000 5.1876664 2000 15.799657 - 178000 5.9178619 2000 19.982558 - 179000 6.6439464 2000 24.927165 - 180000 7.3749168 2000 30.428362 - 181000 8.1011977 2000 36.74232 - 182000 8.8207343 2000 43.820448 - 183000 9.5397925 2000 50.903222 - 184000 10.253098 2000 59.425781 - 185000 10.965505 2000 69.143119 - 186000 11.673319 2000 79.210705 - 187000 12.373966 2000 90.411346 - 188000 13.075475 2000 102.35389 - 189000 13.770632 2000 114.93888 - 190000 14.469445 2000 128.63341 - 191000 15.158381 2000 143.44526 - 192000 15.846267 2000 159.04574 - 193000 16.527754 2000 174.3114 - 194000 17.204808 2000 190.42123 - 195000 17.881059 2000 207.70459 - 196000 18.556555 2000 224.90931 - 197000 19.229818 2000 242.64914 - 198000 19.905086 2000 261.48312 - 199000 20.578518 2000 281.28308 - 200000 21.25632 2000 302.95108 - 201000 21.921347 2000 325.95534 - 202000 22.583873 2000 350.6874 - 203000 23.244724 2000 376.31773 - 204000 23.904842 2000 404.21947 - 205000 24.562788 2000 432.96116 - 206000 25.217762 2000 462.4113 - 207000 25.875814 2000 491.91207 - 208000 26.531285 2000 522.15395 - 209000 27.184766 2000 553.1024 - 210000 27.842961 2000 585.7133 - 211000 28.489339 2000 619.96357 - 212000 29.139612 2000 653.96189 - 213000 29.783866 2000 689.8027 - 214000 30.426881 2000 727.28401 - 215000 31.06706 2000 766.40354 - 216000 31.706399 2000 805.65433 - 217000 32.343033 2000 845.40981 - 218000 32.989384 2000 884.24637 - 219000 33.633664 2000 923.5998 - 220000 34.285172 2000 965.01779 - 221000 34.931959 2000 1009.1763 - 222000 35.571624 2000 1054.7789 - 223000 36.207868 2000 1101.9922 - 224000 36.836062 2000 1151.1205 - 225000 37.464514 2000 1201.3979 - 226000 38.09746 2000 1252.4054 - 227000 38.732507 1999 1296.6784 - 228000 39.371367 1997 1342.3466 - 229000 40.012553 1992 1368.8559 - 230000 40.652111 1977 1360.2259 - 231000 41.275478 1965 1340.3793 - 232000 41.892734 1953 1318.8318 - 233000 42.50588 1938 1295.5667 - 234000 43.121427 1924 1270.0641 - 235000 43.740727 1914 1258.296 - 236000 44.359241 1902 1224.3945 - 237000 44.979463 1899 1248.3905 - 238000 45.597358 1885 1206.9229 - 239000 46.210114 1875 1195.5429 - 240000 46.818148 1861 1142.6591 - 241000 47.411079 1851 1131.5523 - 242000 48.002522 1841 1116.8741 - 243000 48.594254 1830 1099.9978 - 244000 49.191798 1822 1078.6068 - 245000 49.791332 1814 1072.1498 - 246000 50.389728 1803 1020.7842 - 247000 50.984212 1794 1000.1936 - 248000 51.571047 1781 942.02462 - 249000 52.149428 1772 916.83697 - 250000 52.726202 1758 825.10751 - 251000 53.29913 1748 789.06351 - 252000 53.871912 1739 753.92258 - 253000 54.441009 1729 697.83686 - 254000 55.010203 1718 648.98541 - 255000 55.573602 1710 620.38129 - 256000 56.134709 1705 622.43466 - 257000 56.701827 1700 595.79102 - 258000 57.264463 1698 608.49223 - 259000 57.827817 1695 614.0119 - 260000 58.398994 1690 601.50438 - 261000 58.964611 1687 608.5892 - 262000 59.526765 1683 597.07884 - 263000 60.082729 1682 618.65041 - 264000 60.640105 1678 615.47784 - 265000 61.195717 1675 605.27658 - 266000 61.751087 1671 583.69853 - 267000 62.305546 1669 600.11043 - 268000 62.86105 1666 598.79807 - 269000 63.417551 1663 588.40338 - 270000 63.974486 1660 579.59387 -Loop time of 63.9745 on 1 procs for 100000 steps with 1660 atoms - -99.8% CPU use with 1 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 26.514 | 26.514 | 26.514 | 0.0 | 41.44 -Neigh | 0.60324 | 0.60324 | 0.60324 | 0.0 | 0.94 -Comm | 0.075881 | 0.075881 | 0.075881 | 0.0 | 0.12 -Output | 0.0029137 | 0.0029137 | 0.0029137 | 0.0 | 0.00 -Modify | 35.686 | 35.686 | 35.686 | 0.0 | 55.78 -Other | | 1.092 | | | 1.71 - -Nlocal: 1660 ave 1660 max 1660 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: 11681 ave 11681 max 11681 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 11681 -Ave neighs/atom = 7.03675 -Neighbor list builds = 249 -Dangerous builds = 0 -Total wall time: 0:02:48 diff --git a/examples/granregion/log.27Nov18.granregion.funnel.g++.4 b/examples/granregion/log.27Nov18.granregion.funnel.g++.4 deleted file mode 100644 index 67c307d212..0000000000 --- a/examples/granregion/log.27Nov18.granregion.funnel.g++.4 +++ /dev/null @@ -1,601 +0,0 @@ -LAMMPS (27 Nov 2018) -OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87) - using 1 OpenMP thread(s) per MPI task -# pour particles into cone-shaped funnel, settle them, let them run out bottom - -variable name string funnel_pour - -thermo_modify flush yes -units si -variable PI equal 3.141592653589 -variable seed equal 14314 - -############################################### -# Geometry-related parameters -############################################### - -variable xlo equal 10 -variable xhi equal 40 -variable ylo equal 10 -variable yhi equal 40 -variable zlo equal -20 -variable zhi equal 50 - -variable xc equal 25 -variable yc equal 25 - -variable zconehi equal 50 -variable zconelo equal 10 -variable zcyllo equal 0 -variable radconelo equal 2 -variable radconehi equal 20 - -################################################ -# Particle sizes -################################################ - -variable rlo equal 0.25 -variable rhi equal 0.5 -variable dlo equal 2.0*${rlo} -variable dlo equal 2.0*0.25 -variable dhi equal 2.0*${rhi} -variable dhi equal 2.0*0.5 - -variable skin equal ${rhi} -variable skin equal 0.5 - -############################################### -# Granular contact parameters -############################################### - -variable coeffRes equal 0.1 -variable coeffFric equal 0.5 - -variable density equal 1.0 -variable EYoung equal 10^5 -variable Poisson equal 2.0/7.0 -variable GShear equal ${EYoung}/(2*(1+${Poisson})) -variable GShear equal 100000/(2*(1+${Poisson})) -variable GShear equal 100000/(2*(1+0.285714285714286)) - -variable gravity equal 1.0 - -variable reff equal 0.5*(${rhi}+${rlo}) -variable reff equal 0.5*(0.5+${rlo}) -variable reff equal 0.5*(0.5+0.25) -variable meff equal ${density}*4.0/3.0*${PI}*${reff}^3 -variable meff equal 1*4.0/3.0*${PI}*${reff}^3 -variable meff equal 1*4.0/3.0*3.141592653589*${reff}^3 -variable meff equal 1*4.0/3.0*3.141592653589*0.375^3 -variable min_mass equal ${density}*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo} -variable min_mass equal 1*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo} -variable min_mass equal 1*4.0/3.0*3.141592653589*${rlo}*${rlo}*${rlo} -variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*${rlo}*${rlo} -variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*${rlo} -variable min_mass equal 1*4.0/3.0*3.141592653589*0.25*0.25*0.25 -variable max_mass equal ${density}*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi} -variable max_mass equal 1*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi} -variable max_mass equal 1*4.0/3.0*3.141592653589*${rhi}*${rhi}*${rhi} -variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*${rhi}*${rhi} -variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*${rhi} -variable max_mass equal 1*4.0/3.0*3.141592653589*0.5*0.5*0.5 - -## Typical way to set kn, kt, etc.: -variable kn equal 4.0*${GShear}/(3*(1-${Poisson})) -variable kn equal 4.0*38888.8888888889/(3*(1-${Poisson})) -variable kn equal 4.0*38888.8888888889/(3*(1-0.285714285714286)) -variable kt equal 4.0*${GShear}/(2-${Poisson}) -variable kt equal 4.0*38888.8888888889/(2-${Poisson}) -variable kt equal 4.0*38888.8888888889/(2-0.285714285714286) - -variable a equal (-2.0*log(${coeffRes})/${PI})^2 -variable a equal (-2.0*log(0.1)/${PI})^2 -variable a equal (-2.0*log(0.1)/3.141592653589)^2 -variable gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a)) -variable gamma_n equal sqrt(0.405284734569556*2*${kn}/${min_mass}/(1+0.25*$a)) -variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/${min_mass}/(1+0.25*$a)) -variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*$a)) -variable gamma_n equal sqrt(0.405284734569556*2*72592.5925925926/0.0654498469497708/(1+0.25*0.405284734569556)) -variable gamma_t equal ${gamma_n}*0.5 -variable gamma_t equal 903.503751814138*0.5 - -variable tcol equal ${PI}/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0) -variable tcol equal 3.141592653589/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0) -variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/${min_mass}-${gamma_n}/4.0) -variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-${gamma_n}/4.0) -variable tcol equal 3.141592653589/sqrt(2*72592.5925925926/0.0654498469497708-903.503751814138/4.0) - -variable dt equal ${tcol}*0.05 -variable dt equal 0.00210943016014969*0.05 -timestep ${dt} -timestep 0.000105471508007485 - -############################################### -variable dumpfreq equal 1000 -variable logfreq equal 1000 - -newton off -atom_style sphere - -boundary p p f - -region boxreg block ${xlo} ${xhi} ${ylo} ${yhi} ${zlo} ${zhi} -region boxreg block 10 ${xhi} ${ylo} ${yhi} ${zlo} ${zhi} -region boxreg block 10 40 ${ylo} ${yhi} ${zlo} ${zhi} -region boxreg block 10 40 10 ${yhi} ${zlo} ${zhi} -region boxreg block 10 40 10 40 ${zlo} ${zhi} -region boxreg block 10 40 10 40 -20 ${zhi} -region boxreg block 10 40 10 40 -20 50 -create_box 1 boxreg -Created orthogonal box = (10 10 -20) to (40 40 50) - 1 by 1 by 4 MPI processor grid - -pair_style gran/hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 -pair_style gran/hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 -pair_style gran/hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 -pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 -pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 -pair_style gran/hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 -pair_coeff * * - -neighbor ${skin} bin -neighbor 0.5 bin -thermo ${logfreq} -thermo 1000 - -comm_style brick -comm_modify mode multi group all vel yes -balance 1.1 shift xyz 20 1.1 -Neighbor list info ... - update every 1 steps, delay 10 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 0 - ghost atom cutoff = 0 - binsize = 30, bins = 1 1 3 - 1 neighbor lists, perpetual/occasional/extra = 1 0 0 - (1) pair gran/hertz/history, perpetual - attributes: half, newton off, size, history - pair build: half/size/bin/newtoff - stencil: half/bin/3d/newtoff - bin: standard -fix bal all balance 10000 1.1 shift xyz 20 1.01 - -####################### Options specific to pouring ######################### - -# insertion region for fix/pour - -region insreg cylinder z ${xc} ${yc} 10 30 50 side in units box -region insreg cylinder z 25 ${yc} 10 30 50 side in units box -region insreg cylinder z 25 25 10 30 50 side in units box - -# define cone and cylinder regions - see lammps doc on region command -# note new open options - -region cylreg cylinder z ${xc} ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 2 #Top is open -region cylreg cylinder z 25 ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 2 -region cylreg cylinder z 25 25 ${radconelo} ${zcyllo} ${zconelo} side in units box open 2 -region cylreg cylinder z 25 25 2 ${zcyllo} ${zconelo} side in units box open 2 -region cylreg cylinder z 25 25 2 0 ${zconelo} side in units box open 2 -region cylreg cylinder z 25 25 2 0 10 side in units box open 2 - -region conereg cone z ${xc} ${yc} ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 #Bottom and top are open -region conereg cone z 25 ${yc} ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 -region conereg cone z 25 25 ${radconelo} ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 -region conereg cone z 25 25 2 ${radconehi} ${zconelo} ${zconehi} side in units box open 1 open 2 -region conereg cone z 25 25 2 20 ${zconelo} ${zconehi} side in units box open 1 open 2 -region conereg cone z 25 25 2 20 10 ${zconehi} side in units box open 1 open 2 -region conereg cone z 25 25 2 20 10 50 side in units box open 1 open 2 - -region hopreg union 2 conereg cylreg - -fix grav all gravity ${gravity} vector 0 0 -1 -fix grav all gravity 1 vector 0 0 -1 -fix 1 all nve/sphere - - -fix hopper3 all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg - -fix ins all pour 2000 1 42424 region insreg diam range ${dlo} ${dhi} dens ${density} ${density} -fix ins all pour 2000 1 42424 region insreg diam range 0.5 ${dhi} dens ${density} ${density} -fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens ${density} ${density} -fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens 1 ${density} -fix ins all pour 2000 1 42424 region insreg diam range 0.5 1 dens 1 1 -Particle insertion: 3000 every 59965 steps, 2000 by step 1 - -#dump 1 all custom ${dumpfreq} ${name}.dump # id type mass diameter x y z - -#dump 2 all image 4000 image.*.jpg type type # axes yes 0.8 0.02 view 60 -30 zoom 3.0 # box no 0.0 axes no 0.0 0.0 -#dump_modify 2 pad 6 - -thermo_style custom step cpu atoms ke -WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:705) -thermo_modify flush yes lost warn - -# Initial run to fill up the cone - -run 20000 -Per MPI rank memory allocation (min/avg/max) = 6.05 | 6.05 | 6.05 Mbytes -Step CPU Atoms KinEng - 0 0 0 -0 - 1000 0.63366675 2000 -0 - 2000 1.0221362 2000 -0 - 3000 1.3905275 2000 -0 - 4000 1.7514329 2000 -0 - 5000 2.1040537 2000 -0 - 6000 2.4468088 2000 -0 - 7000 2.7853072 2000 -0 - 8000 3.1109948 2000 -0 - 9000 3.4281557 2000 -0 - 10000 3.7435207 2000 -0 - 11000 3.8612552 2000 -0 - 12000 3.9786677 2000 -0 - 13000 4.0988154 2000 -0 - 14000 4.2249811 2000 -0 - 15000 4.3562138 2000 -0 - 16000 4.4940333 2000 -0 - 17000 4.6394637 2000 -0 - 18000 4.7909062 2000 -0 - 19000 4.9482198 2000 -0 - 20000 5.1116607 2000 -0 -Loop time of 5.11176 on 4 procs for 20000 steps with 2000 atoms - -97.4% CPU use with 4 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.050997 | 0.14884 | 0.36048 | 32.0 | 2.91 -Neigh | 0.01374 | 0.025199 | 0.043743 | 7.0 | 0.49 -Comm | 0.063387 | 0.1781 | 0.29748 | 22.6 | 3.48 -Output | 0.0016627 | 0.0060938 | 0.015082 | 6.8 | 0.12 -Modify | 1.1198 | 1.987 | 3.7195 | 72.6 | 38.87 -Other | | 2.767 | | | 54.12 - -Nlocal: 500 ave 505 max 493 min -Histogram: 1 0 0 0 0 1 0 1 0 1 -Nghost: 159.25 ave 254 max 71 min -Histogram: 1 0 0 1 0 1 0 0 0 1 -Neighs: 397.5 ave 616 max 214 min -Histogram: 1 0 1 0 0 0 1 0 0 1 - -Total # of neighbors = 1590 -Ave neighs/atom = 0.795 -Neighbor list builds = 69 -Dangerous builds = 0 -unfix ins -run 150000 -Per MPI rank memory allocation (min/avg/max) = 12.37 | 12.51 | 12.7 Mbytes -Step CPU Atoms KinEng - 20000 0 2000 6443.7665 - 21000 0.11261106 2000 6572.3531 - 22000 0.23091817 2000 6723.8376 - 23000 0.35577631 2000 6853.1812 - 24000 0.48790455 2000 6976.0209 - 25000 0.63509274 2000 7096.9955 - 26000 0.78251743 2000 7215.5795 - 27000 0.93707466 2000 7349.2382 - 28000 1.1032445 2000 7471.8719 - 29000 1.2721858 2000 7574.8228 - 30000 1.449265 2000 7659.3836 - 31000 1.5742557 2000 7703.6856 - 32000 1.7076068 2000 7644.279 - 33000 1.8527873 2000 7526.6944 - 34000 2.009855 2000 7370.0821 - 35000 2.1766446 2000 7193.0459 - 36000 2.3557482 2000 6990.9912 - 37000 2.5468907 2000 6849.286 - 38000 2.7480681 2000 6701.7548 - 39000 2.9574037 2000 6538.6915 - 40000 3.1807711 2000 6382.3209 - 41000 3.3486595 2000 6216.424 - 42000 3.5162592 2000 6091.29 - 43000 3.687057 2000 5945.3256 - 44000 3.8662596 2000 5840.875 - 45000 4.0557241 2000 5649.763 - 46000 4.2541051 2000 5476.2837 - 47000 4.4571214 2000 5277.0701 - 48000 4.6628008 2000 5123.9796 - 49000 4.8686502 2000 4968.3344 - 50000 5.0788848 2000 4869.5754 - 51000 5.2552598 2000 4704.8517 - 52000 5.4428713 2000 4522.8978 - 53000 5.6520596 2000 4393.8047 - 54000 5.8613031 2000 4235.438 - 55000 6.0776098 2000 4082.3073 - 56000 6.2998042 2000 3901.0483 - 57000 6.5321434 2000 3718.0882 - 58000 6.7745438 2000 3504.621 - 59000 7.0237701 2000 3285.7484 - 60000 7.2791855 2000 3047.3386 - 61000 7.489058 2000 2875.4032 - 62000 7.7044094 2000 2647.83 - 63000 7.9194827 2000 2396.5343 - 64000 8.1429474 2000 2107.2113 - 65000 8.3745618 2000 1858.1977 - 66000 8.610673 2000 1615.8096 - 67000 8.8505244 2000 1416.5065 - 68000 9.0955915 2000 1206.8534 - 69000 9.3609676 2000 953.93974 - 70000 9.6382594 2000 766.9148 - 71000 9.8719468 2000 611.45063 - 72000 10.095534 2000 464.94805 - 73000 10.317962 2000 364.31415 - 74000 10.547287 2000 298.77524 - 75000 10.764052 2000 245.73022 - 76000 10.978769 2000 207.8035 - 77000 11.199921 2000 179.1305 - 78000 11.410296 2000 151.21032 - 79000 11.624499 2000 124.49675 - 80000 11.849562 2000 106.71504 - 81000 12.077449 2000 93.299034 - 82000 12.306904 2000 81.220408 - 83000 12.539016 2000 67.383955 - 84000 12.773108 2000 57.287165 - 85000 13.009487 2000 49.255887 - 86000 13.252544 2000 44.082536 - 87000 13.502564 2000 40.193574 - 88000 13.747198 2000 36.903867 - 89000 13.993028 2000 33.55332 - 90000 14.240036 2000 30.730912 - 91000 14.472719 2000 28.650574 - 92000 14.708542 2000 26.377609 - 93000 14.948106 2000 24.433165 - 94000 15.186653 2000 22.933076 - 95000 15.428022 2000 22.31788 - 96000 15.676323 2000 20.829124 - 97000 15.916326 2000 19.401354 - 98000 16.160197 2000 18.943699 - 99000 16.404796 2000 17.690599 - 100000 16.659731 2000 17.215943 - 101000 16.904498 2000 15.948087 - 102000 17.150993 2000 15.140324 - 103000 17.39584 2000 14.885674 - 104000 17.643707 2000 14.414752 - 105000 17.889343 2000 14.270676 - 106000 18.136159 2000 13.943799 - 107000 18.383653 2000 13.840145 - 108000 18.630952 2000 12.826341 - 109000 18.878218 2000 12.209012 - 110000 19.125558 2000 11.916194 - 111000 19.3726 2000 11.970849 - 112000 19.621494 2000 11.56909 - 113000 19.869978 2000 11.390562 - 114000 20.123402 2000 11.276545 - 115000 20.370963 2000 11.171298 - 116000 20.619975 2000 11.686225 - 117000 20.869585 2000 11.379805 - 118000 21.118875 2000 10.539511 - 119000 21.36837 2000 10.064595 - 120000 21.629511 2000 10.003722 - 121000 21.877867 2000 9.6974586 - 122000 22.127922 2000 9.7156209 - 123000 22.378215 2000 9.615256 - 124000 22.630463 2000 8.8979008 - 125000 22.882154 2000 8.2220003 - 126000 23.135763 2000 8.3153866 - 127000 23.392389 2000 8.0945497 - 128000 23.645521 2000 7.8942467 - 129000 23.89965 2000 7.4794776 - 130000 24.153195 2000 7.3635341 - 131000 24.406239 2000 7.5757743 - 132000 24.66016 2000 7.7047492 - 133000 24.914093 2000 8.0142133 - 134000 25.173429 2000 8.1716714 - 135000 25.433318 2000 7.7803343 - 136000 25.692997 2000 6.3545482 - 137000 25.947787 2000 6.313769 - 138000 26.200427 2000 6.4948596 - 139000 26.452514 2000 6.6183259 - 140000 26.714963 2000 6.7922281 - 141000 26.968235 2000 7.0752448 - 142000 27.220962 2000 7.2328717 - 143000 27.474819 2000 7.626453 - 144000 27.728029 2000 7.4576787 - 145000 27.981958 2000 7.124435 - 146000 28.236591 2000 7.2581589 - 147000 28.489842 2000 7.0622049 - 148000 28.744432 2000 7.1672801 - 149000 28.998739 2000 7.3248363 - 150000 29.253511 2000 7.0092266 - 151000 29.50567 2000 6.8124438 - 152000 29.759836 2000 6.9808705 - 153000 30.015359 2000 7.1516731 - 154000 30.275488 2000 6.6245443 - 155000 30.533407 2000 5.5867165 - 156000 30.788683 2000 5.318949 - 157000 31.043126 2000 5.1195805 - 158000 31.297011 2000 5.2045485 - 159000 31.551327 2000 5.24992 - 160000 31.807728 2000 5.3270577 - 161000 32.061371 2000 4.995281 - 162000 32.315467 2000 5.0755874 - 163000 32.57628 2000 5.0788135 - 164000 32.83119 2000 4.5917317 - 165000 33.085634 2000 4.6255452 - 166000 33.344148 2000 4.2563299 - 167000 33.599342 2000 3.3808566 - 168000 33.853488 2000 3.218931 - 169000 34.121464 2000 3.0839289 - 170000 34.378727 2000 3.0358838 -Loop time of 34.3788 on 4 procs for 150000 steps with 2000 atoms - -98.5% CPU use with 4 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 6.5861 | 10.058 | 12.152 | 68.4 | 29.26 -Neigh | 0.17612 | 0.25274 | 0.30005 | 9.2 | 0.74 -Comm | 1.5024 | 2.6626 | 3.4174 | 44.9 | 7.74 -Output | 0.006542 | 0.019532 | 0.046425 | 11.5 | 0.06 -Modify | 11.945 | 14.674 | 16.29 | 42.7 | 42.68 -Other | | 6.711 | | | 19.52 - -Nlocal: 500 ave 508 max 489 min -Histogram: 1 0 0 1 0 0 0 0 0 2 -Nghost: 446.75 ave 708 max 191 min -Histogram: 1 0 0 1 0 1 0 0 0 1 -Neighs: 4498 ave 5441 max 3786 min -Histogram: 1 1 0 0 0 0 1 0 0 1 - -Total # of neighbors = 17992 -Ave neighs/atom = 8.996 -Neighbor list builds = 403 -Dangerous builds = 0 - -# remove "plug" - need to redefine cylinder region & union - -region cylreg delete -region hopreg delete -region cylreg cylinder z ${xc} ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2 #Bottom & top are open -region cylreg cylinder z 25 ${yc} ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2 -region cylreg cylinder z 25 25 ${radconelo} ${zcyllo} ${zconelo} side in units box open 1 open 2 -region cylreg cylinder z 25 25 2 ${zcyllo} ${zconelo} side in units box open 1 open 2 -region cylreg cylinder z 25 25 2 0 ${zconelo} side in units box open 1 open 2 -region cylreg cylinder z 25 25 2 0 10 side in units box open 1 open 2 - -region hopreg union 2 cylreg conereg - -unfix hopper3 -fix hopper3 all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 ${gamma_t} ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 ${coeffFric} 1 region hopreg -fix hopper3 all wall/gran/region hertz/history 72592.5925925926 90740.7407407408 903.503751814138 451.751875907069 0.5 1 region hopreg - -run 100000 -Per MPI rank memory allocation (min/avg/max) = 13.68 | 15.35 | 16.59 Mbytes -Step CPU Atoms KinEng - 170000 0 2000 3.0358838 - 171000 0.25455499 2000 3.7725185 - 172000 0.50768304 2000 4.727285 - 173000 0.76122355 2000 5.9840449 - 174000 1.0141416 2000 8.0335022 - 175000 1.2750733 2000 10.177259 - 176000 1.5277736 2000 13.655163 - 177000 1.7810826 2000 17.987975 - 178000 2.0348532 2000 23.266471 - 179000 2.2915859 2000 29.266364 - 180000 2.547174 2000 35.84089 - 181000 2.8009758 2000 43.130989 - 182000 3.0531759 2000 51.177142 - 183000 3.3130636 2000 60.031831 - 184000 3.5651338 2000 69.52374 - 185000 3.8185399 2000 79.941907 - 186000 4.070199 2000 91.195382 - 187000 4.3204038 2000 102.1696 - 188000 4.5699775 2000 112.73657 - 189000 4.8184452 2000 123.57252 - 190000 5.0653601 2000 135.59942 - 191000 5.3119307 2000 147.37757 - 192000 5.5574484 2000 159.12931 - 193000 5.8029084 2000 170.90271 - 194000 6.0463562 2000 185.71189 - 195000 6.2883332 2000 201.83733 - 196000 6.5281694 2000 218.30785 - 197000 6.7682493 2000 236.05694 - 198000 7.0084231 2000 255.23099 - 199000 7.2519951 2000 273.94566 - 200000 7.5010133 2000 293.91107 - 201000 7.7396591 2000 316.52142 - 202000 7.9784184 2000 340.91391 - 203000 8.224021 2000 364.81801 - 204000 8.4597676 2000 390.06478 - 205000 8.6934731 2000 415.90918 - 206000 8.9342225 2000 441.0995 - 207000 9.1714027 2000 467.40314 - 208000 9.4081488 2000 494.93631 - 209000 9.6457636 2000 524.70539 - 210000 9.8831718 2000 556.52058 - 211000 10.118018 2000 589.36821 - 212000 10.3541 2000 622.6887 - 213000 10.587226 2000 657.05888 - 214000 10.820744 2000 691.14292 - 215000 11.055785 2000 726.94959 - 216000 11.298702 2000 762.92802 - 217000 11.534793 2000 801.23648 - 218000 11.769849 2000 841.1559 - 219000 12.000917 2000 882.4342 - 220000 12.232812 2000 924.8466 - 221000 12.461166 2000 968.86229 - 222000 12.698451 2000 1013.1381 - 223000 12.930287 2000 1058.2988 - 224000 13.172862 2000 1105.2911 - 225000 13.405001 2000 1152.8617 - 226000 13.633187 1999 1197.6777 - 227000 13.857126 1998 1243.1211 - 228000 14.079622 1992 1262.1402 - 229000 14.303362 1987 1281.9162 - 230000 14.530392 1973 1264.0674 - 231000 14.756486 1964 1277.8347 - 232000 14.984495 1953 1266.7926 - 233000 15.213102 1940 1244.0038 - 234000 15.441666 1925 1206.4472 - 235000 15.667547 1914 1193.33 - 236000 15.895047 1901 1160.4096 - 237000 16.120833 1890 1141.6816 - 238000 16.346628 1883 1149.1584 - 239000 16.573303 1877 1141.7514 - 240000 16.801035 1871 1146.8662 - 241000 17.024775 1866 1152.561 - 242000 17.248651 1858 1148.2529 - 243000 17.47241 1847 1114.7239 - 244000 17.70222 1832 1070.9996 - 245000 17.926477 1824 1066.7549 - 246000 18.157588 1813 1027.1865 - 247000 18.378868 1804 1011.5024 - 248000 18.599988 1797 993.10451 - 249000 18.819007 1787 951.89778 - 250000 19.044634 1777 926.30475 - 251000 19.254408 1764 875.07091 - 252000 19.465788 1755 824.89358 - 253000 19.676327 1742 742.51957 - 254000 19.887648 1731 708.30958 - 255000 20.094912 1722 690.09761 - 256000 20.299963 1713 638.00218 - 257000 20.506153 1705 596.86839 - 258000 20.713994 1701 583.71937 - 259000 20.919755 1691 549.0049 - 260000 21.123122 1688 549.4278 - 261000 21.332215 1684 535.35719 - 262000 21.533673 1682 546.74031 - 263000 21.737042 1678 532.69324 - 264000 21.941306 1676 537.89254 - 265000 22.15135 1676 559.50898 - 266000 22.358371 1670 540.21452 - 267000 22.563236 1668 557.19857 - 268000 22.764648 1665 569.52869 - 269000 22.96391 1658 543.77057 - 270000 23.172415 1656 550.23716 -Loop time of 23.1725 on 4 procs for 100000 steps with 1656 atoms - -98.5% CPU use with 4 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 3.3849 | 7.3002 | 10.192 | 91.3 | 31.50 -Neigh | 0.14271 | 0.16781 | 0.19054 | 4.5 | 0.72 -Comm | 1.086 | 1.9721 | 2.6157 | 42.7 | 8.51 -Output | 0.0018437 | 0.013918 | 0.041359 | 13.5 | 0.06 -Modify | 8.6598 | 9.3198 | 9.8874 | 16.6 | 40.22 -Other | | 4.399 | | | 18.98 - -Nlocal: 414 ave 454 max 385 min -Histogram: 2 0 0 0 0 0 1 0 0 1 -Nghost: 395.25 ave 645 max 157 min -Histogram: 1 0 0 1 0 1 0 0 0 1 -Neighs: 3498.5 ave 4524 max 2034 min -Histogram: 1 0 0 0 1 0 0 0 0 2 - -Total # of neighbors = 13994 -Ave neighs/atom = 8.45048 -Neighbor list builds = 240 -Dangerous builds = 0 -Total wall time: 0:01:02 diff --git a/examples/granregion/log.27Nov18.granregion.mixer.g++.1 b/examples/granregion/log.27Nov18.granregion.mixer.g++.1 deleted file mode 100644 index f2ba9d7122..0000000000 --- a/examples/granregion/log.27Nov18.granregion.mixer.g++.1 +++ /dev/null @@ -1,602 +0,0 @@ -LAMMPS (27 Nov 2018) -OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87) - using 1 OpenMP thread(s) per MPI task -variable name string mixer - -thermo_modify flush yes -variable seed equal 14314 - -############################################### -# Particle parameters -################################################ - -variable rlo equal 0.3 -variable rhi equal 0.6 -variable dlo equal 2.0*${rlo} -variable dlo equal 2.0*0.3 -variable dhi equal 2.0*${rhi} -variable dhi equal 2.0*0.6 -variable skin equal ${rhi} -variable skin equal 0.6 - -variable coeffRes equal 0.1 -variable coeffFric equal 0.5 - -variable kn equal 10^5 -variable kt equal 0.2*${kn} -variable kt equal 0.2*100000 - -variable gravity equal 1.0 -variable density equal 1.0 - -variable min_mass equal ${density}*4.0/3.0*PI*${rlo}*${rlo}*${rlo} -variable min_mass equal 1*4.0/3.0*PI*${rlo}*${rlo}*${rlo} -variable min_mass equal 1*4.0/3.0*PI*0.3*${rlo}*${rlo} -variable min_mass equal 1*4.0/3.0*PI*0.3*0.3*${rlo} -variable min_mass equal 1*4.0/3.0*PI*0.3*0.3*0.3 -variable a equal (-2.0*log(${coeffRes})/PI)^2 -variable a equal (-2.0*log(0.1)/PI)^2 -variable gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a)) -variable gamma_n equal sqrt(0.405284734569351*2*${kn}/${min_mass}/(1+0.25*$a)) -variable gamma_n equal sqrt(0.405284734569351*2*100000/${min_mass}/(1+0.25*$a)) -variable gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*$a)) -variable gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*0.405284734569351)) -variable gamma_t equal ${gamma_n}*0.5 -variable gamma_t equal 806.699778405191*0.5 - -variable tcol equal PI/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0) -variable tcol equal PI/sqrt(2*100000/${min_mass}-${gamma_n}/4.0) -variable tcol equal PI/sqrt(2*100000/0.113097335529233-${gamma_n}/4.0) -variable tcol equal PI/sqrt(2*100000/0.113097335529233-806.699778405191/4.0) - -variable dt equal ${tcol}*0.02 -variable dt equal 0.00236257621510454*0.02 -timestep ${dt} -timestep 4.72515243020908e-05 - -############################################### - -variable dumpfreq equal 1000 -variable logfreq equal 1000 - -newton on -atom_style sphere - -boundary p p f - -region boxreg block 0 20 0 20 0 20 -create_box 1 boxreg -Created orthogonal box = (0 0 0) to (20 20 20) - 1 by 1 by 1 MPI processor grid - -pair_style gran/hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 -pair_style gran/hertz/history 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 -pair_style gran/hertz/history 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 -pair_style gran/hertz/history 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 -pair_style gran/hertz/history 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 -pair_style gran/hertz/history 100000 20000 806.699778405191 403.349889202595 0.5 1 -pair_coeff * * - -neighbor ${skin} bin -neighbor 0.6 bin -thermo ${logfreq} -thermo 1000 - -comm_style brick -comm_modify mode multi group all vel yes -balance 1.1 shift xyz 20 1.1 -Neighbor list info ... - update every 1 steps, delay 10 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 0 - ghost atom cutoff = 0 - binsize = 20, bins = 1 1 1 - 1 neighbor lists, perpetual/occasional/extra = 1 0 0 - (1) pair gran/hertz/history, perpetual - attributes: half, newton on, size, history - pair build: half/size/bin/newton - stencil: half/bin/3d/newton - bin: standard -fix bal all balance 10000 1.1 shift xyz 20 1.01 - -####################### Options specific to pouring ######################### - -region insreg cylinder z 10 10 8 10 18 side in units box -region cylreg cylinder z 10 10 10 0 20 side in units box - -variable theta equal (step/400000)*2*PI - -region b1 block 2 18 9 11 0 4 side out rotate v_theta 10 10 0 0 0 1 units box -region b2 block 9 11 2 18 0 3.99999 side out rotate v_theta 10 10 0 0 0 1 units box - -region mixer intersect 3 cylreg b1 b2 side in - -fix grav all gravity ${gravity} vector 0 0 -1 -fix grav all gravity 1 vector 0 0 -1 -fix 1 all nve/sphere - -fix mixwall all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer -fix mixwall all wall/gran/region hertz/history 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer -fix mixwall all wall/gran/region hertz/history 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer -fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 region mixer -fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 region mixer -fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 403.349889202595 0.5 1 region mixer - -fix ins all pour 1000 1 42424 region insreg diam range ${dlo} ${dhi} dens ${density} ${density} -fix ins all pour 1000 1 42424 region insreg diam range 0.6 ${dhi} dens ${density} ${density} -fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens ${density} ${density} -fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens 1 ${density} -fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens 1 1 -Particle insertion: 444 every 84653 steps, 1000 by step 169307 - -#dump 1 all custom ${dumpfreq} ${name}_pour.dump # id type mass diameter x y z - -#dump 2 all image 4000 image.*.jpg type type # axes yes 0.8 0.02 view 60 -30 zoom 1.5 # box no 0.0 axes no 0.0 0.0 -#dump_modify 2 pad 6 - -thermo_style custom step cpu atoms ke v_theta -WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:705) -thermo_modify flush yes lost warn - -run 200000 -Per MPI rank memory allocation (min/avg/max) = 5.862 | 5.862 | 5.862 Mbytes -Step CPU Atoms KinEng v_theta - 0 0 0 -0 0 - 1000 0.15327144 444 -0 0.015707963 - 2000 0.30070925 444 -0 0.031415927 - 3000 0.44653535 444 -0 0.04712389 - 4000 0.59226131 444 -0 0.062831853 - 5000 0.73794818 444 -0 0.078539816 - 6000 0.88327622 444 -0 0.09424778 - 7000 1.0286083 444 -0 0.10995574 - 8000 1.1740625 444 -0 0.12566371 - 9000 1.3224797 444 -0 0.14137167 - 10000 1.4717772 444 -0 0.15707963 - 11000 1.6204555 444 -0 0.1727876 - 12000 1.7690799 444 -0 0.18849556 - 13000 1.918304 444 -0 0.20420352 - 14000 2.0670426 444 -0 0.21991149 - 15000 2.2157068 444 -0 0.23561945 - 16000 2.3642888 444 -0 0.25132741 - 17000 2.5129776 444 -0 0.26703538 - 18000 2.6614521 444 -0 0.28274334 - 19000 2.8100598 444 -0 0.2984513 - 20000 2.9591351 444 -0 0.31415927 - 21000 3.1073661 444 -0 0.32986723 - 22000 3.2557554 444 -0 0.34557519 - 23000 3.4041324 444 -0 0.36128316 - 24000 3.5526814 444 -0 0.37699112 - 25000 3.700824 444 -0 0.39269908 - 26000 3.8496137 444 -0 0.40840704 - 27000 3.9986103 444 -0 0.42411501 - 28000 4.1475384 444 -0 0.43982297 - 29000 4.2963772 444 -0 0.45553093 - 30000 4.4454341 444 -0 0.4712389 - 31000 4.5942066 444 -0 0.48694686 - 32000 4.7434044 444 -0 0.50265482 - 33000 4.893549 444 -0 0.51836279 - 34000 5.0427935 444 -0 0.53407075 - 35000 5.1920972 444 -0 0.54977871 - 36000 5.3411844 444 -0 0.56548668 - 37000 5.4904606 444 -0 0.58119464 - 38000 5.6397707 444 -0 0.5969026 - 39000 5.7900345 444 -0 0.61261057 - 40000 5.9405882 444 -0 0.62831853 - 41000 6.089345 444 -0 0.64402649 - 42000 6.2388933 444 -0 0.65973446 - 43000 6.3888056 444 -0 0.67544242 - 44000 6.5379841 444 -0 0.69115038 - 45000 6.6875141 444 -0 0.70685835 - 46000 6.8370855 444 -0 0.72256631 - 47000 6.9866009 444 -0 0.73827427 - 48000 7.1364653 444 -0 0.75398224 - 49000 7.2859883 444 -0 0.7696902 - 50000 7.4368248 444 -0 0.78539816 - 51000 7.5870779 444 -0 0.80110613 - 52000 7.7370813 444 -0 0.81681409 - 53000 7.8879561 444 -0 0.83252205 - 54000 8.0383027 444 -0 0.84823002 - 55000 8.1916294 444 -0 0.86393798 - 56000 8.3458471 444 -0 0.87964594 - 57000 8.5010631 444 -0 0.89535391 - 58000 8.6560545 444 -0 0.91106187 - 59000 8.8110209 444 -0 0.92676983 - 60000 8.9674675 444 -0 0.9424778 - 61000 9.1231239 444 -0 0.95818576 - 62000 9.2785382 444 -0 0.97389372 - 63000 9.4343674 444 -0 0.98960169 - 64000 9.5911541 444 -0 1.0053096 - 65000 9.7477772 444 -0 1.0210176 - 66000 9.9050307 444 -0 1.0367256 - 67000 10.063978 444 -0 1.0524335 - 68000 10.221835 444 -0 1.0681415 - 69000 10.37944 444 -0 1.0838495 - 70000 10.537409 444 -0 1.0995574 - 71000 10.695649 444 -0 1.1152654 - 72000 10.85453 444 -0 1.1309734 - 73000 11.013438 444 -0 1.1466813 - 74000 11.172689 444 -0 1.1623893 - 75000 11.332172 444 -0 1.1780972 - 76000 11.492824 444 -0 1.1938052 - 77000 11.653915 444 -0 1.2095132 - 78000 11.815798 444 -0 1.2252211 - 79000 11.97868 444 -0 1.2409291 - 80000 12.141392 444 -0 1.2566371 - 81000 12.30536 444 -0 1.272345 - 82000 12.468797 444 -0 1.288053 - 83000 12.633028 444 -0 1.303761 - 84000 12.797936 444 -0 1.3194689 - 85000 13.019726 888 -0 1.3351769 - 86000 13.333436 888 -0 1.3508848 - 87000 13.648179 888 -0 1.3665928 - 88000 13.962435 888 -0 1.3823008 - 89000 14.276158 888 -0 1.3980087 - 90000 14.590669 888 -0 1.4137167 - 91000 14.904268 888 -0 1.4294247 - 92000 15.216788 888 -0 1.4451326 - 93000 15.529868 888 -0 1.4608406 - 94000 15.843157 888 -0 1.4765485 - 95000 16.156564 888 -0 1.4922565 - 96000 16.469569 888 -0 1.5079645 - 97000 16.784048 888 -0 1.5236724 - 98000 17.100451 888 -0 1.5393804 - 99000 17.416338 888 -0 1.5550884 - 100000 17.733482 888 -0 1.5707963 - 101000 18.052522 888 -0 1.5865043 - 102000 18.371428 888 -0 1.6022123 - 103000 18.690222 888 -0 1.6179202 - 104000 19.009665 888 -0 1.6336282 - 105000 19.328189 888 -0 1.6493361 - 106000 19.647804 888 -0 1.6650441 - 107000 19.96805 888 -0 1.6807521 - 108000 20.286857 888 -0 1.69646 - 109000 20.607965 888 -0 1.712168 - 110000 20.931749 888 -0 1.727876 - 111000 21.251903 888 -0 1.7435839 - 112000 21.572158 888 -0 1.7592919 - 113000 21.892612 888 -0 1.7749998 - 114000 22.214408 888 -0 1.7907078 - 115000 22.535498 888 -0 1.8064158 - 116000 22.856752 888 -0 1.8221237 - 117000 23.178885 888 -0 1.8378317 - 118000 23.501127 888 -0 1.8535397 - 119000 23.8241 888 -0 1.8692476 - 120000 24.147258 888 -0 1.8849556 - 121000 24.472969 888 -0 1.9006636 - 122000 24.799108 888 -0 1.9163715 - 123000 25.125275 888 -0 1.9320795 - 124000 25.453866 888 -0 1.9477874 - 125000 25.784766 888 -0 1.9634954 - 126000 26.117013 888 -0 1.9792034 - 127000 26.448734 888 -0 1.9949113 - 128000 26.780032 888 -0 2.0106193 - 129000 27.113678 888 -0 2.0263273 - 130000 27.450001 888 -0 2.0420352 - 131000 27.782047 888 -0 2.0577432 - 132000 28.114287 888 -0 2.0734512 - 133000 28.446648 888 -0 2.0891591 - 134000 28.780438 888 -0 2.1048671 - 135000 29.116443 888 -0 2.120575 - 136000 29.451848 888 -0 2.136283 - 137000 29.787778 888 -0 2.151991 - 138000 30.12804 888 -0 2.1676989 - 139000 30.46814 888 -0 2.1834069 - 140000 30.808946 888 -0 2.1991149 - 141000 31.147584 888 -0 2.2148228 - 142000 31.486475 888 -0 2.2305308 - 143000 31.826754 888 -0 2.2462387 - 144000 32.165796 888 -0 2.2619467 - 145000 32.506074 888 -0 2.2776547 - 146000 32.847604 888 -0 2.2933626 - 147000 33.188988 888 -0 2.3090706 - 148000 33.532869 888 -0 2.3247786 - 149000 33.876629 888 -0 2.3404865 - 150000 34.221172 888 -0 2.3561945 - 151000 34.562559 888 -0 2.3719025 - 152000 34.904679 888 -0 2.3876104 - 153000 35.247727 888 -0 2.4033184 - 154000 35.591228 888 -0 2.4190263 - 155000 35.949192 888 -0 2.4347343 - 156000 36.320157 888 -0 2.4504423 - 157000 36.693571 888 -0 2.4661502 - 158000 37.069463 888 -0 2.4818582 - 159000 37.44221 888 -0 2.4975662 - 160000 37.81863 888 -0 2.5132741 - 161000 38.195121 888 -0 2.5289821 - 162000 38.573424 888 -0 2.54469 - 163000 38.950044 888 -0 2.560398 - 164000 39.331977 888 -0 2.576106 - 165000 39.714367 888 -0 2.5918139 - 166000 40.097099 888 -0 2.6075219 - 167000 40.477443 888 -0 2.6232299 - 168000 40.860404 888 -0 2.6389378 - 169000 41.244357 888 -0 2.6546458 - 170000 41.658126 1000 -0 2.6703538 - 171000 42.082517 1000 -0 2.6860617 - 172000 42.507502 1000 -0 2.7017697 - 173000 42.93363 1000 -0 2.7174776 - 174000 43.361133 1000 -0 2.7331856 - 175000 43.792381 1000 -0 2.7488936 - 176000 44.223827 1000 -0 2.7646015 - 177000 44.656581 1000 -0 2.7803095 - 178000 45.087615 1000 -0 2.7960175 - 179000 45.521129 1000 -0 2.8117254 - 180000 45.957808 1000 -0 2.8274334 - 181000 46.391451 1000 -0 2.8431414 - 182000 46.825486 1000 -0 2.8588493 - 183000 47.26091 1000 -0 2.8745573 - 184000 47.694263 1000 -0 2.8902652 - 185000 48.123312 1000 -0 2.9059732 - 186000 48.554081 1000 -0 2.9216812 - 187000 48.982617 1000 -0 2.9373891 - 188000 49.414355 1000 -0 2.9530971 - 189000 49.84753 1000 -0 2.9688051 - 190000 50.284462 1000 -0 2.984513 - 191000 50.71899 1000 -0 3.000221 - 192000 51.157278 1000 -0 3.0159289 - 193000 51.586171 1000 -0 3.0316369 - 194000 52.011691 1000 -0 3.0473449 - 195000 52.437732 1000 -0 3.0630528 - 196000 52.863703 1000 -0 3.0787608 - 197000 53.290403 1000 -0 3.0944688 - 198000 53.7191 1000 -0 3.1101767 - 199000 54.147195 1000 -0 3.1258847 - 200000 54.575967 1000 -0 3.1415927 -Loop time of 54.576 on 1 procs for 200000 steps with 1000 atoms - -Performance: 14960.907 tau/day, 3664.615 timesteps/s -98.9% CPU use with 1 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 3.7989 | 3.7989 | 3.7989 | 0.0 | 6.96 -Neigh | 0.067629 | 0.067629 | 0.067629 | 0.0 | 0.12 -Comm | 0.63734 | 0.63734 | 0.63734 | 0.0 | 1.17 -Output | 0.0049303 | 0.0049303 | 0.0049303 | 0.0 | 0.01 -Modify | 49.1 | 49.1 | 49.1 | 0.0 | 89.97 -Other | | 0.9668 | | | 1.77 - -Nlocal: 1000 ave 1000 max 1000 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 196 ave 196 max 196 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 3910 ave 3910 max 3910 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 3910 -Ave neighs/atom = 3.91 -Neighbor list builds = 219 -Dangerous builds = 0 -unfix ins -run 200000 -Per MPI rank memory allocation (min/avg/max) = 12.65 | 12.65 | 12.65 Mbytes -Step CPU Atoms KinEng v_theta - 200000 0 1000 0.93873133 3.1415927 - 201000 0.4261198 1000 0.93239566 3.1573006 - 202000 0.84928846 1000 0.90333835 3.1730086 - 203000 1.2720087 1000 0.89351493 3.1887165 - 204000 1.6929317 1000 0.87648478 3.2044245 - 205000 2.114043 1000 0.86818482 3.2201325 - 206000 2.5357664 1000 0.86033251 3.2358404 - 207000 2.9579847 1000 0.85442625 3.2515484 - 208000 3.3812878 1000 0.8517451 3.2672564 - 209000 3.8124611 1000 0.84406987 3.2829643 - 210000 4.2440236 1000 0.83964642 3.2986723 - 211000 4.6781921 1000 0.82994066 3.3143802 - 212000 5.1116509 1000 0.82908369 3.3300882 - 213000 5.5468135 1000 0.83115482 3.3457962 - 214000 5.9802556 1000 0.82680518 3.3615041 - 215000 6.4107294 1000 0.8223909 3.3772121 - 216000 6.8419023 1000 0.81872537 3.3929201 - 217000 7.2763367 1000 0.82446065 3.408628 - 218000 7.7160695 1000 0.82278874 3.424336 - 219000 8.1540956 1000 0.83017397 3.440044 - 220000 8.5917952 1000 0.82232305 3.4557519 - 221000 9.0296218 1000 0.82584132 3.4714599 - 222000 9.4719794 1000 0.82143909 3.4871678 - 223000 9.9180939 1000 0.82925587 3.5028758 - 224000 10.361852 1000 0.84546265 3.5185838 - 225000 10.803539 1000 0.84436452 3.5342917 - 226000 11.248456 1000 0.84849375 3.5499997 - 227000 11.695092 1000 0.8409057 3.5657077 - 228000 12.136044 1000 0.83139305 3.5814156 - 229000 12.579807 1000 0.83098473 3.5971236 - 230000 13.02219 1000 0.81335147 3.6128316 - 231000 13.463863 1000 0.78946649 3.6285395 - 232000 13.906293 1000 0.78807613 3.6442475 - 233000 14.348807 1000 0.79086655 3.6599554 - 234000 14.793175 1000 0.79358862 3.6756634 - 235000 15.238316 1000 0.79444252 3.6913714 - 236000 15.683342 1000 0.79392156 3.7070793 - 237000 16.12611 1000 0.80416034 3.7227873 - 238000 16.5711 1000 0.80365093 3.7384953 - 239000 17.014355 1000 0.80860323 3.7542032 - 240000 17.454467 1000 0.80245788 3.7699112 - 241000 17.89162 1000 0.79602568 3.7856191 - 242000 18.330859 1000 0.79023692 3.8013271 - 243000 18.769301 1000 0.79066782 3.8170351 - 244000 19.211293 1000 0.77671368 3.832743 - 245000 19.651443 1000 0.77121874 3.848451 - 246000 20.092102 1000 0.74658977 3.864159 - 247000 20.532732 1000 0.73825017 3.8798669 - 248000 20.975646 1000 0.7187986 3.8955749 - 249000 21.418807 1000 0.71707058 3.9112829 - 250000 21.862497 1000 0.72983635 3.9269908 - 251000 22.311832 1000 0.7355358 3.9426988 - 252000 22.75883 1000 0.74427811 3.9584067 - 253000 23.203455 1000 0.74968093 3.9741147 - 254000 23.651472 1000 0.75350303 3.9898227 - 255000 24.102152 1000 0.75617916 4.0055306 - 256000 24.554236 1000 0.74949839 4.0212386 - 257000 25.008718 1000 0.73534118 4.0369466 - 258000 25.461913 1000 0.73761942 4.0526545 - 259000 25.916674 1000 0.75485851 4.0683625 - 260000 26.373941 1000 0.77147511 4.0840704 - 261000 26.832072 1000 0.76658917 4.0997784 - 262000 27.28741 1000 0.76441563 4.1154864 - 263000 27.742157 1000 0.74449444 4.1311943 - 264000 28.192718 1000 0.7403314 4.1469023 - 265000 28.642541 1000 0.74262656 4.1626103 - 266000 29.09406 1000 0.74117022 4.1783182 - 267000 29.547747 1000 0.73877643 4.1940262 - 268000 29.998243 1000 0.75062626 4.2097342 - 269000 30.449751 1000 0.74649396 4.2254421 - 270000 30.901232 1000 0.75371324 4.2411501 - 271000 31.354755 1000 0.75254842 4.256858 - 272000 31.810717 1000 0.74245946 4.272566 - 273000 32.265754 1000 0.73056023 4.288274 - 274000 32.719719 1000 0.72004393 4.3039819 - 275000 33.173929 1000 0.70665742 4.3196899 - 276000 33.628581 1000 0.69417262 4.3353979 - 277000 34.080936 1000 0.67343474 4.3511058 - 278000 34.532053 1000 0.66922758 4.3668138 - 279000 34.985569 1000 0.66239909 4.3825218 - 280000 35.443496 1000 0.66406486 4.3982297 - 281000 35.901536 1000 0.67123654 4.4139377 - 282000 36.357765 1000 0.67660885 4.4296456 - 283000 36.811956 1000 0.6809288 4.4453536 - 284000 37.266937 1000 0.69561154 4.4610616 - 285000 37.720866 1000 0.70874512 4.4767695 - 286000 38.177032 1000 0.72957833 4.4924775 - 287000 38.633109 1000 0.72891066 4.5081855 - 288000 39.086933 1000 0.72673285 4.5238934 - 289000 39.538699 1000 0.72583062 4.5396014 - 290000 39.991294 1000 0.7209406 4.5553093 - 291000 40.437987 1000 0.70642559 4.5710173 - 292000 40.885753 1000 0.69074151 4.5867253 - 293000 41.326601 1000 0.68041469 4.6024332 - 294000 41.763719 1000 0.6712034 4.6181412 - 295000 42.198532 1000 0.66140336 4.6338492 - 296000 42.635139 1000 0.65458145 4.6495571 - 297000 43.071132 1000 0.63884999 4.6652651 - 298000 43.507309 1000 0.63182296 4.6809731 - 299000 43.943936 1000 0.6324286 4.696681 - 300000 44.383148 1000 0.62640427 4.712389 - 301000 44.819379 1000 0.62138494 4.7280969 - 302000 45.260834 1000 0.62902694 4.7438049 - 303000 45.705719 1000 0.63308052 4.7595129 - 304000 46.14622 1000 0.63266845 4.7752208 - 305000 46.586693 1000 0.63464534 4.7909288 - 306000 47.028768 1000 0.62941378 4.8066368 - 307000 47.470183 1000 0.62801025 4.8223447 - 308000 47.914518 1000 0.62291875 4.8380527 - 309000 48.365654 1000 0.62529494 4.8537606 - 310000 48.817185 1000 0.62504442 4.8694686 - 311000 49.269423 1000 0.63074915 4.8851766 - 312000 49.722869 1000 0.64292914 4.9008845 - 313000 50.175859 1000 0.65319818 4.9165925 - 314000 50.630132 1000 0.66755513 4.9323005 - 315000 51.084836 1000 0.67585436 4.9480084 - 316000 51.539391 1000 0.67676226 4.9637164 - 317000 51.995233 1000 0.67394312 4.9794244 - 318000 52.453581 1000 0.67299959 4.9951323 - 319000 52.906322 1000 0.68074615 5.0108403 - 320000 53.362206 1000 0.67696004 5.0265482 - 321000 53.813824 1000 0.67899008 5.0422562 - 322000 54.264433 1000 0.67901671 5.0579642 - 323000 54.715627 1000 0.67620354 5.0736721 - 324000 55.168 1000 0.67165541 5.0893801 - 325000 55.620891 1000 0.67820953 5.1050881 - 326000 56.073685 1000 0.67490808 5.120796 - 327000 56.526012 1000 0.67238149 5.136504 - 328000 56.977525 1000 0.66885914 5.152212 - 329000 57.431088 1000 0.66876389 5.1679199 - 330000 57.886694 1000 0.66879597 5.1836279 - 331000 58.338381 1000 0.66577546 5.1993358 - 332000 58.791084 1000 0.6602875 5.2150438 - 333000 59.242965 1000 0.65879422 5.2307518 - 334000 59.698559 1000 0.6581474 5.2464597 - 335000 60.153261 1000 0.6521249 5.2621677 - 336000 60.605605 1000 0.63371979 5.2778757 - 337000 61.059824 1000 0.62373279 5.2935836 - 338000 61.510606 1000 0.6212013 5.3092916 - 339000 61.962049 1000 0.62303395 5.3249995 - 340000 62.413564 1000 0.63183785 5.3407075 - 341000 62.86366 1000 0.64387158 5.3564155 - 342000 63.317623 1000 0.65045982 5.3721234 - 343000 63.772034 1000 0.65401192 5.3878314 - 344000 64.225206 1000 0.65181077 5.4035394 - 345000 64.681317 1000 0.64098248 5.4192473 - 346000 65.136483 1000 0.63163559 5.4349553 - 347000 65.588996 1000 0.64182161 5.4506633 - 348000 66.042215 1000 0.65528889 5.4663712 - 349000 66.501687 1000 0.66603277 5.4820792 - 350000 66.960896 1000 0.67362185 5.4977871 - 351000 67.417316 1000 0.68867905 5.5134951 - 352000 67.876742 1000 0.6907547 5.5292031 - 353000 68.336836 1000 0.69043981 5.544911 - 354000 68.797396 1000 0.68676964 5.560619 - 355000 69.255062 1000 0.68019369 5.576327 - 356000 69.711663 1000 0.66189875 5.5920349 - 357000 70.172728 1000 0.65275709 5.6077429 - 358000 70.632655 1000 0.64560617 5.6234508 - 359000 71.091165 1000 0.63865266 5.6391588 - 360000 71.548341 1000 0.6366388 5.6548668 - 361000 72.006137 1000 0.63619567 5.6705747 - 362000 72.466621 1000 0.63986167 5.6862827 - 363000 72.928505 1000 0.656198 5.7019907 - 364000 73.391876 1000 0.66522563 5.7176986 - 365000 73.852366 1000 0.67330205 5.7334066 - 366000 74.317924 1000 0.67997811 5.7491146 - 367000 74.781431 1000 0.67734915 5.7648225 - 368000 75.24363 1000 0.66811078 5.7805305 - 369000 75.704319 1000 0.67232161 5.7962384 - 370000 76.165294 1000 0.67262944 5.8119464 - 371000 76.624971 1000 0.68614241 5.8276544 - 372000 77.085918 1000 0.70293842 5.8433623 - 373000 77.544679 1000 0.71889856 5.8590703 - 374000 78.007103 1000 0.7170296 5.8747783 - 375000 78.468913 1000 0.71258031 5.8904862 - 376000 78.93354 1000 0.70758873 5.9061942 - 377000 79.39396 1000 0.69486822 5.9219022 - 378000 79.850685 1000 0.68311194 5.9376101 - 379000 80.307228 1000 0.67317549 5.9533181 - 380000 80.767418 1000 0.67691049 5.969026 - 381000 81.227579 1000 0.69231691 5.984734 - 382000 81.686924 1000 0.69998609 6.000442 - 383000 82.145783 1000 0.69328258 6.0161499 - 384000 82.604827 1000 0.69903908 6.0318579 - 385000 83.056443 1000 0.69455744 6.0475659 - 386000 83.507131 1000 0.68865933 6.0632738 - 387000 83.95695 1000 0.68630439 6.0789818 - 388000 84.404079 1000 0.6800564 6.0946897 - 389000 84.851053 1000 0.66747339 6.1103977 - 390000 85.298614 1000 0.65695883 6.1261057 - 391000 85.744507 1000 0.65659359 6.1418136 - 392000 86.191348 1000 0.65933663 6.1575216 - 393000 86.632782 1000 0.65170236 6.1732296 - 394000 87.074105 1000 0.65631817 6.1889375 - 395000 87.5177 1000 0.66205838 6.2046455 - 396000 87.963111 1000 0.65512694 6.2203535 - 397000 88.408348 1000 0.65266011 6.2360614 - 398000 88.854042 1000 0.64593806 6.2517694 - 399000 89.298754 1000 0.64940473 6.2674773 - 400000 89.745445 1000 0.66033435 6.2831853 -Loop time of 89.7455 on 1 procs for 200000 steps with 1000 atoms - -Performance: 9098.023 tau/day, 2228.525 timesteps/s -98.9% CPU use with 1 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 10.924 | 10.924 | 10.924 | 0.0 | 12.17 -Neigh | 0.10266 | 0.10266 | 0.10266 | 0.0 | 0.11 -Comm | 1.9424 | 1.9424 | 1.9424 | 0.0 | 2.16 -Output | 0.0056458 | 0.0056458 | 0.0056458 | 0.0 | 0.01 -Modify | 75.442 | 75.442 | 75.442 | 0.0 | 84.06 -Other | | 1.329 | | | 1.48 - -Nlocal: 1000 ave 1000 max 1000 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 272 ave 272 max 272 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 4933 ave 4933 max 4933 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 4933 -Ave neighs/atom = 4.933 -Neighbor list builds = 171 -Dangerous builds = 0 -Total wall time: 0:02:24 diff --git a/examples/granregion/log.27Nov18.granregion.mixer.g++.4 b/examples/granregion/log.27Nov18.granregion.mixer.g++.4 deleted file mode 100644 index be690a7df5..0000000000 --- a/examples/granregion/log.27Nov18.granregion.mixer.g++.4 +++ /dev/null @@ -1,602 +0,0 @@ -LAMMPS (27 Nov 2018) -OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87) - using 1 OpenMP thread(s) per MPI task -variable name string mixer - -thermo_modify flush yes -variable seed equal 14314 - -############################################### -# Particle parameters -################################################ - -variable rlo equal 0.3 -variable rhi equal 0.6 -variable dlo equal 2.0*${rlo} -variable dlo equal 2.0*0.3 -variable dhi equal 2.0*${rhi} -variable dhi equal 2.0*0.6 -variable skin equal ${rhi} -variable skin equal 0.6 - -variable coeffRes equal 0.1 -variable coeffFric equal 0.5 - -variable kn equal 10^5 -variable kt equal 0.2*${kn} -variable kt equal 0.2*100000 - -variable gravity equal 1.0 -variable density equal 1.0 - -variable min_mass equal ${density}*4.0/3.0*PI*${rlo}*${rlo}*${rlo} -variable min_mass equal 1*4.0/3.0*PI*${rlo}*${rlo}*${rlo} -variable min_mass equal 1*4.0/3.0*PI*0.3*${rlo}*${rlo} -variable min_mass equal 1*4.0/3.0*PI*0.3*0.3*${rlo} -variable min_mass equal 1*4.0/3.0*PI*0.3*0.3*0.3 -variable a equal (-2.0*log(${coeffRes})/PI)^2 -variable a equal (-2.0*log(0.1)/PI)^2 -variable gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a)) -variable gamma_n equal sqrt(0.405284734569351*2*${kn}/${min_mass}/(1+0.25*$a)) -variable gamma_n equal sqrt(0.405284734569351*2*100000/${min_mass}/(1+0.25*$a)) -variable gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*$a)) -variable gamma_n equal sqrt(0.405284734569351*2*100000/0.113097335529233/(1+0.25*0.405284734569351)) -variable gamma_t equal ${gamma_n}*0.5 -variable gamma_t equal 806.699778405191*0.5 - -variable tcol equal PI/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0) -variable tcol equal PI/sqrt(2*100000/${min_mass}-${gamma_n}/4.0) -variable tcol equal PI/sqrt(2*100000/0.113097335529233-${gamma_n}/4.0) -variable tcol equal PI/sqrt(2*100000/0.113097335529233-806.699778405191/4.0) - -variable dt equal ${tcol}*0.02 -variable dt equal 0.00236257621510454*0.02 -timestep ${dt} -timestep 4.72515243020908e-05 - -############################################### - -variable dumpfreq equal 1000 -variable logfreq equal 1000 - -newton on -atom_style sphere - -boundary p p f - -region boxreg block 0 20 0 20 0 20 -create_box 1 boxreg -Created orthogonal box = (0 0 0) to (20 20 20) - 1 by 2 by 2 MPI processor grid - -pair_style gran/hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 -pair_style gran/hertz/history 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 -pair_style gran/hertz/history 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 -pair_style gran/hertz/history 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 -pair_style gran/hertz/history 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 -pair_style gran/hertz/history 100000 20000 806.699778405191 403.349889202595 0.5 1 -pair_coeff * * - -neighbor ${skin} bin -neighbor 0.6 bin -thermo ${logfreq} -thermo 1000 - -comm_style brick -comm_modify mode multi group all vel yes -balance 1.1 shift xyz 20 1.1 -Neighbor list info ... - update every 1 steps, delay 10 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 0 - ghost atom cutoff = 0 - binsize = 20, bins = 1 1 1 - 1 neighbor lists, perpetual/occasional/extra = 1 0 0 - (1) pair gran/hertz/history, perpetual - attributes: half, newton on, size, history - pair build: half/size/bin/newton - stencil: half/bin/3d/newton - bin: standard -fix bal all balance 10000 1.1 shift xyz 20 1.01 - -####################### Options specific to pouring ######################### - -region insreg cylinder z 10 10 8 10 18 side in units box -region cylreg cylinder z 10 10 10 0 20 side in units box - -variable theta equal (step/400000)*2*PI - -region b1 block 2 18 9 11 0 4 side out rotate v_theta 10 10 0 0 0 1 units box -region b2 block 9 11 2 18 0 3.99999 side out rotate v_theta 10 10 0 0 0 1 units box - -region mixer intersect 3 cylreg b1 b2 side in - -fix grav all gravity ${gravity} vector 0 0 -1 -fix grav all gravity 1 vector 0 0 -1 -fix 1 all nve/sphere - -fix mixwall all wall/gran/region hertz/history ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer -fix mixwall all wall/gran/region hertz/history 100000 ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer -fix mixwall all wall/gran/region hertz/history 100000 20000 ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer -fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 ${gamma_t} ${coeffFric} 1 region mixer -fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 403.349889202595 ${coeffFric} 1 region mixer -fix mixwall all wall/gran/region hertz/history 100000 20000 806.699778405191 403.349889202595 0.5 1 region mixer - -fix ins all pour 1000 1 42424 region insreg diam range ${dlo} ${dhi} dens ${density} ${density} -fix ins all pour 1000 1 42424 region insreg diam range 0.6 ${dhi} dens ${density} ${density} -fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens ${density} ${density} -fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens 1 ${density} -fix ins all pour 1000 1 42424 region insreg diam range 0.6 1.2 dens 1 1 -Particle insertion: 444 every 84653 steps, 1000 by step 169307 - -#dump 1 all custom ${dumpfreq} ${name}_pour.dump # id type mass diameter x y z - -#dump 2 all image 4000 image.*.jpg type type # axes yes 0.8 0.02 view 60 -30 zoom 1.5 # box no 0.0 axes no 0.0 0.0 -#dump_modify 2 pad 6 - -thermo_style custom step cpu atoms ke v_theta -WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:705) -thermo_modify flush yes lost warn - -run 200000 -Per MPI rank memory allocation (min/avg/max) = 5.817 | 5.817 | 5.817 Mbytes -Step CPU Atoms KinEng v_theta - 0 0 0 -0 0 - 1000 0.096722603 444 -0 0.015707963 - 2000 0.18796778 444 -0 0.031415927 - 3000 0.27916241 444 -0 0.04712389 - 4000 0.37111688 444 -0 0.062831853 - 5000 0.46224833 444 -0 0.078539816 - 6000 0.55190682 444 -0 0.09424778 - 7000 0.64120579 444 -0 0.10995574 - 8000 0.73025131 444 -0 0.12566371 - 9000 0.82121348 444 -0 0.14137167 - 10000 0.91006637 444 -0 0.15707963 - 11000 0.97034311 444 -0 0.1727876 - 12000 1.030247 444 -0 0.18849556 - 13000 1.0894752 444 -0 0.20420352 - 14000 1.1483686 444 -0 0.21991149 - 15000 1.2138393 444 -0 0.23561945 - 16000 1.2744856 444 -0 0.25132741 - 17000 1.3361425 444 -0 0.26703538 - 18000 1.3998857 444 -0 0.28274334 - 19000 1.4625463 444 -0 0.2984513 - 20000 1.5255082 444 -0 0.31415927 - 21000 1.5845048 444 -0 0.32986723 - 22000 1.6437175 444 -0 0.34557519 - 23000 1.7022173 444 -0 0.36128316 - 24000 1.7614172 444 -0 0.37699112 - 25000 1.8209105 444 -0 0.39269908 - 26000 1.8818901 444 -0 0.40840704 - 27000 1.9439991 444 -0 0.42411501 - 28000 2.0067189 444 -0 0.43982297 - 29000 2.0697014 444 -0 0.45553093 - 30000 2.1327429 444 -0 0.4712389 - 31000 2.1904151 444 -0 0.48694686 - 32000 2.2478669 444 -0 0.50265482 - 33000 2.3062997 444 -0 0.51836279 - 34000 2.3723967 444 -0 0.53407075 - 35000 2.4331915 444 -0 0.54977871 - 36000 2.4937904 444 -0 0.56548668 - 37000 2.5550685 444 -0 0.58119464 - 38000 2.6170652 444 -0 0.5969026 - 39000 2.6789875 444 -0 0.61261057 - 40000 2.7414019 444 -0 0.62831853 - 41000 2.799027 444 -0 0.64402649 - 42000 2.8570235 444 -0 0.65973446 - 43000 2.9140713 444 -0 0.67544242 - 44000 2.9702985 444 -0 0.69115038 - 45000 3.0274565 444 -0 0.70685835 - 46000 3.0860338 444 -0 0.72256631 - 47000 3.1450455 444 -0 0.73827427 - 48000 3.2057948 444 -0 0.75398224 - 49000 3.267339 444 -0 0.7696902 - 50000 3.3300545 444 -0 0.78539816 - 51000 3.3942592 444 -0 0.80110613 - 52000 3.4522727 444 -0 0.81681409 - 53000 3.5117693 444 -0 0.83252205 - 54000 3.5717957 444 -0 0.84823002 - 55000 3.6338761 444 -0 0.86393798 - 56000 3.7006576 444 -0 0.87964594 - 57000 3.7648654 444 -0 0.89535391 - 58000 3.829128 444 -0 0.91106187 - 59000 3.8930187 444 -0 0.92676983 - 60000 3.9581499 444 -0 0.9424778 - 61000 4.0213017 444 -0 0.95818576 - 62000 4.0822632 444 -0 0.97389372 - 63000 4.1443422 444 -0 0.98960169 - 64000 4.2072315 444 -0 1.0053096 - 65000 4.2711387 444 -0 1.0210176 - 66000 4.3361402 444 -0 1.0367256 - 67000 4.4031398 444 -0 1.0524335 - 68000 4.4698064 444 -0 1.0681415 - 69000 4.5374978 444 -0 1.0838495 - 70000 4.6051283 444 -0 1.0995574 - 71000 4.6694169 444 -0 1.1152654 - 72000 4.7335079 444 -0 1.1309734 - 73000 4.7967482 444 -0 1.1466813 - 74000 4.8603547 444 -0 1.1623893 - 75000 4.9250085 444 -0 1.1780972 - 76000 4.9909372 444 -0 1.1938052 - 77000 5.0578024 444 -0 1.2095132 - 78000 5.1250138 444 -0 1.2252211 - 79000 5.1929755 444 -0 1.2409291 - 80000 5.2627637 444 -0 1.2566371 - 81000 5.3280981 444 -0 1.272345 - 82000 5.3957336 444 -0 1.288053 - 83000 5.4648135 444 -0 1.303761 - 84000 5.5368683 444 -0 1.3194689 - 85000 5.6352935 888 -0 1.3351769 - 86000 5.7708502 888 -0 1.3508848 - 87000 5.9051492 888 -0 1.3665928 - 88000 6.0384896 888 -0 1.3823008 - 89000 6.1714747 888 -0 1.3980087 - 90000 6.3042989 888 -0 1.4137167 - 91000 6.4114611 888 -0 1.4294247 - 92000 6.5164247 888 -0 1.4451326 - 93000 6.6219602 888 -0 1.4608406 - 94000 6.728405 888 -0 1.4765485 - 95000 6.8411646 888 -0 1.4922565 - 96000 6.9479821 888 -0 1.5079645 - 97000 7.0569239 888 -0 1.5236724 - 98000 7.1673372 888 -0 1.5393804 - 99000 7.2778809 888 -0 1.5550884 - 100000 7.398834 888 -0 1.5707963 - 101000 7.5066864 888 -0 1.5865043 - 102000 7.6158357 888 -0 1.6022123 - 103000 7.725111 888 -0 1.6179202 - 104000 7.8344197 888 -0 1.6336282 - 105000 7.9532022 888 -0 1.6493361 - 106000 8.0643187 888 -0 1.6650441 - 107000 8.1765473 888 -0 1.6807521 - 108000 8.2890661 888 -0 1.69646 - 109000 8.4048562 888 -0 1.712168 - 110000 8.5208168 888 -0 1.727876 - 111000 8.6303153 888 -0 1.7435839 - 112000 8.7401052 888 -0 1.7592919 - 113000 8.8518219 888 -0 1.7749998 - 114000 8.9638157 888 -0 1.7907078 - 115000 9.0766122 888 -0 1.8064158 - 116000 9.1908746 888 -0 1.8221237 - 117000 9.306145 888 -0 1.8378317 - 118000 9.4229569 888 -0 1.8535397 - 119000 9.5407412 888 -0 1.8692476 - 120000 9.6574531 888 -0 1.8849556 - 121000 9.7683234 888 -0 1.9006636 - 122000 9.8812008 888 -0 1.9163715 - 123000 9.9952521 888 -0 1.9320795 - 124000 10.111879 888 -0 1.9477874 - 125000 10.228812 888 -0 1.9634954 - 126000 10.347842 888 -0 1.9792034 - 127000 10.47052 888 -0 1.9949113 - 128000 10.593136 888 -0 2.0106193 - 129000 10.718124 888 -0 2.0263273 - 130000 10.844211 888 -0 2.0420352 - 131000 10.959177 888 -0 2.0577432 - 132000 11.075781 888 -0 2.0734512 - 133000 11.191418 888 -0 2.0891591 - 134000 11.313376 888 -0 2.1048671 - 135000 11.432321 888 -0 2.120575 - 136000 11.551893 888 -0 2.136283 - 137000 11.672695 888 -0 2.151991 - 138000 11.793487 888 -0 2.1676989 - 139000 11.914089 888 -0 2.1834069 - 140000 12.037441 888 -0 2.1991149 - 141000 12.161974 888 -0 2.2148228 - 142000 12.286641 888 -0 2.2305308 - 143000 12.414012 888 -0 2.2462387 - 144000 12.540939 888 -0 2.2619467 - 145000 12.66985 888 -0 2.2776547 - 146000 12.79975 888 -0 2.2933626 - 147000 12.932702 888 -0 2.3090706 - 148000 13.066088 888 -0 2.3247786 - 149000 13.200814 888 -0 2.3404865 - 150000 13.33565 888 -0 2.3561945 - 151000 13.465995 888 -0 2.3719025 - 152000 13.586622 888 -0 2.3876104 - 153000 13.711423 888 -0 2.4033184 - 154000 13.835058 888 -0 2.4190263 - 155000 13.967661 888 -0 2.4347343 - 156000 14.100609 888 -0 2.4504423 - 157000 14.234485 888 -0 2.4661502 - 158000 14.373325 888 -0 2.4818582 - 159000 14.510608 888 -0 2.4975662 - 160000 14.651416 888 -0 2.5132741 - 161000 14.785767 888 -0 2.5289821 - 162000 14.921569 888 -0 2.54469 - 163000 15.058895 888 -0 2.560398 - 164000 15.198786 888 -0 2.576106 - 165000 15.341662 888 -0 2.5918139 - 166000 15.487128 888 -0 2.6075219 - 167000 15.649383 888 -0 2.6232299 - 168000 15.795388 888 -0 2.6389378 - 169000 15.942671 888 -0 2.6546458 - 170000 16.091824 1000 -0 2.6703538 - 171000 16.239863 1000 -0 2.6860617 - 172000 16.391118 1000 -0 2.7017697 - 173000 16.5417 1000 -0 2.7174776 - 174000 16.69479 1000 -0 2.7331856 - 175000 16.847412 1000 -0 2.7488936 - 176000 17.000374 1000 -0 2.7646015 - 177000 17.15471 1000 -0 2.7803095 - 178000 17.31284 1000 -0 2.7960175 - 179000 17.46991 1000 -0 2.8117254 - 180000 17.629018 1000 -0 2.8274334 - 181000 17.787736 1000 -0 2.8431414 - 182000 17.946197 1000 -0 2.8588493 - 183000 18.105271 1000 -0 2.8745573 - 184000 18.263731 1000 -0 2.8902652 - 185000 18.433277 1000 -0 2.9059732 - 186000 18.594456 1000 -0 2.9216812 - 187000 18.755532 1000 -0 2.9373891 - 188000 18.918447 1000 -0 2.9530971 - 189000 19.080359 1000 -0 2.9688051 - 190000 19.243927 1000 -0 2.984513 - 191000 19.395044 1000 -0 3.000221 - 192000 19.546837 1000 -0 3.0159289 - 193000 19.695827 1000 -0 3.0316369 - 194000 19.843856 1000 -0 3.0473449 - 195000 19.993821 1000 -0 3.0630528 - 196000 20.145787 1000 -0 3.0787608 - 197000 20.298114 1000 -0 3.0944688 - 198000 20.45074 1000 -0 3.1101767 - 199000 20.607595 1000 -0 3.1258847 - 200000 20.760979 1000 -0 3.1415927 -Loop time of 20.7611 on 4 procs for 200000 steps with 1000 atoms - -Performance: 39328.699 tau/day, 9633.409 timesteps/s -98.0% CPU use with 4 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.57172 | 0.93292 | 1.2995 | 37.1 | 4.49 -Neigh | 0.015648 | 0.018747 | 0.02175 | 2.1 | 0.09 -Comm | 3.17 | 3.6151 | 4.0856 | 23.0 | 17.41 -Output | 0.0051017 | 0.012686 | 0.033359 | 10.6 | 0.06 -Modify | 12.36 | 13.269 | 14.095 | 21.8 | 63.91 -Other | | 2.912 | | | 14.03 - -Nlocal: 250 ave 270 max 230 min -Histogram: 1 0 0 0 1 0 1 0 0 1 -Nghost: 297 ave 337 max 234 min -Histogram: 1 0 0 0 0 1 0 0 0 2 -Neighs: 982.5 ave 1580 max 496 min -Histogram: 2 0 0 0 0 0 0 1 0 1 - -Total # of neighbors = 3930 -Ave neighs/atom = 3.93 -Neighbor list builds = 218 -Dangerous builds = 0 -unfix ins -run 200000 -Per MPI rank memory allocation (min/avg/max) = 12 | 12.19 | 12.35 Mbytes -Step CPU Atoms KinEng v_theta - 200000 0 1000 0.89289812 3.1415927 - 201000 0.15554476 1000 0.90162438 3.1573006 - 202000 0.31118774 1000 0.89175077 3.1730086 - 203000 0.47266722 1000 0.88068523 3.1887165 - 204000 0.64758801 1000 0.88775074 3.2044245 - 205000 0.85137105 1000 0.89009449 3.2201325 - 206000 1.0712745 1000 0.89031724 3.2358404 - 207000 1.3620427 1000 0.90901476 3.2515484 - 208000 1.6051998 1000 0.91977358 3.2672564 - 209000 1.7975032 1000 0.92044257 3.2829643 - 210000 1.9654117 1000 0.90550844 3.2986723 - 211000 2.1186137 1000 0.90179135 3.3143802 - 212000 2.2714169 1000 0.90474936 3.3300882 - 213000 2.4236252 1000 0.9011002 3.3457962 - 214000 2.5737655 1000 0.89619815 3.3615041 - 215000 2.7326233 1000 0.89129064 3.3772121 - 216000 2.8794787 1000 0.88785486 3.3929201 - 217000 3.0264313 1000 0.89448821 3.408628 - 218000 3.1743443 1000 0.89323746 3.424336 - 219000 3.3225086 1000 0.88176869 3.440044 - 220000 3.4717121 1000 0.86989815 3.4557519 - 221000 3.6229391 1000 0.85900389 3.4714599 - 222000 3.7768724 1000 0.85440461 3.4871678 - 223000 3.9287963 1000 0.8604449 3.5028758 - 224000 4.082505 1000 0.84537374 3.5185838 - 225000 4.234731 1000 0.84526488 3.5342917 - 226000 4.3872988 1000 0.85877362 3.5499997 - 227000 4.5396216 1000 0.86762074 3.5657077 - 228000 4.7092509 1000 0.86460359 3.5814156 - 229000 4.8631954 1000 0.85409682 3.5971236 - 230000 5.0194352 1000 0.83902718 3.6128316 - 231000 5.1765387 1000 0.83908755 3.6285395 - 232000 5.3335299 1000 0.83178808 3.6442475 - 233000 5.4917257 1000 0.83369584 3.6599554 - 234000 5.654233 1000 0.8530074 3.6756634 - 235000 5.8163757 1000 0.86385009 3.6913714 - 236000 5.9791231 1000 0.86453337 3.7070793 - 237000 6.1401029 1000 0.86137572 3.7227873 - 238000 6.300632 1000 0.8656285 3.7384953 - 239000 6.4597898 1000 0.85993724 3.7542032 - 240000 6.6216707 1000 0.8484153 3.7699112 - 241000 6.7793672 1000 0.84624799 3.7856191 - 242000 6.939244 1000 0.83739227 3.8013271 - 243000 7.1013088 1000 0.83026469 3.8170351 - 244000 7.267416 1000 0.81060567 3.832743 - 245000 7.4318523 1000 0.81081038 3.848451 - 246000 7.6077905 1000 0.80857771 3.864159 - 247000 7.7763391 1000 0.80353315 3.8798669 - 248000 7.9485247 1000 0.80191903 3.8955749 - 249000 8.1208956 1000 0.79865102 3.9112829 - 250000 8.2921841 1000 0.79407385 3.9269908 - 251000 8.4614651 1000 0.7880275 3.9426988 - 252000 8.6266186 1000 0.79212521 3.9584067 - 253000 8.7913449 1000 0.78976714 3.9741147 - 254000 8.9596558 1000 0.79720779 3.9898227 - 255000 9.1278918 1000 0.79329363 4.0055306 - 256000 9.3016815 1000 0.80851295 4.0212386 - 257000 9.4701304 1000 0.82322071 4.0369466 - 258000 9.6399531 1000 0.83042211 4.0526545 - 259000 9.8090186 1000 0.82773068 4.0683625 - 260000 9.9798045 1000 0.8246773 4.0840704 - 261000 10.148952 1000 0.81374287 4.0997784 - 262000 10.318855 1000 0.79936963 4.1154864 - 263000 10.496092 1000 0.78124408 4.1311943 - 264000 10.671031 1000 0.77790646 4.1469023 - 265000 10.843052 1000 0.77212005 4.1626103 - 266000 11.01867 1000 0.77977752 4.1783182 - 267000 11.192151 1000 0.79237542 4.1940262 - 268000 11.362491 1000 0.80631398 4.2097342 - 269000 11.53223 1000 0.82380407 4.2254421 - 270000 11.7123 1000 0.82477127 4.2411501 - 271000 11.883593 1000 0.81655074 4.256858 - 272000 12.052348 1000 0.80678676 4.272566 - 273000 12.220196 1000 0.79162789 4.288274 - 274000 12.395164 1000 0.78896081 4.3039819 - 275000 12.569757 1000 0.77904648 4.3196899 - 276000 12.748754 1000 0.78252999 4.3353979 - 277000 12.91648 1000 0.78293295 4.3511058 - 278000 13.086087 1000 0.78311337 4.3668138 - 279000 13.260159 1000 0.77657634 4.3825218 - 280000 13.428503 1000 0.76835711 4.3982297 - 281000 13.596094 1000 0.75586438 4.4139377 - 282000 13.763325 1000 0.74600306 4.4296456 - 283000 13.932867 1000 0.73228762 4.4453536 - 284000 14.098865 1000 0.72344939 4.4610616 - 285000 14.269317 1000 0.72160289 4.4767695 - 286000 14.441196 1000 0.71321619 4.4924775 - 287000 14.614458 1000 0.72631772 4.5081855 - 288000 14.783358 1000 0.74390396 4.5238934 - 289000 14.953564 1000 0.77320352 4.5396014 - 290000 15.12428 1000 0.77249469 4.5553093 - 291000 15.283974 1000 0.7583723 4.5710173 - 292000 15.449553 1000 0.74568347 4.5867253 - 293000 15.611965 1000 0.74108034 4.6024332 - 294000 15.770807 1000 0.72706174 4.6181412 - 295000 15.927151 1000 0.71122597 4.6338492 - 296000 16.086734 1000 0.70272297 4.6495571 - 297000 16.245418 1000 0.6945394 4.6652651 - 298000 16.406617 1000 0.69541258 4.6809731 - 299000 16.568989 1000 0.71696092 4.696681 - 300000 16.754911 1000 0.72939561 4.712389 - 301000 16.919453 1000 0.73621801 4.7280969 - 302000 17.07794 1000 0.72052605 4.7438049 - 303000 17.234397 1000 0.71057318 4.7595129 - 304000 17.39014 1000 0.70014814 4.7752208 - 305000 17.550789 1000 0.68855925 4.7909288 - 306000 17.718802 1000 0.68665019 4.8066368 - 307000 17.874036 1000 0.6831349 4.8223447 - 308000 18.029367 1000 0.67929468 4.8380527 - 309000 18.188065 1000 0.67833006 4.8537606 - 310000 18.348243 1000 0.67764037 4.8694686 - 311000 18.512475 1000 0.68271978 4.8851766 - 312000 18.676519 1000 0.69021026 4.9008845 - 313000 18.836426 1000 0.68795473 4.9165925 - 314000 18.997681 1000 0.68308892 4.9323005 - 315000 19.158794 1000 0.68086977 4.9480084 - 316000 19.318186 1000 0.67879169 4.9637164 - 317000 19.479364 1000 0.68128526 4.9794244 - 318000 19.645085 1000 0.68718719 4.9951323 - 319000 19.806831 1000 0.68419901 5.0108403 - 320000 19.97005 1000 0.68045269 5.0265482 - 321000 20.130643 1000 0.68430036 5.0422562 - 322000 20.291637 1000 0.68195368 5.0579642 - 323000 20.457605 1000 0.67964011 5.0736721 - 324000 20.621699 1000 0.67681293 5.0893801 - 325000 20.78525 1000 0.67601868 5.1050881 - 326000 20.950321 1000 0.67600265 5.120796 - 327000 21.11346 1000 0.68484094 5.136504 - 328000 21.276964 1000 0.68526189 5.152212 - 329000 21.440971 1000 0.67602072 5.1679199 - 330000 21.609791 1000 0.68222852 5.1836279 - 331000 21.773574 1000 0.68825647 5.1993358 - 332000 21.93854 1000 0.68168415 5.2150438 - 333000 22.102281 1000 0.67460357 5.2307518 - 334000 22.265741 1000 0.67747925 5.2464597 - 335000 22.436954 1000 0.681763 5.2621677 - 336000 22.614367 1000 0.67611867 5.2778757 - 337000 22.779064 1000 0.66903217 5.2935836 - 338000 22.945739 1000 0.6684293 5.3092916 - 339000 23.111375 1000 0.66465194 5.3249995 - 340000 23.278674 1000 0.66226848 5.3407075 - 341000 23.444642 1000 0.66407188 5.3564155 - 342000 23.614615 1000 0.65762812 5.3721234 - 343000 23.785007 1000 0.66936507 5.3878314 - 344000 23.956265 1000 0.67424224 5.4035394 - 345000 24.129057 1000 0.684271 5.4192473 - 346000 24.303073 1000 0.68294352 5.4349553 - 347000 24.475812 1000 0.69795697 5.4506633 - 348000 24.652771 1000 0.69818863 5.4663712 - 349000 24.830973 1000 0.69578798 5.4820792 - 350000 25.00923 1000 0.69377251 5.4977871 - 351000 25.185421 1000 0.69638202 5.5134951 - 352000 25.363647 1000 0.70115823 5.5292031 - 353000 25.540517 1000 0.70891635 5.544911 - 354000 25.718709 1000 0.70876639 5.560619 - 355000 25.893633 1000 0.71130235 5.576327 - 356000 26.068423 1000 0.69380913 5.5920349 - 357000 26.243801 1000 0.67934899 5.6077429 - 358000 26.418883 1000 0.67024516 5.6234508 - 359000 26.594722 1000 0.66145645 5.6391588 - 360000 26.770322 1000 0.65335546 5.6548668 - 361000 26.946396 1000 0.65495192 5.6705747 - 362000 27.12296 1000 0.64973833 5.6862827 - 363000 27.298461 1000 0.64532381 5.7019907 - 364000 27.473586 1000 0.64282855 5.7176986 - 365000 27.653872 1000 0.64451862 5.7334066 - 366000 27.830317 1000 0.64366439 5.7491146 - 367000 28.007037 1000 0.64395479 5.7648225 - 368000 28.184079 1000 0.65827587 5.7805305 - 369000 28.376009 1000 0.66311341 5.7962384 - 370000 28.557287 1000 0.66165026 5.8119464 - 371000 28.736569 1000 0.66878374 5.8276544 - 372000 28.91063 1000 0.66944548 5.8433623 - 373000 29.084648 1000 0.66061945 5.8590703 - 374000 29.258649 1000 0.65320954 5.8747783 - 375000 29.433156 1000 0.64641195 5.8904862 - 376000 29.611781 1000 0.64631388 5.9061942 - 377000 29.78531 1000 0.64232398 5.9219022 - 378000 29.955917 1000 0.63805257 5.9376101 - 379000 30.126378 1000 0.63666047 5.9533181 - 380000 30.297285 1000 0.63651856 5.969026 - 381000 30.471635 1000 0.6377374 5.984734 - 382000 30.644813 1000 0.64750107 6.000442 - 383000 30.816208 1000 0.65655138 6.0161499 - 384000 30.986444 1000 0.65408935 6.0318579 - 385000 31.156501 1000 0.64437236 6.0475659 - 386000 31.327665 1000 0.63862174 6.0632738 - 387000 31.49731 1000 0.64133807 6.0789818 - 388000 31.682031 1000 0.64174374 6.0946897 - 389000 31.85148 1000 0.64480071 6.1103977 - 390000 32.020336 1000 0.64982943 6.1261057 - 391000 32.187634 1000 0.6461109 6.1418136 - 392000 32.357282 1000 0.64044412 6.1575216 - 393000 32.527796 1000 0.64662995 6.1732296 - 394000 32.704323 1000 0.65330527 6.1889375 - 395000 32.880643 1000 0.66026265 6.2046455 - 396000 33.048614 1000 0.6718969 6.2203535 - 397000 33.222059 1000 0.66481385 6.2360614 - 398000 33.391738 1000 0.66685494 6.2517694 - 399000 33.560431 1000 0.6612594 6.2674773 - 400000 33.729715 1000 0.65289572 6.2831853 -Loop time of 33.7298 on 4 procs for 200000 steps with 1000 atoms - -Performance: 24207.249 tau/day, 5929.470 timesteps/s -97.9% CPU use with 4 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 1.6748 | 2.6848 | 3.6646 | 58.4 | 7.96 -Neigh | 0.021206 | 0.026438 | 0.03191 | 3.1 | 0.08 -Comm | 6.133 | 7.3745 | 8.6652 | 45.0 | 21.86 -Output | 0.0053763 | 0.016101 | 0.044719 | 13.0 | 0.05 -Modify | 18.26 | 20.115 | 22.413 | 39.2 | 59.64 -Other | | 3.513 | | | 10.42 - -Nlocal: 250 ave 266 max 230 min -Histogram: 1 0 0 0 0 1 1 0 0 1 -Nghost: 401.5 ave 476 max 325 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Neighs: 1264 ave 1634 max 895 min -Histogram: 1 0 1 0 0 0 0 1 0 1 - -Total # of neighbors = 5056 -Ave neighs/atom = 5.056 -Neighbor list builds = 160 -Dangerous builds = 0 -Total wall time: 0:00:54 diff --git a/examples/granular/in.pour.heat b/examples/granular/in.pour.heat index 495a80454a..69590389b5 100644 --- a/examples/granular/in.pour.heat +++ b/examples/granular/in.pour.heat @@ -51,7 +51,7 @@ region insreg cylinder z ${xc} ${yc} ${cyl_rad_inner} ${drum_height} ${ fix 0 all balance 100 1.0 shift xy 5 1.1 fix 1 all nve/sphere -fix 2 all temp/integrate constant 1.0 +fix 2 all heat/flow/sphere/temp constant 1.0 fix grav all gravity 10 vector 0 0 -1 fix ins1 all pour 1000 1 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens} fix ins2 all pour 1000 2 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens} diff --git a/examples/granular/log.15Sep22.pour.drum.g++.1 b/examples/granular/log.15Sep22.pour.drum.g++.1 new file mode 100644 index 0000000000..75cc115dd1 --- /dev/null +++ b/examples/granular/log.15Sep22.pour.drum.g++.1 @@ -0,0 +1,272 @@ +LAMMPS (15 Sep 2022) +# pour two types of particles (cohesive and non-cohesive) into cylinder +# 'turn' cylinder by changing direction of gravity, then rotate it. +# This simulates a rotating drum powder characterization experiment. + +variable name string rotating_drum_two_types + +atom_style sphere +units lj + +############################################### +# Geometry-related parameters +############################################### + +variable boxx equal 30 +variable boxy equal 30 +variable boxz equal 50 + +variable drum_rad equal ${boxx}*0.5 +variable drum_rad equal 30*0.5 +variable drum_height equal 20 + +variable xc equal 0.5*${boxx} +variable xc equal 0.5*30 +variable yc equal 0.5*${boxx} +variable yc equal 0.5*30 +variable zc equal 0.5*${boxz} +variable zc equal 0.5*50 + +############################################### +# Particle-related parameters +############################################### +variable rlo equal 0.25 +variable rhi equal 0.5 +variable dlo equal 2.0*${rlo} +variable dlo equal 2.0*0.25 +variable dhi equal 2.0*${rhi} +variable dhi equal 2.0*0.5 + +variable cyl_rad_inner equal ${drum_rad}-1.1*${rhi} +variable cyl_rad_inner equal 15-1.1*${rhi} +variable cyl_rad_inner equal 15-1.1*0.5 + +variable dens equal 1.0 + +variable skin equal 0.4*${rhi} +variable skin equal 0.4*0.5 + +############# +processors * * 1 +region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz} +region boxreg block 0 30 0 ${boxy} 0 ${boxz} +region boxreg block 0 30 0 30 0 ${boxz} +region boxreg block 0 30 0 30 0 50 +create_box 2 boxreg +Created orthogonal box = (0 0 0) to (30 30 50) + 1 by 1 by 1 MPI processor grid +change_box all boundary p p f +Changing box ... + +pair_style granular +pair_coeff 1 * hertz/material 1e5 0.2 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji +pair_coeff 2 2 jkr 1e5 0.1 0.3 50 tangential mindlin NULL 1.0 0.5 rolling sds 1e3 1e3 0.1 twisting marshall + +variable theta equal 0 + +region curved_wall cylinder z ${xc} ${yc} ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region curved_wall cylinder z 15 ${yc} ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region curved_wall cylinder z 15 15 ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region curved_wall cylinder z 15 15 15 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta 15 ${yc} 0 0 0 1 +region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta 15 15 0 0 0 1 +region bottom_wall plane ${xc} ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region bottom_wall plane 15 ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta 15 ${yc} 0 0 0 1 +region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta 15 15 0 0 0 1 + +region insreg cylinder z ${xc} ${yc} ${cyl_rad_inner} ${drum_height} ${boxz} +region insreg cylinder z 15 ${yc} ${cyl_rad_inner} ${drum_height} ${boxz} +region insreg cylinder z 15 15 ${cyl_rad_inner} ${drum_height} ${boxz} +region insreg cylinder z 15 15 14.45 ${drum_height} ${boxz} +region insreg cylinder z 15 15 14.45 20 ${boxz} +region insreg cylinder z 15 15 14.45 20 50 + +fix 0 all balance 100 1.0 shift xy 5 1.1 +fix 1 all nve/sphere +fix grav all gravity 10 vector 0 0 -1 +fix ins1 all pour 2000 1 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens} +fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens} +fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens ${dens} ${dens} +fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 ${dens} +fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 1 +Particle insertion: 9396 every 490 steps, 2000 by step 1 +fix ins2 all pour 2000 2 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens} +fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens} +fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens ${dens} ${dens} +fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 ${dens} +fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 1 +Particle insertion: 9396 every 490 steps, 2000 by step 1 + +comm_modify vel yes + +neighbor ${skin} bin +neighbor 0.2 bin +neigh_modify delay 0 every 1 check yes + +fix 3 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall +fix 4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region bottom_wall + +thermo_style custom step atoms ke v_theta +thermo_modify lost warn +thermo 100 + +timestep 0.001 + +#dump 1 all custom 100 ${name}.dump id type radius mass x y z + +#For removal later +compute 1 all property/atom radius +variable zmax atom z+c_1>0.5*${drum_height} +variable zmax atom z+c_1>0.5*20 +group delgroup dynamic all var zmax every 10000 +dynamic group delgroup defined + +run 2000 +Generated 0 of 1 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 = 1.2 + ghost atom cutoff = 1.2 + binsize = 0.6, bins = 50 50 84 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair granular, perpetual + attributes: half, newton on, size, history + pair build: half/size/bin/newton + stencil: half/bin/3d + bin: standard +Per MPI rank memory allocation (min/avg/max) = 16.08 | 16.08 | 16.08 Mbytes + Step Atoms KinEng v_theta + 0 0 -0 0 + 100 4000 -0 0 + 200 4000 -0 0 + 300 4000 -0 0 + 400 4000 -0 0 + 500 4000 -0 0 + 600 4000 -0 0 + 700 4000 -0 0 + 800 4000 -0 0 + 900 4000 -0 0 + 1000 4000 -0 0 + 1100 4000 -0 0 + 1200 4000 -0 0 + 1300 4000 -0 0 + 1400 4000 -0 0 + 1500 4000 -0 0 + 1600 4000 -0 0 + 1700 4000 -0 0 + 1800 4000 -0 0 + 1900 4000 -0 0 + 2000 4000 -0 0 +Loop time of 2.81549 on 1 procs for 2000 steps with 4000 atoms + +Performance: 61374.657 tau/day, 710.355 timesteps/s, 2.841 Matom-step/s +98.4% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.35362 | 0.35362 | 0.35362 | 0.0 | 12.56 +Neigh | 1.0852 | 1.0852 | 1.0852 | 0.0 | 38.54 +Comm | 0.041891 | 0.041891 | 0.041891 | 0.0 | 1.49 +Output | 0.00059151 | 0.00059151 | 0.00059151 | 0.0 | 0.02 +Modify | 1.2814 | 1.2814 | 1.2814 | 0.0 | 45.51 +Other | | 0.0528 | | | 1.88 + +Nlocal: 4000 ave 4000 max 4000 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 179 ave 179 max 179 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 7019 ave 7019 max 7019 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 7019 +Ave neighs/atom = 1.75475 +Neighbor list builds = 1000 +Dangerous builds = 0 + +#Remove any particles that are above z > 0.5*drum_height +delete_atoms group delgroup +Deleted 0 atoms, new total = 4000 + +#Add top lid +region top_wall plane ${xc} ${yc} ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region top_wall plane 15 ${yc} ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region top_wall plane 15 15 ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta 15 ${yc} 0 0 0 1 +region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta 15 15 0 0 0 1 +fix 5 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region top_wall + +# 'Turn' drum by switching the direction of gravity +unfix grav +unfix ins1 +unfix ins2 +fix grav all gravity 10 vector 0 -1 0 + +variable theta equal 2*PI*elapsed/20000.0 +run 3000 +Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 22.42 | 22.42 | 22.42 Mbytes + Step Atoms KinEng v_theta + 2000 4000 59.969827 0 + 2100 4000 47.251389 0.031415927 + 2200 4000 33.726755 0.062831853 + 2300 4000 24.212479 0.09424778 + 2400 4000 17.366268 0.12566371 + 2500 4000 18.502318 0.15707963 + 2600 4000 17.44981 0.18849556 + 2700 4000 16.068315 0.21991149 + 2800 4000 14.252644 0.25132741 + 2900 4000 11.544019 0.28274334 + 3000 4000 9.0353662 0.31415927 + 3100 4000 6.9955912 0.34557519 + 3200 4000 5.955137 0.37699112 + 3300 4000 5.8947849 0.40840704 + 3400 4000 6.0544729 0.43982297 + 3500 4000 6.5326359 0.4712389 + 3600 4000 6.6047764 0.50265482 + 3700 4000 6.7073614 0.53407075 + 3800 4000 6.7367804 0.56548668 + 3900 4000 6.6178006 0.5969026 + 4000 4000 6.3834858 0.62831853 + 4100 4000 5.8660652 0.65973446 + 4200 4000 5.308513 0.69115038 + 4300 4000 4.7270842 0.72256631 + 4400 4000 4.1920733 0.75398224 + 4500 4000 3.7068814 0.78539816 + 4600 4000 3.3259615 0.81681409 + 4700 4000 2.9339231 0.84823002 + 4800 4000 2.670752 0.87964594 + 4900 4000 2.4509115 0.91106187 + 5000 4000 2.2609335 0.9424778 +Loop time of 9.82178 on 1 procs for 3000 steps with 4000 atoms + +Performance: 26390.330 tau/day, 305.444 timesteps/s, 1.222 Matom-step/s +99.4% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 3.2932 | 3.2932 | 3.2932 | 0.0 | 33.53 +Neigh | 2.2872 | 2.2872 | 2.2872 | 0.0 | 23.29 +Comm | 0.067117 | 0.067117 | 0.067117 | 0.0 | 0.68 +Output | 0.00093425 | 0.00093425 | 0.00093425 | 0.0 | 0.01 +Modify | 4.0986 | 4.0986 | 4.0986 | 0.0 | 41.73 +Other | | 0.07476 | | | 0.76 + +Nlocal: 4000 ave 4000 max 4000 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 363 ave 363 max 363 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 13089 ave 13089 max 13089 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 13089 +Ave neighs/atom = 3.27225 +Neighbor list builds = 1247 +Dangerous builds = 130 +Total wall time: 0:00:12 diff --git a/examples/granular/log.15Sep22.pour.drum.g++.4 b/examples/granular/log.15Sep22.pour.drum.g++.4 new file mode 100644 index 0000000000..4ab6f92b8b --- /dev/null +++ b/examples/granular/log.15Sep22.pour.drum.g++.4 @@ -0,0 +1,272 @@ +LAMMPS (15 Sep 2022) +# pour two types of particles (cohesive and non-cohesive) into cylinder +# 'turn' cylinder by changing direction of gravity, then rotate it. +# This simulates a rotating drum powder characterization experiment. + +variable name string rotating_drum_two_types + +atom_style sphere +units lj + +############################################### +# Geometry-related parameters +############################################### + +variable boxx equal 30 +variable boxy equal 30 +variable boxz equal 50 + +variable drum_rad equal ${boxx}*0.5 +variable drum_rad equal 30*0.5 +variable drum_height equal 20 + +variable xc equal 0.5*${boxx} +variable xc equal 0.5*30 +variable yc equal 0.5*${boxx} +variable yc equal 0.5*30 +variable zc equal 0.5*${boxz} +variable zc equal 0.5*50 + +############################################### +# Particle-related parameters +############################################### +variable rlo equal 0.25 +variable rhi equal 0.5 +variable dlo equal 2.0*${rlo} +variable dlo equal 2.0*0.25 +variable dhi equal 2.0*${rhi} +variable dhi equal 2.0*0.5 + +variable cyl_rad_inner equal ${drum_rad}-1.1*${rhi} +variable cyl_rad_inner equal 15-1.1*${rhi} +variable cyl_rad_inner equal 15-1.1*0.5 + +variable dens equal 1.0 + +variable skin equal 0.4*${rhi} +variable skin equal 0.4*0.5 + +############# +processors * * 1 +region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz} +region boxreg block 0 30 0 ${boxy} 0 ${boxz} +region boxreg block 0 30 0 30 0 ${boxz} +region boxreg block 0 30 0 30 0 50 +create_box 2 boxreg +Created orthogonal box = (0 0 0) to (30 30 50) + 2 by 2 by 1 MPI processor grid +change_box all boundary p p f +Changing box ... + +pair_style granular +pair_coeff 1 * hertz/material 1e5 0.2 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji +pair_coeff 2 2 jkr 1e5 0.1 0.3 50 tangential mindlin NULL 1.0 0.5 rolling sds 1e3 1e3 0.1 twisting marshall + +variable theta equal 0 + +region curved_wall cylinder z ${xc} ${yc} ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region curved_wall cylinder z 15 ${yc} ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region curved_wall cylinder z 15 15 ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region curved_wall cylinder z 15 15 15 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta 15 ${yc} 0 0 0 1 +region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta 15 15 0 0 0 1 +region bottom_wall plane ${xc} ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region bottom_wall plane 15 ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta 15 ${yc} 0 0 0 1 +region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta 15 15 0 0 0 1 + +region insreg cylinder z ${xc} ${yc} ${cyl_rad_inner} ${drum_height} ${boxz} +region insreg cylinder z 15 ${yc} ${cyl_rad_inner} ${drum_height} ${boxz} +region insreg cylinder z 15 15 ${cyl_rad_inner} ${drum_height} ${boxz} +region insreg cylinder z 15 15 14.45 ${drum_height} ${boxz} +region insreg cylinder z 15 15 14.45 20 ${boxz} +region insreg cylinder z 15 15 14.45 20 50 + +fix 0 all balance 100 1.0 shift xy 5 1.1 +fix 1 all nve/sphere +fix grav all gravity 10 vector 0 0 -1 +fix ins1 all pour 2000 1 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens} +fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens} +fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens ${dens} ${dens} +fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 ${dens} +fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 1 +Particle insertion: 9396 every 490 steps, 2000 by step 1 +fix ins2 all pour 2000 2 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens} +fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens} +fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens ${dens} ${dens} +fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 ${dens} +fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 1 +Particle insertion: 9396 every 490 steps, 2000 by step 1 + +comm_modify vel yes + +neighbor ${skin} bin +neighbor 0.2 bin +neigh_modify delay 0 every 1 check yes + +fix 3 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall +fix 4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region bottom_wall + +thermo_style custom step atoms ke v_theta +thermo_modify lost warn +thermo 100 + +timestep 0.001 + +#dump 1 all custom 100 ${name}.dump id type radius mass x y z + +#For removal later +compute 1 all property/atom radius +variable zmax atom z+c_1>0.5*${drum_height} +variable zmax atom z+c_1>0.5*20 +group delgroup dynamic all var zmax every 10000 +dynamic group delgroup defined + +run 2000 +Generated 0 of 1 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 = 1.2 + ghost atom cutoff = 1.2 + binsize = 0.6, bins = 50 50 84 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair granular, perpetual + attributes: half, newton on, size, history + pair build: half/size/bin/newton + stencil: half/bin/3d + bin: standard +Per MPI rank memory allocation (min/avg/max) = 15.3 | 15.3 | 15.3 Mbytes + Step Atoms KinEng v_theta + 0 0 -0 0 + 100 4000 -0 0 + 200 4000 -0 0 + 300 4000 -0 0 + 400 4000 -0 0 + 500 4000 -0 0 + 600 4000 -0 0 + 700 4000 -0 0 + 800 4000 -0 0 + 900 4000 -0 0 + 1000 4000 -0 0 + 1100 4000 -0 0 + 1200 4000 -0 0 + 1300 4000 -0 0 + 1400 4000 -0 0 + 1500 4000 -0 0 + 1600 4000 -0 0 + 1700 4000 -0 0 + 1800 4000 -0 0 + 1900 4000 -0 0 + 2000 4000 -0 0 +Loop time of 0.744926 on 4 procs for 2000 steps with 4000 atoms + +Performance: 231969.322 tau/day, 2684.830 timesteps/s, 10.739 Matom-step/s +98.1% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.064917 | 0.069813 | 0.074844 | 1.7 | 9.37 +Neigh | 0.15075 | 0.15915 | 0.1692 | 1.9 | 21.36 +Comm | 0.11223 | 0.11821 | 0.12247 | 1.1 | 15.87 +Output | 0.00030739 | 0.00036898 | 0.00046777 | 0.0 | 0.05 +Modify | 0.36068 | 0.36657 | 0.37031 | 0.7 | 49.21 +Other | | 0.03082 | | | 4.14 + +Nlocal: 1000 ave 1010 max 990 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Nghost: 285 ave 287 max 283 min +Histogram: 1 0 1 0 0 0 0 1 0 1 +Neighs: 1714.25 ave 1764 max 1651 min +Histogram: 1 0 1 0 0 0 0 0 0 2 + +Total # of neighbors = 6857 +Ave neighs/atom = 1.71425 +Neighbor list builds = 1000 +Dangerous builds = 0 + +#Remove any particles that are above z > 0.5*drum_height +delete_atoms group delgroup +Deleted 0 atoms, new total = 4000 + +#Add top lid +region top_wall plane ${xc} ${yc} ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region top_wall plane 15 ${yc} ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region top_wall plane 15 15 ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 +region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta 15 ${yc} 0 0 0 1 +region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta 15 15 0 0 0 1 +fix 5 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region top_wall + +# 'Turn' drum by switching the direction of gravity +unfix grav +unfix ins1 +unfix ins2 +fix grav all gravity 10 vector 0 -1 0 + +variable theta equal 2*PI*elapsed/20000.0 +run 3000 +Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +Per MPI rank memory allocation (min/avg/max) = 21.6 | 21.6 | 21.6 Mbytes + Step Atoms KinEng v_theta + 2000 4000 60.10546 0 + 2100 4000 47.274123 0.031415927 + 2200 4000 33.475582 0.062831853 + 2300 4000 24.083669 0.09424778 + 2400 4000 17.36351 0.12566371 + 2500 4000 18.576501 0.15707963 + 2600 4000 17.39 0.18849556 + 2700 4000 15.789254 0.21991149 + 2800 4000 14.08156 0.25132741 + 2900 4000 11.636681 0.28274334 + 3000 4000 8.9897685 0.31415927 + 3100 4000 7.0703519 0.34557519 + 3200 4000 6.0741809 0.37699112 + 3300 4000 5.8286097 0.40840704 + 3400 4000 6.059001 0.43982297 + 3500 4000 6.4310861 0.4712389 + 3600 4000 6.3957528 0.50265482 + 3700 4000 6.4858292 0.53407075 + 3800 4000 6.4685962 0.56548668 + 3900 4000 6.3469676 0.5969026 + 4000 4000 6.2808022 0.62831853 + 4100 4000 5.957048 0.65973446 + 4200 4000 5.5378951 0.69115038 + 4300 4000 4.8523264 0.72256631 + 4400 4000 4.2485239 0.75398224 + 4500 4000 3.7587486 0.78539816 + 4600 4000 3.327008 0.81681409 + 4700 4000 2.9421013 0.84823002 + 4800 4000 2.75247 0.87964594 + 4900 4000 2.5306332 0.91106187 + 5000 4000 2.352504 0.9424778 +Loop time of 2.48704 on 4 procs for 3000 steps with 4000 atoms + +Performance: 104220.238 tau/day, 1206.253 timesteps/s, 4.825 Matom-step/s +98.6% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.51605 | 0.70407 | 0.86299 | 14.7 | 28.31 +Neigh | 0.3522 | 0.42808 | 0.50041 | 8.0 | 17.21 +Comm | 0.17318 | 0.42324 | 0.7046 | 29.0 | 17.02 +Output | 0.00079725 | 0.0013956 | 0.002092 | 1.3 | 0.06 +Modify | 0.68507 | 0.79676 | 0.90954 | 8.9 | 32.04 +Other | | 0.1335 | | | 5.37 + +Nlocal: 1000 ave 1330 max 670 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Nghost: 525.5 ave 781 max 417 min +Histogram: 2 1 0 0 0 0 0 0 0 1 +Neighs: 3243.75 ave 4460 max 2012 min +Histogram: 1 1 0 0 0 0 0 0 1 1 + +Total # of neighbors = 12975 +Ave neighs/atom = 3.24375 +Neighbor list builds = 1299 +Dangerous builds = 129 +Total wall time: 0:00:03 diff --git a/examples/granular/log.15Sep22.pour.flatwall.g++.1 b/examples/granular/log.15Sep22.pour.flatwall.g++.1 new file mode 100644 index 0000000000..f863993b46 --- /dev/null +++ b/examples/granular/log.15Sep22.pour.flatwall.g++.1 @@ -0,0 +1,195 @@ +LAMMPS (15 Sep 2022) +# pour two types of particles (cohesive and non-cohesive) on flat wall + +variable name string pour_two_types + +atom_style sphere +units lj + +############################################### +# Geometry-related parameters +############################################### + +variable boxx equal 20 +variable boxy equal 20 +variable boxz equal 30 + +variable xc1 equal 0.3*${boxx} +variable xc1 equal 0.3*20 +variable xc2 equal 0.7*${boxx} +variable xc2 equal 0.7*20 +variable yc equal 0.5*${boxy} +variable yc equal 0.5*20 + +############################################### +# Particle-related parameters +############################################### +variable rlo equal 0.25 +variable rhi equal 0.5 +variable dlo equal 2.0*${rlo} +variable dlo equal 2.0*0.25 +variable dhi equal 2.0*${rhi} +variable dhi equal 2.0*0.5 + +variable dens equal 1.0 + +variable skin equal 0.3*${rhi} +variable skin equal 0.3*0.5 + +############# +processors * * 1 +region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz} +region boxreg block 0 20 0 ${boxy} 0 ${boxz} +region boxreg block 0 20 0 20 0 ${boxz} +region boxreg block 0 20 0 20 0 30 +create_box 2 boxreg +Created orthogonal box = (0 0 0) to (20 20 30) + 1 by 1 by 1 MPI processor grid +change_box all boundary p p f +Changing box ... + +pair_style granular +pair_coeff 1 * jkr 1000.0 50.0 0.3 10 tangential mindlin 800.0 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall +pair_coeff 2 2 hertz 200.0 20.0 tangential linear_history 300.0 1.0 0.1 rolling sds 200.0 100.0 0.1 twisting marshall + +comm_modify vel yes + +region insreg1 cylinder z ${xc1} ${yc} 5 15 ${boxz} +region insreg1 cylinder z 6 ${yc} 5 15 ${boxz} +region insreg1 cylinder z 6 10 5 15 ${boxz} +region insreg1 cylinder z 6 10 5 15 30 +region insreg2 cylinder z ${xc2} ${yc} 5 15 ${boxz} +region insreg2 cylinder z 14 ${yc} 5 15 ${boxz} +region insreg2 cylinder z 14 10 5 15 ${boxz} +region insreg2 cylinder z 14 10 5 15 30 + +fix 1 all nve/sphere +fix grav all gravity 10.0 vector 0 0 -1 +fix ins1 all pour 1500 1 3123 region insreg1 diam range ${dlo} ${dhi} dens ${dens} ${dens} +fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 ${dhi} dens ${dens} ${dens} +fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens ${dens} ${dens} +fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 ${dens} +fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 1 +Particle insertion: 562 every 346 steps, 1500 by step 693 +fix ins2 all pour 1500 2 3123 region insreg2 diam range ${dlo} ${dhi} dens ${dens} ${dens} +fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 ${dhi} dens ${dens} ${dens} +fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens ${dens} ${dens} +fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 ${dens} +fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 1 +Particle insertion: 562 every 346 steps, 1500 by step 693 + +neighbor ${skin} bin +neighbor 0.15 bin +neigh_modify delay 0 every 1 check yes + +fix 3 all wall/gran granular hertz/material 1e5 1e3 0.3 tangential mindlin NULL 1.0 0.5 zplane 0 NULL + +thermo_style custom step atoms ke +thermo_modify lost warn +thermo 100 + +timestep 0.001 + +#dump 1 all custom 100 ${name}.dump id type radius mass x y z + +run 5000 +Generated 0 of 1 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 = 1.15 + ghost atom cutoff = 1.15 + binsize = 0.575, bins = 35 35 53 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair granular, perpetual + attributes: half, newton on, size, history + pair build: half/size/bin/newton + stencil: half/bin/3d + bin: standard +Per MPI rank memory allocation (min/avg/max) = 15.27 | 15.27 | 15.27 Mbytes + Step Atoms KinEng + 0 0 -0 +WARNING: Less insertions than requested (../fix_pour.cpp:681) +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 100 926 -0 + 200 926 -0 + 300 926 -0 +WARNING: Less insertions than requested (../fix_pour.cpp:681) +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 400 1498 -0 + 500 1498 -0 + 600 1498 -0 +WARNING: Less insertions than requested (../fix_pour.cpp:681) +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 700 2275 -0 + 800 2275 -0 + 900 2275 -0 + 1000 2275 -0 +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 1100 2954 -0 + 1200 2954 -0 + 1300 2954 -0 + 1400 3000 -0 + 1500 3000 -0 + 1600 3000 -0 + 1700 3000 -0 + 1800 3000 -0 + 1900 3000 -0 + 2000 3000 -0 + 2100 3000 -0 + 2200 3000 -0 + 2300 3000 -0 + 2400 3000 -0 + 2500 3000 -0 + 2600 3000 -0 + 2700 3000 -0 + 2800 3000 -0 + 2900 3000 -0 + 3000 3000 -0 + 3100 3000 -0 + 3200 3000 -0 + 3300 3000 -0 + 3400 3000 -0 + 3500 3000 -0 + 3600 3000 -0 + 3700 3000 -0 + 3800 3000 -0 + 3900 3000 -0 + 4000 3000 -0 + 4100 3000 -0 + 4200 3000 -0 + 4300 3000 -0 + 4400 3000 -0 + 4500 3000 -0 + 4600 3000 -0 + 4700 3000 -0 + 4800 3000 -0 + 4900 3000 -0 + 5000 3000 -0 +Loop time of 10.7721 on 1 procs for 5000 steps with 3000 atoms + +Performance: 40103.467 tau/day, 464.160 timesteps/s, 1.392 Matom-step/s +99.5% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 8.1117 | 8.1117 | 8.1117 | 0.0 | 75.30 +Neigh | 1.2885 | 1.2885 | 1.2885 | 0.0 | 11.96 +Comm | 0.059888 | 0.059888 | 0.059888 | 0.0 | 0.56 +Output | 0.0011158 | 0.0011158 | 0.0011158 | 0.0 | 0.01 +Modify | 1.2436 | 1.2436 | 1.2436 | 0.0 | 11.54 +Other | | 0.06727 | | | 0.62 + +Nlocal: 3000 ave 3000 max 3000 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 471 ave 471 max 471 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 16713 ave 16713 max 16713 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 16713 +Ave neighs/atom = 5.571 +Neighbor list builds = 1102 +Dangerous builds = 0 +Total wall time: 0:00:10 diff --git a/examples/granular/log.15Sep22.pour.flatwall.g++.4 b/examples/granular/log.15Sep22.pour.flatwall.g++.4 new file mode 100644 index 0000000000..5fb99ea042 --- /dev/null +++ b/examples/granular/log.15Sep22.pour.flatwall.g++.4 @@ -0,0 +1,195 @@ +LAMMPS (15 Sep 2022) +# pour two types of particles (cohesive and non-cohesive) on flat wall + +variable name string pour_two_types + +atom_style sphere +units lj + +############################################### +# Geometry-related parameters +############################################### + +variable boxx equal 20 +variable boxy equal 20 +variable boxz equal 30 + +variable xc1 equal 0.3*${boxx} +variable xc1 equal 0.3*20 +variable xc2 equal 0.7*${boxx} +variable xc2 equal 0.7*20 +variable yc equal 0.5*${boxy} +variable yc equal 0.5*20 + +############################################### +# Particle-related parameters +############################################### +variable rlo equal 0.25 +variable rhi equal 0.5 +variable dlo equal 2.0*${rlo} +variable dlo equal 2.0*0.25 +variable dhi equal 2.0*${rhi} +variable dhi equal 2.0*0.5 + +variable dens equal 1.0 + +variable skin equal 0.3*${rhi} +variable skin equal 0.3*0.5 + +############# +processors * * 1 +region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz} +region boxreg block 0 20 0 ${boxy} 0 ${boxz} +region boxreg block 0 20 0 20 0 ${boxz} +region boxreg block 0 20 0 20 0 30 +create_box 2 boxreg +Created orthogonal box = (0 0 0) to (20 20 30) + 2 by 2 by 1 MPI processor grid +change_box all boundary p p f +Changing box ... + +pair_style granular +pair_coeff 1 * jkr 1000.0 50.0 0.3 10 tangential mindlin 800.0 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall +pair_coeff 2 2 hertz 200.0 20.0 tangential linear_history 300.0 1.0 0.1 rolling sds 200.0 100.0 0.1 twisting marshall + +comm_modify vel yes + +region insreg1 cylinder z ${xc1} ${yc} 5 15 ${boxz} +region insreg1 cylinder z 6 ${yc} 5 15 ${boxz} +region insreg1 cylinder z 6 10 5 15 ${boxz} +region insreg1 cylinder z 6 10 5 15 30 +region insreg2 cylinder z ${xc2} ${yc} 5 15 ${boxz} +region insreg2 cylinder z 14 ${yc} 5 15 ${boxz} +region insreg2 cylinder z 14 10 5 15 ${boxz} +region insreg2 cylinder z 14 10 5 15 30 + +fix 1 all nve/sphere +fix grav all gravity 10.0 vector 0 0 -1 +fix ins1 all pour 1500 1 3123 region insreg1 diam range ${dlo} ${dhi} dens ${dens} ${dens} +fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 ${dhi} dens ${dens} ${dens} +fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens ${dens} ${dens} +fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 ${dens} +fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 1 +Particle insertion: 562 every 346 steps, 1500 by step 693 +fix ins2 all pour 1500 2 3123 region insreg2 diam range ${dlo} ${dhi} dens ${dens} ${dens} +fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 ${dhi} dens ${dens} ${dens} +fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens ${dens} ${dens} +fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 ${dens} +fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 1 +Particle insertion: 562 every 346 steps, 1500 by step 693 + +neighbor ${skin} bin +neighbor 0.15 bin +neigh_modify delay 0 every 1 check yes + +fix 3 all wall/gran granular hertz/material 1e5 1e3 0.3 tangential mindlin NULL 1.0 0.5 zplane 0 NULL + +thermo_style custom step atoms ke +thermo_modify lost warn +thermo 100 + +timestep 0.001 + +#dump 1 all custom 100 ${name}.dump id type radius mass x y z + +run 5000 +Generated 0 of 1 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 = 1.15 + ghost atom cutoff = 1.15 + binsize = 0.575, bins = 35 35 53 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair granular, perpetual + attributes: half, newton on, size, history + pair build: half/size/bin/newton + stencil: half/bin/3d + bin: standard +Per MPI rank memory allocation (min/avg/max) = 15.04 | 15.04 | 15.04 Mbytes + Step Atoms KinEng + 0 0 -0 +WARNING: Less insertions than requested (../fix_pour.cpp:681) +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 100 926 -0 + 200 926 -0 + 300 926 -0 +WARNING: Less insertions than requested (../fix_pour.cpp:681) +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 400 1498 -0 + 500 1498 -0 + 600 1498 -0 +WARNING: Less insertions than requested (../fix_pour.cpp:681) +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 700 2275 -0 + 800 2275 -0 + 900 2275 -0 + 1000 2275 -0 +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 1100 2954 -0 + 1200 2954 -0 + 1300 2954 -0 + 1400 3000 -0 + 1500 3000 -0 + 1600 3000 -0 + 1700 3000 -0 + 1800 3000 -0 + 1900 3000 -0 + 2000 3000 -0 + 2100 3000 -0 + 2200 3000 -0 + 2300 3000 -0 + 2400 3000 -0 + 2500 3000 -0 + 2600 3000 -0 + 2700 3000 -0 + 2800 3000 -0 + 2900 3000 -0 + 3000 3000 -0 + 3100 3000 -0 + 3200 3000 -0 + 3300 3000 -0 + 3400 3000 -0 + 3500 3000 -0 + 3600 3000 -0 + 3700 3000 -0 + 3800 3000 -0 + 3900 3000 -0 + 4000 3000 -0 + 4100 3000 -0 + 4200 3000 -0 + 4300 3000 -0 + 4400 3000 -0 + 4500 3000 -0 + 4600 3000 -0 + 4700 3000 -0 + 4800 3000 -0 + 4900 3000 -0 + 5000 3000 -0 +Loop time of 4.06277 on 4 procs for 5000 steps with 3000 atoms + +Performance: 106331.276 tau/day, 1230.686 timesteps/s, 3.692 Matom-step/s +98.7% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0.85426 | 1.7801 | 2.7631 | 64.4 | 43.82 +Neigh | 0.18775 | 0.25657 | 0.3279 | 11.5 | 6.32 +Comm | 0.23605 | 1.3334 | 2.3703 | 81.6 | 32.82 +Output | 0.00059456 | 0.0008165 | 0.0012002 | 0.0 | 0.02 +Modify | 0.59336 | 0.64066 | 0.6864 | 4.3 | 15.77 +Other | | 0.05122 | | | 1.26 + +Nlocal: 750 ave 1032 max 463 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Nghost: 426.5 ave 482 max 375 min +Histogram: 1 1 0 0 0 0 0 1 0 1 +Neighs: 4164.25 ave 6310 max 1941 min +Histogram: 2 0 0 0 0 0 0 0 0 2 + +Total # of neighbors = 16657 +Ave neighs/atom = 5.5523333 +Neighbor list builds = 1114 +Dangerous builds = 0 +Total wall time: 0:00:04 diff --git a/examples/granular/log.15Sep22.pour.heat.g++.1 b/examples/granular/log.15Sep22.pour.heat.g++.1 new file mode 100644 index 0000000000..d232752c74 --- /dev/null +++ b/examples/granular/log.15Sep22.pour.heat.g++.1 @@ -0,0 +1,1172 @@ +LAMMPS (15 Sep 2022) +# pour one types of particles into cylinder and oscillate +# temperature of the bottom plate + +variable name string heat_plate + +atom_style sphere/temp +units lj + +############################################### +# Geometry-related parameters +############################################### + +variable boxx equal 10 +variable boxy equal 10 +variable boxz equal 50 + +variable drum_rad equal ${boxx}*0.5 +variable drum_rad equal 10*0.5 +variable drum_height equal 30 + +variable xc equal 0.5*${boxx} +variable xc equal 0.5*10 +variable yc equal 0.5*${boxx} +variable yc equal 0.5*10 +variable zc equal 0.5*${boxz} +variable zc equal 0.5*50 + +############################################### +# Particle-related parameters +############################################### +variable rlo equal 0.25 +variable rhi equal 0.5 +variable dlo equal 2.0*${rlo} +variable dlo equal 2.0*0.25 +variable dhi equal 2.0*${rhi} +variable dhi equal 2.0*0.5 + +variable cyl_rad_inner equal ${drum_rad}-1.1*${rhi} +variable cyl_rad_inner equal 5-1.1*${rhi} +variable cyl_rad_inner equal 5-1.1*0.5 + +variable dens equal 1.0 + +variable skin equal 0.4*${rhi} +variable skin equal 0.4*0.5 + +############# +processors * * 1 +region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz} +region boxreg block 0 10 0 ${boxy} 0 ${boxz} +region boxreg block 0 10 0 10 0 ${boxz} +region boxreg block 0 10 0 10 0 50 +create_box 2 boxreg +Created orthogonal box = (0 0 0) to (10 10 50) + 1 by 1 by 1 MPI processor grid +change_box all boundary p p f +Changing box ... + +pair_style granular +pair_coeff * * hertz/material 1e5 0.2 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji heat area 5.0 + +region curved_wall cylinder z ${xc} ${yc} ${drum_rad} 0 ${drum_height} side in +region curved_wall cylinder z 5 ${yc} ${drum_rad} 0 ${drum_height} side in +region curved_wall cylinder z 5 5 ${drum_rad} 0 ${drum_height} side in +region curved_wall cylinder z 5 5 5 0 ${drum_height} side in +region curved_wall cylinder z 5 5 5 0 30 side in +region bottom_wall plane ${xc} ${yc} 0 0 0 1 side in +region bottom_wall plane 5 ${yc} 0 0 0 1 side in +region bottom_wall plane 5 5 0 0 0 1 side in + +region insreg cylinder z ${xc} ${yc} ${cyl_rad_inner} ${drum_height} ${boxz} +region insreg cylinder z 5 ${yc} ${cyl_rad_inner} ${drum_height} ${boxz} +region insreg cylinder z 5 5 ${cyl_rad_inner} ${drum_height} ${boxz} +region insreg cylinder z 5 5 4.45 ${drum_height} ${boxz} +region insreg cylinder z 5 5 4.45 30 ${boxz} +region insreg cylinder z 5 5 4.45 30 50 + +fix 0 all balance 100 1.0 shift xy 5 1.1 +fix 1 all nve/sphere +fix 2 all heat/flow/sphere/temp constant 1.0 +fix grav all gravity 10 vector 0 0 -1 +fix ins1 all pour 1000 1 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens} +fix ins1 all pour 1000 1 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens} +fix ins1 all pour 1000 1 1234 region insreg diam range 0.5 1 dens ${dens} ${dens} +fix ins1 all pour 1000 1 1234 region insreg diam range 0.5 1 dens 1 ${dens} +fix ins1 all pour 1000 1 1234 region insreg diam range 0.5 1 dens 1 1 +Particle insertion: 594 every 400 steps, 1000 by step 401 +fix ins2 all pour 1000 2 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens} +fix ins2 all pour 1000 2 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens} +fix ins2 all pour 1000 2 1234 region insreg diam range 0.5 1 dens ${dens} ${dens} +fix ins2 all pour 1000 2 1234 region insreg diam range 0.5 1 dens 1 ${dens} +fix ins2 all pour 1000 2 1234 region insreg diam range 0.5 1 dens 1 1 +Particle insertion: 594 every 400 steps, 1000 by step 401 + +comm_modify vel yes + +neighbor ${skin} bin +neighbor 0.2 bin +neigh_modify delay 0 every 1 check yes + +variable oscillate equal 1.0*sin(step*0.0001) + +fix 3 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall +fix 4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji heat area 5.0 region bottom_wall temperature v_oscillate + +thermo_style custom step atoms ke pxx pyy pzz +thermo_modify lost warn +thermo 100 + +timestep 0.001 + +#dump 1 all custom 1000 ${name}.dump id type radius mass x y z temperature heatflow + +#For removal later +compute 1 all property/atom radius +variable zmax atom z+c_1>0.5*${drum_height} +variable zmax atom z+c_1>0.5*30 +group delgroup dynamic all var zmax every 10000 +dynamic group delgroup defined + +run 100000 +Generated 0 of 1 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 = 1.2 + ghost atom cutoff = 1.2 + binsize = 0.6, bins = 17 17 84 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair granular, perpetual + attributes: half, newton on, size, history + pair build: half/size/bin/newton + stencil: half/bin/3d + bin: standard +Per MPI rank memory allocation (min/avg/max) = 5.944 | 5.944 | 5.944 Mbytes + Step Atoms KinEng Pxx Pyy Pzz + 0 0 -0 0 0 0 +WARNING: Less insertions than requested (../fix_pour.cpp:681) +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 100 536 -0 0 0 7.4220499 + 200 536 -0 0 0 10.753096 + 300 536 -0 0 0 13.500241 + 400 536 -0 0 0 18.036636 +WARNING: Less insertions than requested (../fix_pour.cpp:681) +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 500 903 -0 0 0 25.955524 + 600 903 -0 0 0 32.116907 + 700 903 -0 0.03620165 0.033499977 32.179357 + 800 903 -0 0.2106713 0.26431108 36.206318 +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 900 1265 -0 0.2667335 0.20266671 44.177757 + 1000 1265 -0 0.51829264 0.67739216 49.904079 + 1100 1265 -0 0.87526847 0.66040207 53.13465 + 1200 1265 -0 0.7989492 0.81976513 54.277194 +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 1300 1618 -0 1.0736038 1.2317728 60.921948 + 1400 1618 -0 3.6835952 3.1929764 60.725834 + 1500 1618 -0 2.756994 2.611876 61.575807 + 1600 1618 -0 3.3981246 3.253067 61.920098 + 1700 2000 -0 3.8273855 3.6731016 68.643557 + 1800 2000 -0 4.7528855 4.4495018 69.914035 + 1900 2000 -0 5.1197897 5.3612522 76.341875 + 2000 2000 -0 7.4609619 7.3959134 76.619654 + 2100 2000 -0 6.8808532 7.6237902 73.684129 + 2200 2000 -0 10.034925 9.4881564 72.897703 + 2300 2000 -0 10.110575 10.379096 70.330499 + 2400 2000 -0 12.458237 12.285825 68.726515 + 2500 2000 -0 11.081771 11.120864 59.216898 + 2600 2000 -0 11.441977 11.532286 57.698842 + 2700 2000 -0 12.285359 11.905254 56.086117 + 2800 2000 -0 13.392058 13.168532 54.678918 + 2900 2000 -0 12.439277 12.212282 49.214122 + 3000 2000 -0 11.12664 11.09865 43.35763 + 3100 2000 -0 12.899283 12.735645 45.72121 + 3200 2000 -0 13.397802 12.892421 40.82795 + 3300 2000 -0 11.935141 11.858897 33.412627 + 3400 2000 -0 12.005889 11.539848 29.290034 + 3500 2000 -0 13.311405 13.11741 27.54997 + 3600 2000 -0 11.985219 11.954031 21.79518 + 3700 2000 -0 10.728636 9.800667 14.497682 + 3800 2000 -0 10.082744 9.6420894 12.241554 + 3900 2000 -0 9.6227604 9.1331298 10.31104 + 4000 2000 -0 8.9197423 8.5118438 7.6564098 + 4100 2000 -0 8.224539 7.765121 6.4246439 + 4200 2000 -0 7.8352874 7.3855212 5.9657978 + 4300 2000 -0 7.84891 7.3973377 6.2217099 + 4400 2000 -0 7.9743441 7.5242803 6.7082653 + 4500 2000 -0 7.9906412 7.5831386 6.7093176 + 4600 2000 -0 7.9382395 7.4929459 6.4150432 + 4700 2000 -0 7.9318996 7.4971722 6.4746841 + 4800 2000 -0 7.9685751 7.5471868 6.6574514 + 4900 2000 -0 7.9524289 7.516294 6.5660525 + 5000 2000 -0 7.9378811 7.5115542 6.5001617 + 5100 2000 -0 7.9266301 7.5073503 6.5253548 + 5200 2000 -0 7.9434374 7.5177496 6.5845847 + 5300 2000 -0 7.9305032 7.5191693 6.5372085 + 5400 2000 -0 7.9402877 7.5254309 6.5520449 + 5500 2000 -0 7.9427052 7.5280949 6.5557961 + 5600 2000 -0 7.9391493 7.5233972 6.5331874 + 5700 2000 -0 7.9399937 7.5202519 6.543535 + 5800 2000 -0 7.9398529 7.5228566 6.54443 + 5900 2000 -0 7.9410688 7.5260002 6.5435973 + 6000 2000 -0 7.941019 7.5216292 6.5431831 + 6100 2000 -0 7.9390808 7.5219254 6.5415317 + 6200 2000 -0 7.9481596 7.5395611 6.5622388 + 6300 2000 -0 7.9490652 7.5315638 6.5562056 + 6400 2000 -0 7.9427506 7.5243388 6.5431344 + 6500 2000 -0 7.9452629 7.5265503 6.5495796 + 6600 2000 -0 7.9458414 7.5249099 6.5533876 + 6700 2000 -0 7.94418 7.525769 6.5394106 + 6800 2000 -0 7.943729 7.5287032 6.5405826 + 6900 2000 -0 7.947609 7.5300725 6.5559575 + 7000 2000 -0 7.9443102 7.5257838 6.5463817 + 7100 2000 -0 7.9441301 7.5276861 6.5381619 + 7200 2000 -0 7.9454486 7.5282359 6.5456825 + 7300 2000 -0 7.945263 7.5286763 6.5512798 + 7400 2000 -0 7.9420874 7.527752 6.5445142 + 7500 2000 -0 7.9441062 7.5272938 6.5441649 + 7600 2000 -0 7.9457317 7.528108 6.5503985 + 7700 2000 -0 7.9440802 7.5278111 6.5470895 + 7800 2000 -0 7.9431937 7.5265385 6.541355 + 7900 2000 -0 7.9443162 7.5279484 6.5500105 + 8000 2000 -0 7.9494361 7.5285053 6.5534428 + 8100 2000 -0 7.946984 7.5263991 6.5455634 + 8200 2000 -0 7.9484464 7.5274982 6.5494966 + 8300 2000 -0 7.9481535 7.5274655 6.5501241 + 8400 2000 -0 7.9479539 7.5273074 6.5488317 + 8500 2000 -0 7.9485734 7.5277795 6.5512236 + 8600 2000 -0 7.9479221 7.528244 6.5500855 + 8700 2000 -0 7.9478183 7.5276603 6.5489063 + 8800 2000 -0 7.948203 7.5284835 6.5517141 + 8900 2000 -0 7.9485476 7.5282914 6.5523536 + 9000 2000 -0 7.9480852 7.527842 6.5485105 + 9100 2000 -0 7.9503303 7.5292996 6.5521516 + 9200 2000 -0 7.9484069 7.5284723 6.5532887 + 9300 2000 -0 7.9477781 7.5273643 6.5479285 + 9400 2000 -0 7.9480058 7.5281007 6.5494258 + 9500 2000 -0 7.9502363 7.5292831 6.5551525 + 9600 2000 -0 7.9491036 7.5284568 6.5495709 + 9700 2000 -0 7.9486046 7.5277883 6.5479749 + 9800 2000 -0 7.949523 7.5288246 6.5522055 + 9900 2000 -0 7.9494267 7.5284447 6.5514459 + 10000 2000 -0 7.9488016 7.5280346 6.5482727 + 10100 2000 -0 7.9490863 7.5283793 6.5508377 + 10200 2000 -0 7.9494738 7.5286559 6.5521934 + 10300 2000 -0 7.94897 7.5280769 6.5494088 + 10400 2000 -0 7.9491066 7.52825 6.5501939 + 10500 2000 -0 7.9493209 7.5285384 6.5519118 + 10600 2000 -0 7.9491644 7.5282301 6.5502712 + 10700 2000 -0 7.9491801 7.5281441 6.5499963 + 10800 2000 -0 7.9493282 7.5284381 6.5515091 + 10900 2000 -0 7.9492367 7.5283402 6.5507061 + 11000 2000 -0 7.9491668 7.5282029 6.5500415 + 11100 2000 -0 7.9493582 7.5283461 6.5510357 + 11200 2000 -0 7.949305 7.5283898 6.55098 + 11300 2000 -0 7.9491619 7.5282773 6.5501609 + 11400 2000 -0 7.9492854 7.5283288 6.5506804 + 11500 2000 -0 7.9493516 7.5283815 6.5509932 + 11600 2000 -0 7.9492185 7.5283196 6.5504137 + 11700 2000 -0 7.9492341 7.5283288 6.5505111 + 11800 2000 -0 7.9493062 7.5283673 6.5508542 + 11900 2000 -0 7.9492738 7.5283272 6.5506104 + 12000 2000 -0 7.9492546 7.5283062 6.5505492 + 12100 2000 -0 7.9492631 7.5283416 6.5507445 + 12200 2000 -0 7.9492627 7.5283173 6.5506804 + 12300 2000 -0 7.9492692 7.5282802 6.5506371 + 12400 2000 -0 7.9492646 7.5282953 6.550753 + 12500 2000 -0 7.9492316 7.5282905 6.5507057 + 12600 2000 -0 7.9492342 7.5282624 6.5506826 + 12700 2000 -0 7.9492517 7.5282775 6.5507828 + 12800 2000 -0 7.9492092 7.5282666 6.5507381 + 12900 2000 -0 7.9491704 7.528266 6.550672 + 13000 2000 -0 7.9491743 7.5282771 6.550743 + 13100 2000 -0 7.9491605 7.5282824 6.5507079 + 13200 2000 -0 7.9491217 7.5282926 6.5506177 + 13300 2000 -0 7.9491063 7.5283202 6.5506443 + 13400 2000 -0 7.949103 7.5283325 6.5506231 + 13500 2000 -0 7.9490907 7.5283364 6.5505438 + 13600 2000 -0 7.9490835 7.5283584 6.5505599 + 13700 2000 -0 7.9490777 7.5283759 6.5505599 + 13800 2000 -0 7.9490712 7.5283756 6.5504932 + 13900 2000 -0 7.9490785 7.5283817 6.5505065 + 14000 2000 -0 7.9490815 7.5283933 6.5505387 + 14100 2000 -0 7.9490684 7.528393 6.5504862 + 14200 2000 -0 7.9490688 7.5283905 6.5504794 + 14300 2000 -0 7.9490814 7.5283907 6.5505315 + 14400 2000 -0 7.9490755 7.5283879 6.5505125 + 14500 2000 -0 7.949065 7.5283808 6.5504867 + 14600 2000 -0 7.9490721 7.5283768 6.5505326 + 14700 2000 -0 7.9490774 7.5283658 6.5505527 + 14800 2000 -0 7.9490719 7.5283503 6.5505371 + 14900 2000 -0 7.9490734 7.5283397 6.5505695 + 15000 2000 -0 7.9490832 7.5283255 6.5506123 + 15100 2000 -0 7.9490922 7.5283034 6.5506235 + 15200 2000 -0 7.9491032 7.5282854 6.550654 + 15300 2000 -0 7.9491184 7.5282713 6.5507005 + 15400 2000 -0 7.9491364 7.5282536 6.5507233 + 15500 2000 -0 7.9491577 7.5282382 6.5507454 + 15600 2000 -0 7.949183 7.5282317 6.550776 + 15700 2000 -0 7.9491951 7.5282268 6.5507835 + 15800 2000 -0 7.9492105 7.5282249 6.5507815 + 15900 2000 -0 7.9492261 7.5282273 6.5507862 + 16000 2000 -0 7.949236 7.5282329 6.5507802 + 16100 2000 -0 7.9492433 7.5282403 6.5507646 + 16200 2000 -0 7.9492443 7.5282461 6.5507548 + 16300 2000 -0 7.9492487 7.528255 6.5507491 + 16400 2000 -0 7.9492492 7.5282612 6.5507372 + 16500 2000 -0 7.9492486 7.5282664 6.5507287 + 16600 2000 -0 7.9492482 7.5282702 6.5507259 + 16700 2000 -0 7.9492484 7.528271 6.550724 + 16800 2000 -0 7.949248 7.5282702 6.550724 + 16900 2000 -0 7.9492465 7.5282682 6.5507268 + 17000 2000 -0 7.9492458 7.5282638 6.550732 + 17100 2000 -0 7.9492503 7.5282577 6.5507415 + 17200 2000 -0 7.949245 7.528249 6.5507522 + 17300 2000 -0 7.949242 7.5282399 6.5507633 + 17400 2000 -0 7.9492423 7.5282314 6.5507781 + 17500 2000 -0 7.9492337 7.5282196 6.5507929 + 17600 2000 -0 7.9492257 7.5282097 6.5508056 + 17700 2000 -0 7.9492144 7.528202 6.5508153 + 17800 2000 -0 7.9492005 7.5281972 6.5508223 + 17900 2000 -0 7.9491836 7.5281958 6.5508215 + 18000 2000 -0 7.949164 7.5281986 6.550812 + 18100 2000 -0 7.949143 7.5282062 6.5507959 + 18200 2000 -0 7.9491222 7.5282177 6.550773 + 18300 2000 -0 7.9491032 7.5282315 6.5507447 + 18400 2000 -0 7.9490869 7.5282471 6.5507157 + 18500 2000 -0 7.9490738 7.5282631 6.5506876 + 18600 2000 -0 7.9490639 7.5282782 6.5506612 + 18700 2000 -0 7.9490575 7.5282917 6.5506397 + 18800 2000 -0 7.9490536 7.5283031 6.5506231 + 18900 2000 -0 7.9490511 7.5283122 6.5506095 + 19000 2000 -0 7.9490498 7.528319 6.5505999 + 19100 2000 -0 7.9490494 7.5283236 6.5505947 + 19200 2000 -0 7.9490504 7.5283266 6.5505913 + 19300 2000 -0 7.9490487 7.5283271 6.5505908 + 19400 2000 -0 7.9490481 7.5283251 6.5505927 + 19500 2000 -0 7.9490469 7.5283215 6.550597 + 19600 2000 -0 7.949046 7.5283161 6.5506036 + 19700 2000 -0 7.9490455 7.5283086 6.5506131 + 19800 2000 -0 7.9490454 7.5282989 6.5506262 + 19900 2000 -0 7.9490466 7.528287 6.550643 + 20000 2000 -0 7.9490497 7.5282729 6.5506641 + 20100 2000 -0 7.9490553 7.5282568 6.5506893 + 20200 2000 -0 7.949064 7.5282394 6.5507187 + 20300 2000 -0 7.9490762 7.5282213 6.5507507 + 20400 2000 -0 7.949092 7.5282037 6.5507836 + 20500 2000 -0 7.94911 7.5281878 6.5508144 + 20600 2000 -0 7.9491297 7.5281748 6.5508407 + 20700 2000 -0 7.9491494 7.5281658 6.5508604 + 20800 2000 -0 7.9491678 7.528161 6.5508721 + 20900 2000 -0 7.9491837 7.5281604 6.5508761 + 21000 2000 -0 7.9491965 7.5281634 6.5508735 + 21100 2000 -0 7.949206 7.5281691 6.5508664 + 21200 2000 -0 7.9492125 7.5281763 6.5508566 + 21300 2000 -0 7.9492165 7.5281841 6.5508459 + 21400 2000 -0 7.9492186 7.5281916 6.5508355 + 21500 2000 -0 7.9492193 7.5281981 6.5508266 + 21600 2000 -0 7.9492209 7.5282042 6.5508206 + 21700 2000 -0 7.9492183 7.5282068 6.5508151 + 21800 2000 -0 7.9492181 7.5282082 6.550813 + 21900 2000 -0 7.9492172 7.5282078 6.5508133 + 22000 2000 -0 7.9492165 7.5282053 6.5508164 + 22100 2000 -0 7.949216 7.5282009 6.5508221 + 22200 2000 -0 7.9492152 7.5281947 6.5508303 + 22300 2000 -0 7.9492139 7.5281868 6.5508407 + 22400 2000 -0 7.9492119 7.5281776 6.5508533 + 22500 2000 -0 7.9492085 7.5281675 6.5508672 + 22600 2000 -0 7.9492032 7.5281571 6.5508813 + 22700 2000 -0 7.9491954 7.5281475 6.5508947 + 22800 2000 -0 7.9491847 7.5281397 6.5509055 + 22900 2000 -0 7.9491707 7.5281345 6.5509114 + 23000 2000 -0 7.9491537 7.5281331 6.5509109 + 23100 2000 -0 7.9491342 7.528136 6.5509027 + 23200 2000 -0 7.9491134 7.5281433 6.5508866 + 23300 2000 -0 7.9490926 7.5281544 6.5508637 + 23400 2000 -0 7.9490734 7.5281684 6.5508363 + 23500 2000 -0 7.9490569 7.528184 6.550807 + 23600 2000 -0 7.9490436 7.5281999 6.5507785 + 23700 2000 -0 7.9490338 7.5282151 6.5507528 + 23800 2000 -0 7.9490271 7.5282287 6.550731 + 23900 2000 -0 7.9490229 7.5282402 6.5507135 + 24000 2000 -0 7.949022 7.5282475 6.5507052 + 24100 2000 -0 7.9490192 7.5282571 6.5506903 + 24200 2000 -0 7.9490187 7.5282612 6.5506857 + 24300 2000 -0 7.9490182 7.5282637 6.5506814 + 24400 2000 -0 7.9490176 7.5282644 6.5506802 + 24500 2000 -0 7.9490169 7.5282632 6.5506827 + 24600 2000 -0 7.9490162 7.52826 6.5506869 + 24700 2000 -0 7.949015 7.5282547 6.5506925 + 24800 2000 -0 7.9490143 7.5282475 6.5507019 + 24900 2000 -0 7.9490142 7.5282382 6.5507152 + 25000 2000 -0 7.949015 7.5282266 6.5507309 + 25100 2000 -0 7.9490178 7.5282127 6.5507512 + 25200 2000 -0 7.9490231 7.5281971 6.5507767 + 25300 2000 -0 7.9490313 7.5281798 6.5508053 + 25400 2000 -0 7.949043 7.5281617 6.5508367 + 25500 2000 -0 7.9490581 7.5281441 6.5508697 + 25600 2000 -0 7.949076 7.5281281 6.5509009 + 25700 2000 -0 7.9490959 7.528112 6.550928 + 25800 2000 -0 7.9491161 7.5281041 6.5509477 + 25900 2000 -0 7.9491345 7.5280996 6.5509612 + 26000 2000 -0 7.9491506 7.5280986 6.5509657 + 26100 2000 -0 7.9491638 7.5281011 6.5509636 + 26200 2000 -0 7.949174 7.5281064 6.5509573 + 26300 2000 -0 7.949181 7.5281134 6.5509475 + 26400 2000 -0 7.9491854 7.5281211 6.5509367 + 26500 2000 -0 7.9491879 7.5281286 6.5509264 + 26600 2000 -0 7.9491889 7.5281353 6.5509172 + 26700 2000 -0 7.9491886 7.5281409 6.5509104 + 26800 2000 -0 7.9491886 7.5281441 6.5509048 + 26900 2000 -0 7.9491879 7.5281458 6.5509024 + 27000 2000 -0 7.9491875 7.5281457 6.5509025 + 27100 2000 -0 7.949187 7.5281435 6.5509052 + 27200 2000 -0 7.9491866 7.5281393 6.5509102 + 27300 2000 -0 7.9491861 7.5281333 6.5509181 + 27400 2000 -0 7.9491851 7.5281257 6.5509283 + 27500 2000 -0 7.9491834 7.5281166 6.5509402 + 27600 2000 -0 7.9491805 7.5281065 6.550954 + 27700 2000 -0 7.9491758 7.5280961 6.5509683 + 27800 2000 -0 7.9491687 7.5280862 6.5509818 + 27900 2000 -0 7.9491588 7.5280779 6.5509931 + 28000 2000 -0 7.9491457 7.5280721 6.5510002 + 28100 2000 -0 7.9491294 7.5280699 6.551001 + 28200 2000 -0 7.9491105 7.5280718 6.5509942 + 28300 2000 -0 7.9490901 7.5280782 6.5509797 + 28400 2000 -0 7.9490695 7.5280885 6.550958 + 28500 2000 -0 7.9490501 7.5281019 6.5509312 + 28600 2000 -0 7.9490332 7.5281172 6.5509022 + 28700 2000 -0 7.9490195 7.5281331 6.5508735 + 28800 2000 -0 7.9490075 7.528149 6.5508475 + 28900 2000 -0 7.9490015 7.528163 6.5508246 + 29000 2000 -0 7.9489976 7.5281742 6.5508062 + 29100 2000 -0 7.9489952 7.5281837 6.5507921 + 29200 2000 -0 7.948994 7.5281911 6.550782 + 29300 2000 -0 7.9489934 7.5281962 6.5507753 + 29400 2000 -0 7.9489932 7.5281992 6.5507715 + 29500 2000 -0 7.9489929 7.5282002 6.5507702 + 29600 2000 -0 7.9489925 7.5281992 6.5507714 + 29700 2000 -0 7.9489918 7.5281964 6.5507748 + 29800 2000 -0 7.948991 7.5281916 6.5507805 + 29900 2000 -0 7.9489903 7.5281848 6.5507891 + 30000 2000 -0 7.9489901 7.5281759 6.5508007 + 30100 2000 -0 7.9489909 7.5281648 6.5508159 + 30200 2000 -0 7.9489933 7.5281515 6.5508353 + 30300 2000 -0 7.948998 7.5281362 6.550859 + 30400 2000 -0 7.9490056 7.5281192 6.5508868 + 30500 2000 -0 7.9490165 7.5281012 6.5509178 + 30600 2000 -0 7.9490309 7.5280833 6.5509503 + 30700 2000 -0 7.9490483 7.5280667 6.5509821 + 30800 2000 -0 7.9490676 7.5280525 6.5510103 + 30900 2000 -0 7.9490876 7.5280418 6.5510325 + 31000 2000 -0 7.9491067 7.5280353 6.5510472 + 31100 2000 -0 7.9491237 7.5280331 6.551054 + 31200 2000 -0 7.9491378 7.5280348 6.5510539 + 31300 2000 -0 7.9491487 7.5280394 6.5510483 + 31400 2000 -0 7.9491564 7.5280461 6.5510392 + 31500 2000 -0 7.9491615 7.5280537 6.5510287 + 31600 2000 -0 7.9491644 7.5280614 6.551018 + 31700 2000 -0 7.9491657 7.5280683 6.5510084 + 31800 2000 -0 7.949166 7.528074 6.5510005 + 31900 2000 -0 7.9491658 7.5280781 6.5509948 + 32000 2000 -0 7.9491652 7.5280804 6.5509914 + 32100 2000 -0 7.949165 7.5280809 6.5509907 + 32200 2000 -0 7.9491641 7.5280793 6.5509925 + 32300 2000 -0 7.9491637 7.5280757 6.5509969 + 32400 2000 -0 7.9491632 7.5280703 6.5510038 + 32500 2000 -0 7.9491625 7.5280632 6.5510132 + 32600 2000 -0 7.9491611 7.5280545 6.5510247 + 32700 2000 -0 7.9491587 7.5280447 6.5510379 + 32800 2000 -0 7.9491546 7.5280344 6.551052 + 32900 2000 -0 7.9491484 7.5280242 6.5510659 + 33000 2000 -0 7.9491395 7.5280153 6.5510781 + 33100 2000 -0 7.9491275 7.5280085 6.5510867 + 33200 2000 -0 7.9491123 7.528005 6.5510898 + 33300 2000 -0 7.9490942 7.5280055 6.5510857 + 33400 2000 -0 7.9490743 7.5280104 6.5510737 + 33500 2000 -0 7.9490536 7.5280195 6.5510543 + 33600 2000 -0 7.9490337 7.5280319 6.5510291 + 33700 2000 -0 7.9490159 7.5280467 6.5510006 + 33800 2000 -0 7.9490011 7.5280624 6.5509715 + 33900 2000 -0 7.9489897 7.528078 6.5509442 + 34000 2000 -0 7.9489816 7.5280924 6.5509203 + 34100 2000 -0 7.9489763 7.528105 6.5509004 + 34200 2000 -0 7.9489732 7.5281155 6.5508849 + 34300 2000 -0 7.9489717 7.5281236 6.5508735 + 34400 2000 -0 7.948971 7.5281295 6.5508656 + 34500 2000 -0 7.9489707 7.5281332 6.5508608 + 34600 2000 -0 7.9489705 7.5281349 6.5508586 + 34700 2000 -0 7.9489701 7.5281347 6.5508588 + 34800 2000 -0 7.9489695 7.5281326 6.5508613 + 34900 2000 -0 7.9489672 7.5281294 6.5508657 + 35000 2000 -0 7.9489679 7.5281227 6.5508731 + 35100 2000 -0 7.9489674 7.5281145 6.5508833 + 35200 2000 -0 7.9489677 7.5281044 6.5508973 + 35300 2000 -0 7.9489695 7.5280919 6.550915 + 35400 2000 -0 7.948973 7.5280774 6.5509365 + 35500 2000 -0 7.9489794 7.5280611 6.5509628 + 35600 2000 -0 7.9489889 7.5280435 6.5509926 + 35700 2000 -0 7.9490018 7.5280255 6.5510245 + 35800 2000 -0 7.949018 7.5280082 6.5510567 + 35900 2000 -0 7.9490366 7.5279929 6.5510867 + 36000 2000 -0 7.9490564 7.5279807 6.5511115 + 36100 2000 -0 7.949076 7.5279725 6.5511293 + 36200 2000 -0 7.949094 7.5279685 6.5511394 + 36300 2000 -0 7.9491093 7.5279687 6.5511419 + 36400 2000 -0 7.9491215 7.5279722 6.5511382 + 36500 2000 -0 7.9491305 7.5279782 6.5511304 + 36600 2000 -0 7.9491366 7.5279855 6.5511203 + 36700 2000 -0 7.9491403 7.5279933 6.5511095 + 36800 2000 -0 7.9491422 7.5280006 6.5510994 + 36900 2000 -0 7.9491429 7.5280069 6.5510907 + 37000 2000 -0 7.9491428 7.5280118 6.551084 + 37100 2000 -0 7.9491423 7.5280149 6.5510796 + 37200 2000 -0 7.9491417 7.5280162 6.5510777 + 37300 2000 -0 7.9491412 7.5280155 6.5510784 + 37400 2000 -0 7.9491407 7.5280129 6.5510816 + 37500 2000 -0 7.9491403 7.5280083 6.5510874 + 37600 2000 -0 7.9491397 7.528002 6.5510957 + 37700 2000 -0 7.9491387 7.527994 6.5511062 + 37800 2000 -0 7.9491368 7.5279847 6.5511187 + 37900 2000 -0 7.9491337 7.5279745 6.5511324 + 38000 2000 -0 7.9491286 7.5279642 6.5511466 + 38100 2000 -0 7.9491211 7.5279546 6.5511598 + 38200 2000 -0 7.9491106 7.5279467 6.5511704 + 38300 2000 -0 7.9490969 7.5279415 6.5511764 + 38400 2000 -0 7.9490802 7.52794 6.5511759 + 38500 2000 -0 7.9490611 7.5279428 6.5511678 + 38600 2000 -0 7.9490407 7.5279499 6.5511519 + 38700 2000 -0 7.9490203 7.5279608 6.5511293 + 38800 2000 -0 7.9490014 7.5279745 6.5511022 + 38900 2000 -0 7.9489851 7.5279899 6.5510732 + 39000 2000 -0 7.9489721 7.5280057 6.5510448 + 39100 2000 -0 7.9489624 7.5280208 6.5510192 + 39200 2000 -0 7.9489558 7.5280344 6.5509973 + 39300 2000 -0 7.9489516 7.528046 6.5509797 + 39400 2000 -0 7.9489493 7.5280554 6.5509663 + 39500 2000 -0 7.9489481 7.5280625 6.5509567 + 39600 2000 -0 7.9489476 7.5280674 6.5509503 + 39700 2000 -0 7.9489475 7.5280702 6.5509463 + 39800 2000 -0 7.9489472 7.5280711 6.5509448 + 39900 2000 -0 7.9489468 7.5280701 6.5509455 + 40000 2000 -0 7.9489461 7.5280673 6.5509484 + 40100 2000 -0 7.9489453 7.5280625 6.5509538 + 40200 2000 -0 7.9489445 7.5280556 6.5509619 + 40300 2000 -0 7.9489443 7.5280466 6.550973 + 40400 2000 -0 7.948945 7.5280353 6.5509879 + 40500 2000 -0 7.9489474 7.5280219 6.5510068 + 40600 2000 -0 7.9489521 7.5280065 6.5510299 + 40700 2000 -0 7.9489597 7.5279895 6.5510571 + 40800 2000 -0 7.9489706 7.5279716 6.5510876 + 40900 2000 -0 7.9489848 7.5279537 6.5511196 + 41000 2000 -0 7.9490019 7.5279372 6.5511508 + 41100 2000 -0 7.949021 7.5279231 6.5511783 + 41200 2000 -0 7.9490405 7.5279137 6.5512001 + 41300 2000 -0 7.9490593 7.5279062 6.551214 + 41400 2000 -0 7.9490759 7.527904 6.5512202 + 41500 2000 -0 7.9490897 7.5279058 6.5512195 + 41600 2000 -0 7.9491004 7.5279105 6.5512136 + 41700 2000 -0 7.9491078 7.5279171 6.5512042 + 41800 2000 -0 7.9491126 7.5279247 6.5511933 + 41900 2000 -0 7.9491153 7.5279324 6.5511823 + 42000 2000 -0 7.9491164 7.5279393 6.5511724 + 42100 2000 -0 7.9491165 7.527945 6.5511641 + 42200 2000 -0 7.949116 7.5279491 6.5511581 + 42300 2000 -0 7.9491153 7.5279515 6.5511543 + 42400 2000 -0 7.9491145 7.5279519 6.5511532 + 42500 2000 -0 7.9491138 7.5279504 6.5511545 + 42600 2000 -0 7.9491132 7.527947 6.5511584 + 42700 2000 -0 7.9491125 7.5279417 6.5511649 + 42800 2000 -0 7.9491115 7.5279347 6.5511737 + 42900 2000 -0 7.9491099 7.5279262 6.5511847 + 43000 2000 -0 7.9491074 7.5279165 6.5511975 + 43100 2000 -0 7.9491033 7.5279061 6.5512112 + 43200 2000 -0 7.9490971 7.5278959 6.5512249 + 43300 2000 -0 7.9490883 7.5278868 6.5512371 + 43400 2000 -0 7.9490764 7.5278798 6.5512459 + 43500 2000 -0 7.9490614 7.5278759 6.5512494 + 43600 2000 -0 7.9490435 7.5278759 6.5512459 + 43700 2000 -0 7.9490235 7.5278802 6.5512346 + 43800 2000 -0 7.9490027 7.5278887 6.5512158 + 43900 2000 -0 7.9489825 7.5279007 6.551191 + 44000 2000 -0 7.9489642 7.5279152 6.5511627 + 44100 2000 -0 7.9489489 7.5279308 6.5511334 + 44200 2000 -0 7.9489368 7.5279464 6.5511056 + 44300 2000 -0 7.9489281 7.5279609 6.5510809 + 44400 2000 -0 7.9489222 7.5279737 6.5510603 + 44500 2000 -0 7.9489186 7.5279844 6.551044 + 44600 2000 -0 7.9489166 7.5279929 6.5510317 + 44700 2000 -0 7.9489156 7.527999 6.551023 + 44800 2000 -0 7.948915 7.5280031 6.5510175 + 44900 2000 -0 7.9489146 7.5280051 6.5510146 + 45000 2000 -0 7.948914 7.5280052 6.5510141 + 45100 2000 -0 7.9489131 7.5280035 6.5510158 + 45200 2000 -0 7.948912 7.5279999 6.5510197 + 45300 2000 -0 7.9489109 7.5279944 6.5510261 + 45400 2000 -0 7.94891 7.5279869 6.5510353 + 45500 2000 -0 7.9489098 7.5279772 6.5510478 + 45600 2000 -0 7.9489107 7.5279654 6.551064 + 45700 2000 -0 7.9489134 7.5279514 6.5510843 + 45800 2000 -0 7.9489186 7.5279356 6.5511089 + 45900 2000 -0 7.9489269 7.5279183 6.5511373 + 46000 2000 -0 7.9489386 7.5279003 6.5511685 + 46100 2000 -0 7.9489535 7.5278828 6.5512004 + 46200 2000 -0 7.9489712 7.5278669 6.5512307 + 46300 2000 -0 7.9489904 7.5278538 6.5512567 + 46400 2000 -0 7.9490097 7.5278445 6.5512762 + 46500 2000 -0 7.9490278 7.5278394 6.551288 + 46600 2000 -0 7.9490435 7.5278384 6.5512921 + 46700 2000 -0 7.9490563 7.5278411 6.5512897 + 46800 2000 -0 7.9490658 7.5278464 6.5512826 + 46900 2000 -0 7.9490723 7.5278535 6.5512727 + 47000 2000 -0 7.9490763 7.5278612 6.5512617 + 47100 2000 -0 7.9490784 7.5278687 6.5512509 + 47200 2000 -0 7.949079 7.5278753 6.5512414 + 47300 2000 -0 7.9490788 7.5278807 6.5512337 + 47400 2000 -0 7.9490781 7.5278843 6.5512283 + 47500 2000 -0 7.9490772 7.5278862 6.5512252 + 47600 2000 -0 7.9490763 7.5278863 6.5512251 + 47700 2000 -0 7.9490756 7.5278844 6.5512274 + 47800 2000 -0 7.9490749 7.5278805 6.5512317 + 47900 2000 -0 7.9490741 7.5278748 6.5512387 + 48000 2000 -0 7.949073 7.5278674 6.5512483 + 48100 2000 -0 7.9490713 7.5278586 6.5512597 + 48200 2000 -0 7.9490684 7.5278487 6.5512726 + 48300 2000 -0 7.949064 7.5278383 6.5512866 + 48400 2000 -0 7.9490573 7.5278282 6.5513001 + 48500 2000 -0 7.9490478 7.5278194 6.5513115 + 48600 2000 -0 7.9490353 7.5278129 6.5513193 + 48700 2000 -0 7.9490196 7.5278097 6.5513215 + 48800 2000 -0 7.9490012 7.5278105 6.5513163 + 48900 2000 -0 7.948981 7.5278157 6.5513034 + 49000 2000 -0 7.9489603 7.527825 6.5512834 + 49100 2000 -0 7.9489405 7.5278375 6.5512576 + 49200 2000 -0 7.9489228 7.5278522 6.5512289 + 49300 2000 -0 7.9489081 7.5278678 6.5512 + 49400 2000 -0 7.9488969 7.5278831 6.5511728 + 49500 2000 -0 7.9488888 7.5278972 6.551149 + 49600 2000 -0 7.9488835 7.5279095 6.5511293 + 49700 2000 -0 7.9488803 7.5279197 6.5511139 + 49800 2000 -0 7.9488785 7.5279275 6.5511024 + 49900 2000 -0 7.9488776 7.5279332 6.5510945 + 50000 2000 -0 7.9488771 7.5279368 6.5510895 + 50100 2000 -0 7.9488767 7.5279384 6.5510871 + 50200 2000 -0 7.948876 7.5279381 6.551087 + 50300 2000 -0 7.9488752 7.5279359 6.5510891 + 50400 2000 -0 7.9488741 7.527932 6.5510934 + 50500 2000 -0 7.948873 7.5279261 6.5511002 + 50600 2000 -0 7.9488722 7.5279182 6.5511099 + 50700 2000 -0 7.9488721 7.5279081 6.5511229 + 50800 2000 -0 7.9488732 7.5278959 6.5511396 + 50900 2000 -0 7.9488763 7.5278816 6.5511605 + 51000 2000 -0 7.9488819 7.5278655 6.5511857 + 51100 2000 -0 7.9488907 7.527848 6.5512145 + 51200 2000 -0 7.9489028 7.52783 6.5512458 + 51300 2000 -0 7.9489182 7.5278126 6.5512776 + 51400 2000 -0 7.9489361 7.527797 6.5513073 + 51500 2000 -0 7.9489553 7.5277844 6.5513324 + 51600 2000 -0 7.9489746 7.5277755 6.5513508 + 51700 2000 -0 7.9489924 7.527771 6.5513615 + 51800 2000 -0 7.9490076 7.5277705 6.5513647 + 51900 2000 -0 7.9490195 7.5277737 6.5513615 + 52000 2000 -0 7.9490283 7.5277794 6.5513539 + 52100 2000 -0 7.949034 7.5277866 6.5513439 + 52200 2000 -0 7.949037 7.5277943 6.551333 + 52300 2000 -0 7.9490382 7.5278017 6.5513225 + 52400 2000 -0 7.9490381 7.5278081 6.5513134 + 52500 2000 -0 7.9490372 7.5278132 6.5513061 + 52600 2000 -0 7.9490358 7.5278167 6.5513011 + 52700 2000 -0 7.9490343 7.5278183 6.5512985 + 52800 2000 -0 7.9490329 7.5278181 6.5512989 + 52900 2000 -0 7.9490315 7.527816 6.5513015 + 53000 2000 -0 7.9490302 7.5278118 6.5513062 + 53100 2000 -0 7.9490288 7.5278059 6.5513136 + 53200 2000 -0 7.9490279 7.5277975 6.5513237 + 53300 2000 -0 7.9490241 7.5277891 6.5513356 + 53400 2000 -0 7.9490211 7.5277793 6.5513482 + 53500 2000 -0 7.949016 7.527769 6.5513626 + 53600 2000 -0 7.9490084 7.527759 6.5513764 + 53700 2000 -0 7.948998 7.5277502 6.5513874 + 53800 2000 -0 7.9489846 7.5277439 6.5513952 + 53900 2000 -0 7.9489681 7.527741 6.5513973 + 54000 2000 -0 7.9489489 7.5277421 6.5513917 + 54100 2000 -0 7.9489279 7.5277475 6.5513784 + 54200 2000 -0 7.9489066 7.527757 6.5513584 + 54300 2000 -0 7.9488862 7.5277697 6.5513326 + 54400 2000 -0 7.948868 7.5277844 6.5513039 + 54500 2000 -0 7.9488529 7.5278 6.5512754 + 54600 2000 -0 7.9488411 7.5278152 6.5512487 + 54700 2000 -0 7.9488325 7.5278292 6.5512253 + 54800 2000 -0 7.9488266 7.5278414 6.5512062 + 54900 2000 -0 7.9488228 7.5278514 6.5511912 + 55000 2000 -0 7.9488204 7.5278592 6.5511801 + 55100 2000 -0 7.9488188 7.5278647 6.5511725 + 55200 2000 -0 7.9488176 7.5278682 6.5511679 + 55300 2000 -0 7.9488165 7.5278697 6.5511657 + 55400 2000 -0 7.9488151 7.5278693 6.5511659 + 55500 2000 -0 7.9488136 7.5278672 6.5511683 + 55600 2000 -0 7.9488118 7.5278632 6.5511728 + 55700 2000 -0 7.94881 7.5278573 6.5511798 + 55800 2000 -0 7.9488085 7.5278494 6.5511897 + 55900 2000 -0 7.9488076 7.5278393 6.5512028 + 56000 2000 -0 7.9488081 7.5278272 6.5512196 + 56100 2000 -0 7.9488104 7.5278129 6.5512407 + 56200 2000 -0 7.9488153 7.5277968 6.5512659 + 56300 2000 -0 7.9488233 7.5277793 6.5512948 + 56400 2000 -0 7.9488347 7.5277613 6.5513262 + 56500 2000 -0 7.9488493 7.527744 6.5513581 + 56600 2000 -0 7.9488664 7.5277283 6.5513879 + 56700 2000 -0 7.9488849 7.5277157 6.5514132 + 56800 2000 -0 7.9489034 7.5277068 6.5514318 + 56900 2000 -0 7.9489205 7.5277022 6.5514428 + 57000 2000 -0 7.9489351 7.5277016 6.5514462 + 57100 2000 -0 7.9489467 7.5277046 6.5514434 + 57200 2000 -0 7.9489551 7.5277101 6.5514361 + 57300 2000 -0 7.9489606 7.5277172 6.5514261 + 57400 2000 -0 7.9489636 7.5277248 6.5514153 + 57500 2000 -0 7.9489647 7.5277322 6.5514049 + 57600 2000 -0 7.9489645 7.5277387 6.5513957 + 57700 2000 -0 7.9489634 7.5277438 6.5513885 + 57800 2000 -0 7.9489619 7.5277473 6.5513834 + 57900 2000 -0 7.9489603 7.527749 6.5513807 + 58000 2000 -0 7.9489587 7.5277489 6.551381 + 58100 2000 -0 7.9489572 7.5277469 6.5513835 + 58200 2000 -0 7.9489558 7.5277428 6.5513881 + 58300 2000 -0 7.9489543 7.527737 6.5513954 + 58400 2000 -0 7.9489526 7.5277295 6.5514052 + 58500 2000 -0 7.9489538 7.5277215 6.551417 + 58600 2000 -0 7.948947 7.5277103 6.5514298 + 58700 2000 -0 7.9489424 7.5276998 6.551444 + 58800 2000 -0 7.9489357 7.5276895 6.5514576 + 58900 2000 -0 7.9489261 7.5276803 6.5514692 + 59000 2000 -0 7.9489135 7.5276736 6.5514773 + 59100 2000 -0 7.9488978 7.5276701 6.5514798 + 59200 2000 -0 7.9488794 7.5276706 6.551475 + 59300 2000 -0 7.9488592 7.5276754 6.5514625 + 59400 2000 -0 7.9488384 7.5276843 6.5514429 + 59500 2000 -0 7.9488184 7.5276965 6.5514176 + 59600 2000 -0 7.9488006 7.5277108 6.5513894 + 59700 2000 -0 7.9487858 7.5277262 6.5513607 + 59800 2000 -0 7.9487742 7.5277411 6.5513338 + 59900 2000 -0 7.9487658 7.527755 6.5513102 + 60000 2000 -0 7.9487603 7.5277672 6.5512907 + 60100 2000 -0 7.9487569 7.5277771 6.5512753 + 60200 2000 -0 7.9487549 7.5277849 6.5512639 + 60300 2000 -0 7.9487538 7.5277905 6.551256 + 60400 2000 -0 7.9487531 7.5277939 6.551251 + 60500 2000 -0 7.9487525 7.5277954 6.5512486 + 60600 2000 -0 7.9487517 7.5277951 6.5512485 + 60700 2000 -0 7.9487507 7.5277929 6.5512505 + 60800 2000 -0 7.9487495 7.527789 6.5512547 + 60900 2000 -0 7.9487482 7.5277831 6.5512613 + 61000 2000 -0 7.9487471 7.5277753 6.5512707 + 61100 2000 -0 7.9487466 7.5277654 6.5512832 + 61200 2000 -0 7.9487474 7.5277534 6.5512994 + 61300 2000 -0 7.9487499 7.5277392 6.5513196 + 61400 2000 -0 7.9487549 7.5277231 6.551344 + 61500 2000 -0 7.9487629 7.5277057 6.5513722 + 61600 2000 -0 7.9487743 7.5276875 6.5514032 + 61700 2000 -0 7.9487889 7.5276698 6.5514349 + 61800 2000 -0 7.9488062 7.5276536 6.5514651 + 61900 2000 -0 7.9488251 7.5276402 6.5514912 + 62000 2000 -0 7.9488442 7.5276305 6.5515108 + 62100 2000 -0 7.9488621 7.5276249 6.5515229 + 62200 2000 -0 7.9488777 7.5276235 6.5515275 + 62300 2000 -0 7.9488903 7.5276257 6.5515255 + 62400 2000 -0 7.9488998 7.5276306 6.5515188 + 62500 2000 -0 7.9489063 7.5276373 6.5515091 + 62600 2000 -0 7.9489103 7.5276446 6.5514983 + 62700 2000 -0 7.9489123 7.5276519 6.5514876 + 62800 2000 -0 7.9489128 7.5276583 6.5514781 + 62900 2000 -0 7.9489125 7.5276635 6.5514704 + 63000 2000 -0 7.9489117 7.5276671 6.5514648 + 63100 2000 -0 7.9489107 7.5276689 6.5514616 + 63200 2000 -0 7.9489097 7.527669 6.5514611 + 63300 2000 -0 7.9489089 7.5276672 6.5514631 + 63400 2000 -0 7.9489086 7.5276637 6.5514673 + 63500 2000 -0 7.9489073 7.5276575 6.5514739 + 63600 2000 -0 7.9489063 7.5276501 6.551483 + 63700 2000 -0 7.9489046 7.5276413 6.5514942 + 63800 2000 -0 7.948902 7.5276313 6.5515069 + 63900 2000 -0 7.9488979 7.5276207 6.5515208 + 64000 2000 -0 7.9488918 7.5276102 6.5515346 + 64100 2000 -0 7.9488831 7.5276008 6.5515467 + 64200 2000 -0 7.9488713 7.5275934 6.5515557 + 64300 2000 -0 7.9488564 7.5275891 6.5515596 + 64400 2000 -0 7.9488387 7.5275886 6.5515566 + 64500 2000 -0 7.948819 7.5275923 6.551546 + 64600 2000 -0 7.9487983 7.5276002 6.551528 + 64700 2000 -0 7.9487782 7.5276117 6.5515039 + 64800 2000 -0 7.9487598 7.5276255 6.5514762 + 64900 2000 -0 7.9487443 7.5276407 6.5514474 + 65000 2000 -0 7.9487321 7.5276559 6.5514199 + 65100 2000 -0 7.9487231 7.5276701 6.5513954 + 65200 2000 -0 7.948717 7.5276826 6.5513748 + 65300 2000 -0 7.9487132 7.5276931 6.5513585 + 65400 2000 -0 7.948711 7.5277014 6.5513461 + 65500 2000 -0 7.9487098 7.5277075 6.5513372 + 65600 2000 -0 7.9487092 7.5277115 6.5513315 + 65700 2000 -0 7.9487086 7.5277135 6.5513284 + 65800 2000 -0 7.948708 7.5277137 6.5513277 + 65900 2000 -0 7.9487071 7.527712 6.5513291 + 66000 2000 -0 7.948706 7.5277085 6.5513326 + 66100 2000 -0 7.9487047 7.5277032 6.5513384 + 66200 2000 -0 7.9487036 7.527696 6.5513467 + 66300 2000 -0 7.9487029 7.5276867 6.5513582 + 66400 2000 -0 7.9487033 7.5276753 6.5513731 + 66500 2000 -0 7.9487052 7.5276618 6.551392 + 66600 2000 -0 7.9487093 7.5276463 6.5514151 + 66700 2000 -0 7.9487163 7.5276292 6.5514421 + 66800 2000 -0 7.9487266 7.5276112 6.5514722 + 66900 2000 -0 7.9487402 7.5275932 6.5515039 + 67000 2000 -0 7.9487567 7.5275765 6.5515348 + 67100 2000 -0 7.9487752 7.5275621 6.5515623 + 67200 2000 -0 7.9487943 7.5275511 6.5515841 + 67300 2000 -0 7.9488127 7.5275442 6.5515986 + 67400 2000 -0 7.9488291 7.5275415 6.5516055 + 67500 2000 -0 7.9488435 7.5275438 6.5516054 + 67600 2000 -0 7.9488528 7.5275468 6.5515999 + 67700 2000 -0 7.9488606 7.5275528 6.5515912 + 67800 2000 -0 7.9488653 7.52756 6.5515805 + 67900 2000 -0 7.9488678 7.5275674 6.5515696 + 68000 2000 -0 7.9488689 7.5275741 6.5515598 + 68100 2000 -0 7.9488688 7.5275798 6.5515513 + 68200 2000 -0 7.9488681 7.5275839 6.5515449 + 68300 2000 -0 7.9488671 7.5275863 6.5515409 + 68400 2000 -0 7.9488661 7.527587 6.5515394 + 68500 2000 -0 7.9488652 7.5275857 6.5515407 + 68600 2000 -0 7.9488645 7.5275825 6.551544 + 68700 2000 -0 7.9488637 7.5275774 6.5515497 + 68800 2000 -0 7.9488629 7.5275707 6.5515579 + 68900 2000 -0 7.9488616 7.5275623 6.5515684 + 69000 2000 -0 7.9488595 7.5275526 6.5515805 + 69100 2000 -0 7.9488561 7.5275422 6.551594 + 69200 2000 -0 7.9488509 7.5275315 6.5516081 + 69300 2000 -0 7.9488433 7.5275215 6.551621 + 69400 2000 -0 7.9488328 7.5275132 6.5516314 + 69500 2000 -0 7.9488192 7.5275075 6.5516376 + 69600 2000 -0 7.9488027 7.5275054 6.5516375 + 69700 2000 -0 7.9487837 7.5275074 6.5516299 + 69800 2000 -0 7.9487633 7.5275136 6.5516148 + 69900 2000 -0 7.9487429 7.5275237 6.551593 + 70000 2000 -0 7.9487238 7.5275367 6.5515664 + 70100 2000 -0 7.9487071 7.5275514 6.5515379 + 70200 2000 -0 7.9486936 7.5275666 6.5515098 + 70300 2000 -0 7.9486834 7.5275813 6.551484 + 70400 2000 -0 7.9486763 7.5275945 6.5514618 + 70500 2000 -0 7.9486716 7.5276059 6.5514438 + 70600 2000 -0 7.9486689 7.5276151 6.5514298 + 70700 2000 -0 7.9486674 7.527622 6.5514196 + 70800 2000 -0 7.9486667 7.5276269 6.5514127 + 70900 2000 -0 7.9486661 7.5276297 6.5514086 + 71000 2000 -0 7.9486656 7.5276306 6.5514069 + 71100 2000 -0 7.9486648 7.5276297 6.5514073 + 71200 2000 -0 7.9486638 7.527627 6.5514099 + 71300 2000 -0 7.9486626 7.5276226 6.5514146 + 71400 2000 -0 7.9486614 7.5276163 6.5514217 + 71500 2000 -0 7.9486605 7.527608 6.5514317 + 71600 2000 -0 7.9486603 7.5275976 6.5514449 + 71700 2000 -0 7.9486614 7.5275851 6.5514619 + 71800 2000 -0 7.9486644 7.5275705 6.5514829 + 71900 2000 -0 7.94867 7.5275542 6.5515081 + 72000 2000 -0 7.9486787 7.5275366 6.5515368 + 72100 2000 -0 7.9486908 7.5275189 6.551568 + 72200 2000 -0 7.9487059 7.5275011 6.5515994 + 72300 2000 -0 7.9487235 7.5274855 6.5516286 + 72400 2000 -0 7.9487426 7.5274729 6.5516533 + 72500 2000 -0 7.9487614 7.527464 6.5516713 + 72600 2000 -0 7.9487788 7.5274593 6.5516817 + 72700 2000 -0 7.9487938 7.5274587 6.5516848 + 72800 2000 -0 7.9488058 7.5274616 6.5516817 + 72900 2000 -0 7.9488146 7.5274669 6.5516742 + 73000 2000 -0 7.9488205 7.5274738 6.5516642 + 73100 2000 -0 7.9488269 7.5274812 6.5516534 + 73200 2000 -0 7.9488257 7.5274883 6.5516429 + 73300 2000 -0 7.9488261 7.5274945 6.5516336 + 73400 2000 -0 7.9488256 7.5274994 6.5516262 + 73500 2000 -0 7.9488248 7.5275027 6.551621 + 73600 2000 -0 7.9488238 7.5275043 6.5516181 + 73700 2000 -0 7.9488228 7.5275041 6.551618 + 73800 2000 -0 7.948822 7.527502 6.5516204 + 73900 2000 -0 7.9488212 7.5274979 6.5516247 + 74000 2000 -0 7.9488205 7.527492 6.5516315 + 74100 2000 -0 7.9488195 7.5274845 6.551641 + 74200 2000 -0 7.9488179 7.5274755 6.5516522 + 74300 2000 -0 7.9488153 7.5274655 6.551665 + 74400 2000 -0 7.9488112 7.5274549 6.5516789 + 74500 2000 -0 7.9488049 7.5274445 6.5516926 + 74600 2000 -0 7.9487961 7.5274352 6.5517045 + 74700 2000 -0 7.9487842 7.527428 6.5517132 + 74800 2000 -0 7.9487693 7.5274239 6.5517167 + 74900 2000 -0 7.9487516 7.5274236 6.5517132 + 75000 2000 -0 7.9487319 7.5274276 6.5517022 + 75100 2000 -0 7.9487114 7.5274356 6.551684 + 75200 2000 -0 7.9486914 7.5274472 6.5516598 + 75300 2000 -0 7.9486734 7.5274611 6.5516321 + 75400 2000 -0 7.9486581 7.5274761 6.5516036 + 75500 2000 -0 7.9486462 7.5274912 6.5515764 + 75600 2000 -0 7.9486374 7.5275053 6.5515521 + 75700 2000 -0 7.9486315 7.5275177 6.5515319 + 75800 2000 -0 7.9486278 7.5275281 6.5515157 + 75900 2000 -0 7.9486258 7.5275363 6.5515035 + 76000 2000 -0 7.9486247 7.5275423 6.5514948 + 76100 2000 -0 7.9486241 7.5275463 6.5514892 + 76200 2000 -0 7.9486236 7.5275483 6.5514861 + 76300 2000 -0 7.948623 7.5275484 6.5514853 + 76400 2000 -0 7.9486222 7.5275468 6.5514867 + 76500 2000 -0 7.9486211 7.5275435 6.5514901 + 76600 2000 -0 7.9486198 7.5275383 6.5514957 + 76700 2000 -0 7.9486187 7.5275312 6.5515039 + 76800 2000 -0 7.948618 7.5275222 6.551515 + 76900 2000 -0 7.9486182 7.527511 6.5515295 + 77000 2000 -0 7.9486199 7.5274977 6.551548 + 77100 2000 -0 7.9486238 7.5274825 6.5515706 + 77200 2000 -0 7.9486305 7.5274656 6.5515971 + 77300 2000 -0 7.9486405 7.5274478 6.5516268 + 77400 2000 -0 7.9486537 7.5274299 6.5516582 + 77500 2000 -0 7.9486699 7.527413 6.551689 + 77600 2000 -0 7.9486881 7.5273985 6.5517168 + 77700 2000 -0 7.9487072 7.5273872 6.5517391 + 77800 2000 -0 7.9487256 7.5273799 6.5517543 + 77900 2000 -0 7.9487421 7.5273768 6.5517619 + 78000 2000 -0 7.948756 7.5273776 6.5517625 + 78100 2000 -0 7.9487668 7.5273814 6.5517576 + 78200 2000 -0 7.9487745 7.5273874 6.551749 + 78300 2000 -0 7.9487795 7.5273946 6.5517385 + 78400 2000 -0 7.9487822 7.527402 6.5517276 + 78500 2000 -0 7.9487834 7.5274089 6.5517175 + 78600 2000 -0 7.9487834 7.5274147 6.5517089 + 78700 2000 -0 7.9487828 7.5274191 6.5517022 + 78800 2000 -0 7.9487818 7.5274218 6.5516978 + 78900 2000 -0 7.9487808 7.5274228 6.5516958 + 79000 2000 -0 7.9487799 7.5274219 6.5516967 + 79100 2000 -0 7.9487792 7.5274192 6.5516996 + 79200 2000 -0 7.9487784 7.5274145 6.5517047 + 79300 2000 -0 7.9487776 7.5274081 6.5517124 + 79400 2000 -0 7.9487765 7.5274002 6.5517225 + 79500 2000 -0 7.9487747 7.5273908 6.5517341 + 79600 2000 -0 7.9487717 7.5273805 6.5517474 + 79700 2000 -0 7.948767 7.52737 6.5517614 + 79800 2000 -0 7.9487601 7.5273598 6.5517746 + 79900 2000 -0 7.9487504 7.527351 6.5517858 + 80000 2000 -0 7.9487377 7.5273446 6.5517931 + 80100 2000 -0 7.9487219 7.5273416 6.5517947 + 80200 2000 -0 7.9487036 7.5273426 6.551789 + 80300 2000 -0 7.9486836 7.5273478 6.5517759 + 80400 2000 -0 7.9486632 7.5273569 6.5517558 + 80500 2000 -0 7.9486437 7.5273692 6.5517304 + 80600 2000 -0 7.9486265 7.5273836 6.5517023 + 80700 2000 -0 7.9486122 7.5273987 6.5516741 + 80800 2000 -0 7.9486012 7.5274136 6.5516477 + 80900 2000 -0 7.9485934 7.5274272 6.5516246 + 81000 2000 -0 7.9485882 7.5274391 6.5516056 + 81100 2000 -0 7.9485859 7.5274494 6.5515908 + 81200 2000 -0 7.9485834 7.5274563 6.5515794 + 81300 2000 -0 7.9485825 7.5274618 6.5515718 + 81400 2000 -0 7.948582 7.5274652 6.5515669 + 81500 2000 -0 7.9485815 7.5274667 6.5515644 + 81600 2000 -0 7.9485809 7.5274664 6.5515643 + 81700 2000 -0 7.94858 7.5274644 6.5515662 + 81800 2000 -0 7.9485788 7.5274606 6.55157 + 81900 2000 -0 7.9485776 7.527455 6.5515762 + 82000 2000 -0 7.9485765 7.5274475 6.5515851 + 82100 2000 -0 7.9485759 7.527438 6.5515969 + 82200 2000 -0 7.9485764 7.5274264 6.5516123 + 82300 2000 -0 7.9485786 7.5274127 6.5516316 + 82400 2000 -0 7.9485831 7.5273971 6.551655 + 82500 2000 -0 7.9485904 7.52738 6.5516822 + 82600 2000 -0 7.948601 7.5273621 6.5517124 + 82700 2000 -0 7.9486149 7.5273443 6.5517438 + 82800 2000 -0 7.9486316 7.5273279 6.5517741 + 82900 2000 -0 7.9486501 7.527314 6.5518008 + 83000 2000 -0 7.948669 7.5273036 6.5518216 + 83100 2000 -0 7.9486871 7.5272973 6.5518351 + 83200 2000 -0 7.9487031 7.527295 6.5518411 + 83300 2000 -0 7.9487163 7.5272965 6.5518404 + 83400 2000 -0 7.9487263 7.5273009 6.5518346 + 83500 2000 -0 7.9487334 7.5273073 6.5518255 + 83600 2000 -0 7.9487379 7.5273145 6.5518149 + 83700 2000 -0 7.9487402 7.5273219 6.5518041 + 83800 2000 -0 7.9487411 7.5273286 6.5517942 + 83900 2000 -0 7.948741 7.5273342 6.551786 + 84000 2000 -0 7.9487402 7.5273383 6.5517797 + 84100 2000 -0 7.9487392 7.5273407 6.5517757 + 84200 2000 -0 7.9487383 7.5273413 6.5517743 + 84300 2000 -0 7.9487374 7.5273402 6.5517756 + 84400 2000 -0 7.9487366 7.5273371 6.5517789 + 84500 2000 -0 7.9487359 7.5273321 6.5517843 + 84600 2000 -0 7.9487351 7.5273255 6.5517925 + 84700 2000 -0 7.948734 7.5273173 6.5518029 + 84800 2000 -0 7.948732 7.5273078 6.5518148 + 84900 2000 -0 7.9487288 7.5272974 6.5518282 + 85000 2000 -0 7.9487239 7.5272869 6.5518422 + 85100 2000 -0 7.9487166 7.5272769 6.5518552 + 85200 2000 -0 7.9487066 7.5272684 6.5518659 + 85300 2000 -0 7.9486935 7.5272625 6.5518726 + 85400 2000 -0 7.9486774 7.52726 6.5518732 + 85500 2000 -0 7.9486588 7.5272615 6.5518665 + 85600 2000 -0 7.9486387 7.5272673 6.5518525 + 85700 2000 -0 7.9486184 7.5272769 6.5518316 + 85800 2000 -0 7.9485993 7.5272895 6.5518058 + 85900 2000 -0 7.9485825 7.527304 6.5517777 + 86000 2000 -0 7.9485687 7.5273192 6.5517496 + 86100 2000 -0 7.9485582 7.5273338 6.5517237 + 86200 2000 -0 7.9485508 7.5273473 6.5517012 + 86300 2000 -0 7.9485459 7.5273589 6.5516828 + 86400 2000 -0 7.948543 7.5273683 6.5516683 + 86500 2000 -0 7.9485415 7.5273756 6.5516577 + 86600 2000 -0 7.9485407 7.5273808 6.5516504 + 86700 2000 -0 7.9485402 7.527384 6.5516458 + 86800 2000 -0 7.9485398 7.5273853 6.5516437 + 86900 2000 -0 7.9485391 7.5273848 6.5516437 + 87000 2000 -0 7.9485382 7.5273826 6.5516457 + 87100 2000 -0 7.948537 7.5273787 6.5516498 + 87200 2000 -0 7.9485358 7.527373 6.5516562 + 87300 2000 -0 7.9485347 7.5273654 6.5516652 + 87400 2000 -0 7.9485342 7.5273557 6.5516772 + 87500 2000 -0 7.9485348 7.527344 6.5516928 + 87600 2000 -0 7.9485371 7.5273302 6.5517124 + 87700 2000 -0 7.9485417 7.5273145 6.551736 + 87800 2000 -0 7.9485492 7.5272974 6.5517634 + 87900 2000 -0 7.9485605 7.5272797 6.5517928 + 88000 2000 -0 7.9485752 7.5272622 6.5518233 + 88100 2000 -0 7.9485926 7.5272462 6.5518526 + 88200 2000 -0 7.9486117 7.5272327 6.5518779 + 88300 2000 -0 7.9486313 7.5272227 6.5518973 + 88400 2000 -0 7.9486498 7.5272169 6.5519096 + 88500 2000 -0 7.9486663 7.5272151 6.5519142 + 88600 2000 -0 7.9486799 7.5272169 6.5519123 + 88700 2000 -0 7.9486904 7.5272216 6.5519055 + 88800 2000 -0 7.9486979 7.5272282 6.5518954 + 88900 2000 -0 7.9487028 7.5272357 6.5518839 + 89000 2000 -0 7.9487057 7.5272433 6.5518724 + 89100 2000 -0 7.9487072 7.5272501 6.5518617 + 89200 2000 -0 7.9487076 7.5272558 6.5518526 + 89300 2000 -0 7.9487074 7.5272601 6.5518456 + 89400 2000 -0 7.9487071 7.5272626 6.5518409 + 89500 2000 -0 7.9487067 7.5272635 6.5518386 + 89600 2000 -0 7.9487065 7.5272625 6.5518391 + 89700 2000 -0 7.9487063 7.5272596 6.5518416 + 89800 2000 -0 7.9487063 7.5272548 6.5518462 + 89900 2000 -0 7.9487061 7.5272484 6.5518535 + 90000 2000 -0 7.9487056 7.5272404 6.551863 + 90100 2000 -0 7.9487043 7.5272311 6.551874 + 90200 2000 -0 7.9487018 7.527221 6.5518866 + 90300 2000 -0 7.9486975 7.5272106 6.5518997 + 90400 2000 -0 7.948691 7.5272008 6.5519118 + 90500 2000 -0 7.9486816 7.5271925 6.5519217 + 90600 2000 -0 7.9486692 7.5271867 6.5519276 + 90700 2000 -0 7.9486538 7.5271843 6.5519275 + 90800 2000 -0 7.948636 7.527186 6.5519202 + 90900 2000 -0 7.9486166 7.5271918 6.5519055 + 91000 2000 -0 7.948597 7.5272016 6.551884 + 91100 2000 -0 7.9485784 7.5272143 6.5518575 + 91200 2000 -0 7.9485622 7.5272289 6.5518287 + 91300 2000 -0 7.948549 7.5272442 6.5517999 + 91400 2000 -0 7.9485391 7.5272591 6.5517731 + 91500 2000 -0 7.9485322 7.5272727 6.5517498 + 91600 2000 -0 7.9485279 7.5272845 6.5517305 + 91700 2000 -0 7.9485256 7.5272942 6.5517151 + 91800 2000 -0 7.9485247 7.5273018 6.5517036 + 91900 2000 -0 7.9485245 7.5273072 6.5516953 + 92000 2000 -0 7.9485247 7.5273107 6.5516898 + 92100 2000 -0 7.9485248 7.5273122 6.5516867 + 92200 2000 -0 7.9485251 7.5273121 6.5516858 + 92300 2000 -0 7.9485248 7.5273103 6.5516869 + 92400 2000 -0 7.948524 7.5273066 6.5516899 + 92500 2000 -0 7.9485234 7.5273012 6.5516952 + 92600 2000 -0 7.9485229 7.527294 6.5517031 + 92700 2000 -0 7.9485229 7.5272848 6.5517139 + 92800 2000 -0 7.948524 7.5272735 6.5517283 + 92900 2000 -0 7.9485267 7.5272601 6.5517465 + 93000 2000 -0 7.9485317 7.5272448 6.5517688 + 93100 2000 -0 7.9485395 7.527228 6.5517949 + 93200 2000 -0 7.9485506 7.5272104 6.5518239 + 93300 2000 -0 7.9485649 7.527193 6.5518542 + 93400 2000 -0 7.9485821 7.5271768 6.5518835 + 93500 2000 -0 7.948601 7.527163 6.5519093 + 93600 2000 -0 7.9486206 7.5271527 6.5519294 + 93700 2000 -0 7.9486392 7.5271464 6.5519423 + 93800 2000 -0 7.9486559 7.5271442 6.5519477 + 93900 2000 -0 7.9486698 7.5271457 6.5519465 + 94000 2000 -0 7.9486807 7.5271502 6.55194 + 94100 2000 -0 7.9486885 7.5271566 6.5519303 + 94200 2000 -0 7.9486937 7.527164 6.5519188 + 94300 2000 -0 7.9486968 7.5271716 6.5519072 + 94400 2000 -0 7.9486984 7.5271785 6.5518964 + 94500 2000 -0 7.948699 7.5271843 6.5518871 + 94600 2000 -0 7.948699 7.5271887 6.5518798 + 94700 2000 -0 7.9486987 7.5271915 6.5518747 + 94800 2000 -0 7.9486984 7.5271925 6.5518721 + 94900 2000 -0 7.9486982 7.5271918 6.5518722 + 95000 2000 -0 7.9486982 7.5271891 6.5518743 + 95100 2000 -0 7.9486982 7.5271846 6.5518785 + 95200 2000 -0 7.948698 7.5271783 6.5518855 + 95300 2000 -0 7.9486978 7.5271706 6.5518946 + 95400 2000 -0 7.9486968 7.5271614 6.5519053 + 95500 2000 -0 7.9486946 7.5271514 6.5519176 + 95600 2000 -0 7.9486908 7.527141 6.5519306 + 95700 2000 -0 7.9486848 7.527131 6.551943 + 95800 2000 -0 7.948676 7.5271224 6.5519533 + 95900 2000 -0 7.9486643 7.5271161 6.55196 + 96000 2000 -0 7.9486496 7.527113 6.5519611 + 96100 2000 -0 7.9486322 7.5271138 6.5519551 + 96200 2000 -0 7.9486132 7.5271189 6.5519417 + 96300 2000 -0 7.9485937 7.5271279 6.5519214 + 96400 2000 -0 7.948575 7.5271401 6.5518957 + 96500 2000 -0 7.9485584 7.5271543 6.5518672 + 96600 2000 -0 7.9485447 7.5271695 6.5518384 + 96700 2000 -0 7.9485343 7.5271845 6.5518111 + 96800 2000 -0 7.948527 7.5271983 6.5517871 + 96900 2000 -0 7.9485224 7.5272105 6.5517671 + 97000 2000 -0 7.9485199 7.5272206 6.551751 + 97100 2000 -0 7.9485188 7.5272285 6.5517387 + 97200 2000 -0 7.9485186 7.5272343 6.5517298 + 97300 2000 -0 7.9485188 7.5272381 6.5517238 + 97400 2000 -0 7.9485191 7.52724 6.5517202 + 97500 2000 -0 7.9485192 7.5272402 6.5517188 + 97600 2000 -0 7.9485191 7.5272387 6.5517194 + 97700 2000 -0 7.9485187 7.5272354 6.551722 + 97800 2000 -0 7.9485181 7.5272305 6.5517267 + 97900 2000 -0 7.9485176 7.5272237 6.5517339 + 98000 2000 -0 7.9485176 7.5272149 6.5517439 + 98100 2000 -0 7.9485184 7.5272041 6.5517572 + 98200 2000 -0 7.9485207 7.5271913 6.5517744 + 98300 2000 -0 7.9485251 7.5271764 6.5517956 + 98400 2000 -0 7.9485322 7.52716 6.5518207 + 98500 2000 -0 7.9485424 7.5271426 6.5518489 + 98600 2000 -0 7.948556 7.527125 6.5518789 + 98700 2000 -0 7.9485724 7.5271084 6.5519086 + 98800 2000 -0 7.948591 7.5270939 6.5519354 + 98900 2000 -0 7.9486105 7.5270826 6.551957 + 99000 2000 -0 7.9486296 7.5270752 6.5519718 + 99100 2000 -0 7.9486469 7.5270719 6.5519792 + 99200 2000 -0 7.9486615 7.5270725 6.5519795 + 99300 2000 -0 7.9486732 7.5270763 6.5519743 + 99400 2000 -0 7.9486818 7.5270822 6.5519652 + 99500 2000 -0 7.9486877 7.5270895 6.551954 + 99600 2000 -0 7.9486913 7.527097 6.5519424 + 99700 2000 -0 7.9486933 7.5271042 6.5519313 + 99800 2000 -0 7.9486941 7.5271104 6.5519215 + 99900 2000 -0 7.9486942 7.5271152 6.5519136 + 100000 2000 -0 7.9486939 7.5271185 6.5519079 +Loop time of 87.7116 on 1 procs for 100000 steps with 2000 atoms + +Performance: 98504.589 tau/day, 1140.099 timesteps/s, 2.280 Matom-step/s +99.5% CPU use with 1 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 66.081 | 66.081 | 66.081 | 0.0 | 75.34 +Neigh | 2.7411 | 2.7411 | 2.7411 | 0.0 | 3.13 +Comm | 1.3393 | 1.3393 | 1.3393 | 0.0 | 1.53 +Output | 0.029473 | 0.029473 | 0.029473 | 0.0 | 0.03 +Modify | 16.598 | 16.598 | 16.598 | 0.0 | 18.92 +Other | | 0.9233 | | | 1.05 + +Nlocal: 2000 ave 2000 max 2000 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 494 ave 494 max 494 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 9635 ave 9635 max 9635 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 9635 +Ave neighs/atom = 4.8175 +Neighbor list builds = 3285 +Dangerous builds = 0 + +Total wall time: 0:01:27 diff --git a/examples/granular/log.15Sep22.pour.heat.g++.4 b/examples/granular/log.15Sep22.pour.heat.g++.4 new file mode 100644 index 0000000000..f159302d65 --- /dev/null +++ b/examples/granular/log.15Sep22.pour.heat.g++.4 @@ -0,0 +1,1172 @@ +LAMMPS (15 Sep 2022) +# pour one types of particles into cylinder and oscillate +# temperature of the bottom plate + +variable name string heat_plate + +atom_style sphere/temp +units lj + +############################################### +# Geometry-related parameters +############################################### + +variable boxx equal 10 +variable boxy equal 10 +variable boxz equal 50 + +variable drum_rad equal ${boxx}*0.5 +variable drum_rad equal 10*0.5 +variable drum_height equal 30 + +variable xc equal 0.5*${boxx} +variable xc equal 0.5*10 +variable yc equal 0.5*${boxx} +variable yc equal 0.5*10 +variable zc equal 0.5*${boxz} +variable zc equal 0.5*50 + +############################################### +# Particle-related parameters +############################################### +variable rlo equal 0.25 +variable rhi equal 0.5 +variable dlo equal 2.0*${rlo} +variable dlo equal 2.0*0.25 +variable dhi equal 2.0*${rhi} +variable dhi equal 2.0*0.5 + +variable cyl_rad_inner equal ${drum_rad}-1.1*${rhi} +variable cyl_rad_inner equal 5-1.1*${rhi} +variable cyl_rad_inner equal 5-1.1*0.5 + +variable dens equal 1.0 + +variable skin equal 0.4*${rhi} +variable skin equal 0.4*0.5 + +############# +processors * * 1 +region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz} +region boxreg block 0 10 0 ${boxy} 0 ${boxz} +region boxreg block 0 10 0 10 0 ${boxz} +region boxreg block 0 10 0 10 0 50 +create_box 2 boxreg +Created orthogonal box = (0 0 0) to (10 10 50) + 2 by 2 by 1 MPI processor grid +change_box all boundary p p f +Changing box ... + +pair_style granular +pair_coeff * * hertz/material 1e5 0.2 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji heat area 5.0 + +region curved_wall cylinder z ${xc} ${yc} ${drum_rad} 0 ${drum_height} side in +region curved_wall cylinder z 5 ${yc} ${drum_rad} 0 ${drum_height} side in +region curved_wall cylinder z 5 5 ${drum_rad} 0 ${drum_height} side in +region curved_wall cylinder z 5 5 5 0 ${drum_height} side in +region curved_wall cylinder z 5 5 5 0 30 side in +region bottom_wall plane ${xc} ${yc} 0 0 0 1 side in +region bottom_wall plane 5 ${yc} 0 0 0 1 side in +region bottom_wall plane 5 5 0 0 0 1 side in + +region insreg cylinder z ${xc} ${yc} ${cyl_rad_inner} ${drum_height} ${boxz} +region insreg cylinder z 5 ${yc} ${cyl_rad_inner} ${drum_height} ${boxz} +region insreg cylinder z 5 5 ${cyl_rad_inner} ${drum_height} ${boxz} +region insreg cylinder z 5 5 4.45 ${drum_height} ${boxz} +region insreg cylinder z 5 5 4.45 30 ${boxz} +region insreg cylinder z 5 5 4.45 30 50 + +fix 0 all balance 100 1.0 shift xy 5 1.1 +fix 1 all nve/sphere +fix 2 all heat/flow/sphere/temp constant 1.0 +fix grav all gravity 10 vector 0 0 -1 +fix ins1 all pour 1000 1 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens} +fix ins1 all pour 1000 1 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens} +fix ins1 all pour 1000 1 1234 region insreg diam range 0.5 1 dens ${dens} ${dens} +fix ins1 all pour 1000 1 1234 region insreg diam range 0.5 1 dens 1 ${dens} +fix ins1 all pour 1000 1 1234 region insreg diam range 0.5 1 dens 1 1 +Particle insertion: 594 every 400 steps, 1000 by step 401 +fix ins2 all pour 1000 2 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens} +fix ins2 all pour 1000 2 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens} +fix ins2 all pour 1000 2 1234 region insreg diam range 0.5 1 dens ${dens} ${dens} +fix ins2 all pour 1000 2 1234 region insreg diam range 0.5 1 dens 1 ${dens} +fix ins2 all pour 1000 2 1234 region insreg diam range 0.5 1 dens 1 1 +Particle insertion: 594 every 400 steps, 1000 by step 401 + +comm_modify vel yes + +neighbor ${skin} bin +neighbor 0.2 bin +neigh_modify delay 0 every 1 check yes + +variable oscillate equal 1.0*sin(step*0.0001) + +fix 3 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall +fix 4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji heat area 5.0 region bottom_wall temperature v_oscillate + +thermo_style custom step atoms ke pxx pyy pzz +thermo_modify lost warn +thermo 100 + +timestep 0.001 + +#dump 1 all custom 1000 ${name}.dump id type radius mass x y z temperature heatflow + +#For removal later +compute 1 all property/atom radius +variable zmax atom z+c_1>0.5*${drum_height} +variable zmax atom z+c_1>0.5*30 +group delgroup dynamic all var zmax every 10000 +dynamic group delgroup defined + +run 100000 +Generated 0 of 1 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 = 1.2 + ghost atom cutoff = 1.2 + binsize = 0.6, bins = 17 17 84 + 1 neighbor lists, perpetual/occasional/extra = 1 0 0 + (1) pair granular, perpetual + attributes: half, newton on, size, history + pair build: half/size/bin/newton + stencil: half/bin/3d + bin: standard +Per MPI rank memory allocation (min/avg/max) = 5.847 | 5.847 | 5.847 Mbytes + Step Atoms KinEng Pxx Pyy Pzz + 0 0 -0 0 0 0 +WARNING: Less insertions than requested (../fix_pour.cpp:681) +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 100 536 -0 0 0 7.4220499 + 200 536 -0 0 0 10.753096 + 300 536 -0 0 0 13.500241 + 400 536 -0 0 0 18.036636 +WARNING: Less insertions than requested (../fix_pour.cpp:681) +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 500 903 -0 0 0 25.955524 + 600 903 -0 0 0 32.116907 + 700 903 -0 0.03620165 0.033499977 32.179357 + 800 903 -0 0.2106713 0.26431108 36.206318 +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 900 1265 -0 0.2667335 0.20266671 44.177757 + 1000 1265 -0 0.51829265 0.67739212 49.904079 + 1100 1265 -0 0.87525564 0.6604066 53.13465 + 1200 1265 -0 0.8016023 0.82120199 54.27487 +WARNING: Less insertions than requested (../fix_pour.cpp:681) + 1300 1618 -0 1.0922969 1.2299526 61.033455 + 1400 1618 -0 3.4739827 3.2058732 60.989867 + 1500 1618 -0 2.952107 2.7920855 61.208615 + 1600 1618 -0 3.4540208 3.5863396 62.262722 + 1700 2000 -0 3.8875418 4.0835421 69.087737 + 1800 2000 -0 4.1780246 5.0584026 70.734293 + 1900 2000 -0 4.5873576 4.7767119 76.481264 + 2000 2000 -0 7.1355414 6.9027373 76.136305 + 2100 2000 -0 7.3292721 6.9457021 74.022659 + 2200 2000 -0 9.1771132 9.0399042 72.911506 + 2300 2000 -0 9.5743887 10.359952 70.996904 + 2400 2000 -0 12.1002 12.023765 68.246157 + 2500 2000 -0 10.68678 11.126488 59.337387 + 2600 2000 -0 10.444117 10.845713 57.115639 + 2700 2000 -0 12.012219 11.766618 56.397063 + 2800 2000 -0 12.987283 13.30882 55.411279 + 2900 2000 -0 11.55722 12.213726 48.690822 + 3000 2000 -0 11.124576 11.369397 43.425073 + 3100 2000 -0 12.54896 12.507632 45.15522 + 3200 2000 -0 13.119307 13.345554 41.469993 + 3300 2000 -0 12.07449 11.769699 32.849662 + 3400 2000 -0 11.409224 11.606583 28.228622 + 3500 2000 -0 13.30178 13.057278 28.120788 + 3600 2000 -0 12.362318 12.451842 22.030785 + 3700 2000 -0 10.065639 10.350313 14.404919 + 3800 2000 -0 9.2215449 9.4216178 10.78298 + 3900 2000 -0 9.1484555 9.2548793 9.4609704 + 4000 2000 -0 8.7679202 8.7720055 7.9592505 + 4100 2000 -0 7.9639161 8.0843783 6.2748484 + 4200 2000 -0 7.4475613 7.662972 5.7240274 + 4300 2000 -0 7.3834943 7.5643205 5.8884721 + 4400 2000 -0 7.5767328 7.7567295 6.4335134 + 4500 2000 -0 7.6350768 7.7802709 6.5220595 + 4600 2000 -0 7.5680597 7.7360764 6.2252142 + 4700 2000 -0 7.5455586 7.7200666 6.1870466 + 4800 2000 -0 7.5889323 7.7502568 6.3364001 + 4900 2000 -0 7.5976185 7.7506557 6.3511631 + 5000 2000 -0 7.5729575 7.7396108 6.226979 + 5100 2000 -0 7.5828423 7.7333361 6.2543182 + 5200 2000 -0 7.5997211 7.7682298 6.3300795 + 5300 2000 -0 7.5951405 7.7598744 6.3224087 + 5400 2000 -0 7.5703525 7.7452048 6.2321318 + 5500 2000 -0 7.5893936 7.7516359 6.2777047 + 5600 2000 -0 7.596363 7.7645306 6.3388976 + 5700 2000 -0 7.5889409 7.7570078 6.2848334 + 5800 2000 -0 7.5820271 7.7456337 6.2569579 + 5900 2000 -0 7.5946475 7.7646155 6.3117599 + 6000 2000 -0 7.5979789 7.7656429 6.3160667 + 6100 2000 -0 7.586255 7.7584393 6.2682341 + 6200 2000 -0 7.5860817 7.7574904 6.2792591 + 6300 2000 -0 7.5952765 7.7646058 6.3189922 + 6400 2000 -0 7.5996199 7.7770424 6.2986723 + 6500 2000 -0 7.5902888 7.7688566 6.2761571 + 6600 2000 -0 7.5950388 7.76863 6.2895943 + 6700 2000 -0 7.5966236 7.7691368 6.302048 + 6800 2000 -0 7.5939532 7.7641262 6.2726096 + 6900 2000 -0 7.5951993 7.7682327 6.2895245 + 7000 2000 -0 7.6023185 7.7697092 6.3080702 + 7100 2000 -0 7.5960578 7.7674031 6.2848334 + 7200 2000 -0 7.5982345 7.7654466 6.2788045 + 7300 2000 -0 7.6023187 7.7710769 6.3041624 + 7400 2000 -0 7.5974296 7.7673886 6.283173 + 7500 2000 -0 7.5973168 7.7670675 6.2788593 + 7600 2000 -0 7.5996473 7.7703847 6.2996016 + 7700 2000 -0 7.5973523 7.7680426 6.2917276 + 7800 2000 -0 7.5955633 7.7663282 6.2774422 + 7900 2000 -0 7.596774 7.7680408 6.2913039 + 8000 2000 -0 7.5990211 7.7682504 6.2971218 + 8100 2000 -0 7.5969667 7.7674553 6.2827596 + 8200 2000 -0 7.5968217 7.768405 6.2864438 + 8300 2000 -0 7.6003301 7.7675972 6.2968783 + 8400 2000 -0 7.5968968 7.7675447 6.2851363 + 8500 2000 -0 7.5964945 7.7664669 6.2821348 + 8600 2000 -0 7.59847 7.7686981 6.2935599 + 8700 2000 -0 7.5973531 7.7680237 6.2892401 + 8800 2000 -0 7.5962388 7.7660642 6.2824211 + 8900 2000 -0 7.5974758 7.7679467 6.2894374 + 9000 2000 -0 7.5980837 7.7680794 6.2922818 + 9100 2000 -0 7.5964734 7.766756 6.2837584 + 9200 2000 -0 7.5970307 7.7673294 6.2867417 + 9300 2000 -0 7.5979654 7.7680887 6.2924025 + 9400 2000 -0 7.5968814 7.7671306 6.2861078 + 9500 2000 -0 7.5967607 7.7670542 6.2853516 + 9600 2000 -0 7.5978051 7.7679583 6.2911802 + 9700 2000 -0 7.597238 7.767496 6.2880951 + 9800 2000 -0 7.596697 7.7670074 6.2853135 + 9900 2000 -0 7.5974854 7.7676519 6.2894109 + 10000 2000 -0 7.5974415 7.7676866 6.2894089 + 10100 2000 -0 7.5968332 7.7671611 6.2858705 + 10200 2000 -0 7.5971895 7.7673771 6.2881001 + 10300 2000 -0 7.5974344 7.7675998 6.2897713 + 10400 2000 -0 7.5969756 7.767279 6.2867879 + 10500 2000 -0 7.5970506 7.7672894 6.2872789 + 10600 2000 -0 7.5973817 7.7675529 6.2895398 + 10700 2000 -0 7.597085 7.7673281 6.2876393 + 10800 2000 -0 7.5969757 7.7672429 6.2869852 + 10900 2000 -0 7.5973016 7.7675261 6.2890364 + 11000 2000 -0 7.5971776 7.7674059 6.2882417 + 11100 2000 -0 7.596955 7.7672303 6.2870489 + 11200 2000 -0 7.5971842 7.7674346 6.288507 + 11300 2000 -0 7.5972149 7.7674441 6.2885796 + 11400 2000 -0 7.5969922 7.7672746 6.2872884 + 11500 2000 -0 7.5970948 7.7673717 6.2880589 + 11600 2000 -0 7.5971991 7.7674426 6.2886788 + 11700 2000 -0 7.5970217 7.7673051 6.2876396 + 11800 2000 -0 7.5970385 7.767356 6.2877736 + 11900 2000 -0 7.5971592 7.7674896 6.2885954 + 12000 2000 -0 7.5970437 7.7673831 6.2879896 + 12100 2000 -0 7.5969799 7.7673414 6.2876892 + 12200 2000 -0 7.597104 7.7674691 6.2883867 + 12300 2000 -0 7.5970688 7.7674421 6.2882073 + 12400 2000 -0 7.5969667 7.7673544 6.2877266 + 12500 2000 -0 7.5970342 7.7674299 6.2881961 + 12600 2000 -0 7.5970575 7.7674563 6.2883162 + 12700 2000 -0 7.5969702 7.7673919 6.2878499 + 12800 2000 -0 7.5969875 7.7674105 6.2880279 + 12900 2000 -0 7.5970261 7.7674542 6.2883236 + 13000 2000 -0 7.5969638 7.7674093 6.2880003 + 13100 2000 -0 7.5969523 7.7674055 6.2879583 + 13200 2000 -0 7.5969948 7.7674543 6.2882605 + 13300 2000 -0 7.5969671 7.7674324 6.2881167 + 13400 2000 -0 7.5969481 7.7674096 6.2879707 + 13500 2000 -0 7.5969704 7.7674472 6.2881927 + 13600 2000 -0 7.5969604 7.7674502 6.2881801 + 13700 2000 -0 7.5969111 7.7674226 6.2880031 + 13800 2000 -0 7.5969206 7.7674314 6.288133 + 13900 2000 -0 7.5969259 7.7674429 6.2882037 + 14000 2000 -0 7.5968972 7.7674314 6.2880579 + 14100 2000 -0 7.5968963 7.7674369 6.2880968 + 14200 2000 -0 7.5969042 7.7674469 6.2882024 + 14300 2000 -0 7.5968803 7.7674344 6.2881112 + 14400 2000 -0 7.59687 7.7674353 6.2880896 + 14500 2000 -0 7.5968808 7.7674514 6.2881879 + 14600 2000 -0 7.5968666 7.7674452 6.28815 + 14700 2000 -0 7.5968485 7.7674368 6.2880988 + 14800 2000 -0 7.5968535 7.767448 6.2881738 + 14900 2000 -0 7.5968474 7.7674514 6.2881775 + 15000 2000 -0 7.5968308 7.7674448 6.2881173 + 15100 2000 -0 7.5968288 7.7674504 6.2881599 + 15200 2000 -0 7.5968259 7.7674545 6.2881943 + 15300 2000 -0 7.5968096 7.7674493 6.2881446 + 15400 2000 -0 7.5968036 7.7674548 6.2881534 + 15500 2000 -0 7.5968025 7.7674625 6.2881974 + 15600 2000 -0 7.5967877 7.7674575 6.2881698 + 15700 2000 -0 7.5967763 7.7674574 6.2881574 + 15800 2000 -0 7.5967748 7.7674674 6.2881956 + 15900 2000 -0 7.5967648 7.7674695 6.2881883 + 16000 2000 -0 7.5967506 7.7674666 6.2881665 + 16100 2000 -0 7.5967447 7.7674721 6.2881929 + 16200 2000 -0 7.596737 7.7674775 6.2882018 + 16300 2000 -0 7.596724 7.7674779 6.2881798 + 16400 2000 -0 7.5967156 7.7674817 6.2881911 + 16500 2000 -0 7.5967078 7.7674863 6.2882086 + 16600 2000 -0 7.5966952 7.7674871 6.288195 + 16700 2000 -0 7.5966855 7.7674905 6.288195 + 16800 2000 -0 7.5966849 7.7675018 6.2882111 + 16900 2000 -0 7.5966659 7.767499 6.2882084 + 17000 2000 -0 7.5966553 7.7674989 6.288203 + 17100 2000 -0 7.5966481 7.7675039 6.288216 + 17200 2000 -0 7.5966391 7.7675079 6.2882174 + 17300 2000 -0 7.5966284 7.7675095 6.2882114 + 17400 2000 -0 7.5966197 7.7675124 6.2882207 + 17500 2000 -0 7.5966116 7.7675184 6.2882274 + 17600 2000 -0 7.5966015 7.7675179 6.2882213 + 17700 2000 -0 7.596598 7.7675217 6.2882271 + 17800 2000 -0 7.5965839 7.7675249 6.2882319 + 17900 2000 -0 7.5965764 7.7675277 6.2882321 + 18000 2000 -0 7.5965694 7.7675324 6.2882345 + 18100 2000 -0 7.5965606 7.7675381 6.288242 + 18200 2000 -0 7.5965529 7.7675402 6.2882446 + 18300 2000 -0 7.5965448 7.7675416 6.2882447 + 18400 2000 -0 7.5965376 7.7675437 6.2882479 + 18500 2000 -0 7.5965312 7.7675449 6.2882502 + 18600 2000 -0 7.5965234 7.7675465 6.2882488 + 18700 2000 -0 7.5965164 7.7675489 6.2882532 + 18800 2000 -0 7.5965092 7.7675524 6.2882585 + 18900 2000 -0 7.5965015 7.7675553 6.2882605 + 19000 2000 -0 7.5964943 7.7675579 6.288263 + 19100 2000 -0 7.5964874 7.7675604 6.2882669 + 19200 2000 -0 7.59648 7.7675614 6.2882681 + 19300 2000 -0 7.5964723 7.7675626 6.2882686 + 19400 2000 -0 7.596465 7.7675656 6.2882725 + 19500 2000 -0 7.5964572 7.7675691 6.2882763 + 19600 2000 -0 7.5964488 7.767572 6.2882784 + 19700 2000 -0 7.5964406 7.7675747 6.2882815 + 19800 2000 -0 7.5964328 7.7675771 6.2882844 + 19900 2000 -0 7.5964247 7.7675792 6.288285 + 20000 2000 -0 7.5964164 7.7675815 6.2882866 + 20100 2000 -0 7.5964079 7.7675846 6.28829 + 20200 2000 -0 7.596399 7.7675881 6.2882925 + 20300 2000 -0 7.5963909 7.7675919 6.2882955 + 20400 2000 -0 7.5963809 7.7675953 6.2882972 + 20500 2000 -0 7.5963752 7.7676011 6.2883018 + 20600 2000 -0 7.5963619 7.7676092 6.2883037 + 20700 2000 -0 7.5963522 7.767611 6.2883069 + 20800 2000 -0 7.5963411 7.7676172 6.28831 + 20900 2000 -0 7.5963304 7.7676213 6.2883118 + 21000 2000 -0 7.5963203 7.767625 6.2883148 + 21100 2000 -0 7.5963105 7.7676285 6.2883181 + 21200 2000 -0 7.5963007 7.7676317 6.2883195 + 21300 2000 -0 7.5962911 7.7676349 6.2883215 + 21400 2000 -0 7.5962816 7.7676382 6.2883246 + 21500 2000 -0 7.5962731 7.7676543 6.288331 + 21600 2000 -0 7.5962632 7.7676583 6.2883332 + 21700 2000 -0 7.5962548 7.767661 6.2883366 + 21800 2000 -0 7.5962459 7.7676634 6.2883395 + 21900 2000 -0 7.5962373 7.7676655 6.2883415 + 22000 2000 -0 7.5962319 7.7676679 6.2883449 + 22100 2000 -0 7.5962209 7.7676703 6.2883465 + 22200 2000 -0 7.5962128 7.7676725 6.2883506 + 22300 2000 -0 7.5962054 7.7676747 6.2883528 + 22400 2000 -0 7.5961978 7.7676768 6.2883553 + 22500 2000 -0 7.5961903 7.7676789 6.288359 + 22600 2000 -0 7.596183 7.7676807 6.2883613 + 22700 2000 -0 7.5961756 7.7676824 6.288363 + 22800 2000 -0 7.5961685 7.7676843 6.2883669 + 22900 2000 -0 7.5961616 7.7676859 6.2883701 + 23000 2000 -0 7.5961555 7.7676881 6.2883726 + 23100 2000 -0 7.5961478 7.7676894 6.2883761 + 23200 2000 -0 7.5961408 7.7676905 6.2883794 + 23300 2000 -0 7.5961337 7.7676917 6.2883816 + 23400 2000 -0 7.5961266 7.7676931 6.2883848 + 23500 2000 -0 7.5961196 7.7676947 6.2883884 + 23600 2000 -0 7.5961122 7.7676962 6.2883911 + 23700 2000 -0 7.5961047 7.7676979 6.2883942 + 23800 2000 -0 7.5960972 7.7676997 6.2883977 + 23900 2000 -0 7.5960894 7.7677015 6.2884004 + 24000 2000 -0 7.5960814 7.7677033 6.288403 + 24100 2000 -0 7.5960734 7.7677054 6.2884061 + 24200 2000 -0 7.5960651 7.7677076 6.2884089 + 24300 2000 -0 7.5960576 7.76771 6.2884124 + 24400 2000 -0 7.5960487 7.7677127 6.288415 + 24500 2000 -0 7.596039 7.7677152 6.2884169 + 24600 2000 -0 7.59603 7.7677178 6.2884192 + 24700 2000 -0 7.5960208 7.7677205 6.2884216 + 24800 2000 -0 7.5960115 7.7677234 6.2884242 + 24900 2000 -0 7.5960021 7.7677264 6.2884266 + 25000 2000 -0 7.5959926 7.7677293 6.288429 + 25100 2000 -0 7.595983 7.7677323 6.2884316 + 25200 2000 -0 7.5959735 7.7677352 6.2884341 + 25300 2000 -0 7.5959639 7.7677381 6.2884365 + 25400 2000 -0 7.5959544 7.7677409 6.2884391 + 25500 2000 -0 7.5959449 7.7677437 6.2884418 + 25600 2000 -0 7.5959355 7.7677464 6.2884444 + 25700 2000 -0 7.5959262 7.7677491 6.2884471 + 25800 2000 -0 7.5959171 7.7677518 6.2884498 + 25900 2000 -0 7.5959081 7.7677543 6.2884525 + 26000 2000 -0 7.5958993 7.7677567 6.2884551 + 26100 2000 -0 7.5958907 7.7677591 6.2884578 + 26200 2000 -0 7.595883 7.7677616 6.2884607 + 26300 2000 -0 7.5958752 7.7677633 6.2884628 + 26400 2000 -0 7.5958661 7.7677658 6.288466 + 26500 2000 -0 7.5958577 7.7677683 6.2884697 + 26600 2000 -0 7.5958499 7.7677701 6.2884712 + 26700 2000 -0 7.5958424 7.767772 6.2884735 + 26800 2000 -0 7.5958352 7.7677742 6.2884777 + 26900 2000 -0 7.5958278 7.767776 6.2884798 + 27000 2000 -0 7.5958205 7.7677777 6.2884817 + 27100 2000 -0 7.5958171 7.7677861 6.2884867 + 27200 2000 -0 7.5958058 7.767782 6.2884877 + 27300 2000 -0 7.5957995 7.767783 6.2884897 + 27400 2000 -0 7.5957928 7.7677845 6.2884941 + 27500 2000 -0 7.5957858 7.7677862 6.2884971 + 27600 2000 -0 7.5957786 7.7677876 6.2884991 + 27700 2000 -0 7.5957716 7.7677894 6.2885028 + 27800 2000 -0 7.5957644 7.7677911 6.2885058 + 27900 2000 -0 7.595757 7.7677927 6.2885082 + 28000 2000 -0 7.5957496 7.7677945 6.2885114 + 28100 2000 -0 7.5957421 7.7677965 6.2885146 + 28200 2000 -0 7.5957342 7.7677984 6.288517 + 28300 2000 -0 7.5957263 7.7678006 6.2885197 + 28400 2000 -0 7.5957182 7.7678029 6.2885227 + 28500 2000 -0 7.5957098 7.7678053 6.2885251 + 28600 2000 -0 7.595701 7.7678109 6.2885275 + 28700 2000 -0 7.5956927 7.7678104 6.2885301 + 28800 2000 -0 7.5956839 7.7678133 6.2885325 + 28900 2000 -0 7.5956749 7.7678161 6.2885345 + 29000 2000 -0 7.5956658 7.7678191 6.2885369 + 29100 2000 -0 7.5956566 7.7678222 6.2885392 + 29200 2000 -0 7.5956473 7.7678253 6.2885412 + 29300 2000 -0 7.5956379 7.7678284 6.2885434 + 29400 2000 -0 7.5956285 7.7678315 6.2885458 + 29500 2000 -0 7.595619 7.7678346 6.288548 + 29600 2000 -0 7.5956096 7.7678376 6.2885502 + 29700 2000 -0 7.5956004 7.7678407 6.2885528 + 29800 2000 -0 7.5955908 7.7678436 6.2885551 + 29900 2000 -0 7.5955816 7.7678465 6.2885573 + 30000 2000 -0 7.5955725 7.7678494 6.2885598 + 30100 2000 -0 7.5955635 7.7678522 6.2885623 + 30200 2000 -0 7.5955547 7.7678548 6.2885646 + 30300 2000 -0 7.5955461 7.7678575 6.2885671 + 30400 2000 -0 7.5955377 7.7678601 6.2885696 + 30500 2000 -0 7.5955317 7.7678632 6.288572 + 30600 2000 -0 7.5955209 7.7678646 6.2885732 + 30700 2000 -0 7.5955138 7.7678673 6.2885773 + 30800 2000 -0 7.5955057 7.7678698 6.2885802 + 30900 2000 -0 7.5954978 7.7678719 6.2885813 + 31000 2000 -0 7.5954905 7.7678739 6.2885838 + 31100 2000 -0 7.5954836 7.7678764 6.2885876 + 31200 2000 -0 7.5954763 7.7678782 6.2885891 + 31300 2000 -0 7.5954742 7.7678842 6.2885893 + 31400 2000 -0 7.5954635 7.7678813 6.2885963 + 31500 2000 -0 7.5954662 7.7678813 6.2885978 + 31600 2000 -0 7.5954651 7.767881 6.2885992 + 31700 2000 -0 7.5954652 7.7678813 6.2886059 + 31800 2000 -0 7.5954642 7.7678815 6.2886093 + 31900 2000 -0 7.5954627 7.7678812 6.2886098 + 32000 2000 -0 7.5954619 7.7678816 6.2886155 + 32100 2000 -0 7.5954608 7.767882 6.2886199 + 32200 2000 -0 7.595459 7.7678819 6.2886212 + 32300 2000 -0 7.5954574 7.7678824 6.2886253 + 32400 2000 -0 7.5954559 7.7678831 6.2886303 + 32500 2000 -0 7.5954537 7.7678834 6.2886323 + 32600 2000 -0 7.5954513 7.7678841 6.2886353 + 32700 2000 -0 7.5954491 7.767885 6.2886401 + 32800 2000 -0 7.5954463 7.7678859 6.2886428 + 32900 2000 -0 7.5954433 7.7678868 6.2886452 + 33000 2000 -0 7.5954404 7.7678881 6.2886494 + 33100 2000 -0 7.5954372 7.7678894 6.2886525 + 33200 2000 -0 7.5954345 7.76789 6.2886545 + 33300 2000 -0 7.5954319 7.7678907 6.2886578 + 33400 2000 -0 7.5954292 7.7678914 6.2886612 + 33500 2000 -0 7.5954262 7.767892 6.2886633 + 33600 2000 -0 7.5954232 7.7678927 6.2886662 + 33700 2000 -0 7.5954203 7.7678934 6.2886697 + 33800 2000 -0 7.5954172 7.767894 6.2886722 + 33900 2000 -0 7.5954142 7.7678945 6.288675 + 34000 2000 -0 7.5954113 7.7678952 6.2886785 + 34100 2000 -0 7.5954084 7.7678956 6.2886814 + 34200 2000 -0 7.5954056 7.767896 6.2886841 + 34300 2000 -0 7.595403 7.7678964 6.2886876 + 34400 2000 -0 7.5954005 7.7678968 6.2886908 + 34500 2000 -0 7.5953981 7.7678969 6.2886936 + 34600 2000 -0 7.5953959 7.7678971 6.2886968 + 34700 2000 -0 7.595394 7.7678972 6.2887001 + 34800 2000 -0 7.5953953 7.7678972 6.288703 + 34900 2000 -0 7.5953889 7.767897 6.2887047 + 35000 2000 -0 7.5953908 7.7678971 6.2887098 + 35100 2000 -0 7.5953877 7.7678973 6.2887122 + 35200 2000 -0 7.5953867 7.767897 6.2887144 + 35300 2000 -0 7.5953863 7.7678962 6.2887182 + 35400 2000 -0 7.5953856 7.7678962 6.288722 + 35500 2000 -0 7.5953849 7.7678956 6.2887237 + 35600 2000 -0 7.5953846 7.7678951 6.2887271 + 35700 2000 -0 7.5953844 7.7678947 6.2887309 + 35800 2000 -0 7.595384 7.767894 6.2887334 + 35900 2000 -0 7.5953838 7.7678933 6.2887362 + 36000 2000 -0 7.5953837 7.7678927 6.2887403 + 36100 2000 -0 7.5953834 7.767892 6.2887432 + 36200 2000 -0 7.595383 7.7678913 6.2887459 + 36300 2000 -0 7.5953827 7.7678907 6.2887498 + 36400 2000 -0 7.5953821 7.7678901 6.2887531 + 36500 2000 -0 7.5953814 7.7678895 6.2887558 + 36600 2000 -0 7.5953807 7.7678891 6.2887593 + 36700 2000 -0 7.5953797 7.7678887 6.2887627 + 36800 2000 -0 7.5953785 7.7678884 6.2887654 + 36900 2000 -0 7.5953772 7.7678883 6.2887685 + 37000 2000 -0 7.5953757 7.7678884 6.2887717 + 37100 2000 -0 7.595374 7.7678885 6.2887744 + 37200 2000 -0 7.5953721 7.7678888 6.2887771 + 37300 2000 -0 7.59537 7.7678892 6.2887801 + 37400 2000 -0 7.5953678 7.7678897 6.2887827 + 37500 2000 -0 7.5953654 7.7678903 6.2887851 + 37600 2000 -0 7.5953628 7.767891 6.2887879 + 37700 2000 -0 7.5953602 7.7678918 6.2887906 + 37800 2000 -0 7.5953571 7.7678929 6.288793 + 37900 2000 -0 7.5953545 7.7678935 6.2887957 + 38000 2000 -0 7.5953517 7.7678941 6.2887985 + 38100 2000 -0 7.5953488 7.7678949 6.2888011 + 38200 2000 -0 7.5953459 7.7678956 6.2888037 + 38300 2000 -0 7.5953431 7.7678962 6.2888066 + 38400 2000 -0 7.5953404 7.7678969 6.2888094 + 38500 2000 -0 7.5953377 7.7678974 6.2888122 + 38600 2000 -0 7.5953352 7.7678979 6.2888151 + 38700 2000 -0 7.5953328 7.7678983 6.288818 + 38800 2000 -0 7.5953306 7.7678987 6.2888209 + 38900 2000 -0 7.5953285 7.7678991 6.2888238 + 39000 2000 -0 7.5953266 7.7678994 6.2888267 + 39100 2000 -0 7.5953284 7.7678993 6.2888299 + 39200 2000 -0 7.5953221 7.7679002 6.2888311 + 39300 2000 -0 7.5953225 7.7678998 6.2888359 + 39400 2000 -0 7.5953215 7.7678999 6.2888384 + 39500 2000 -0 7.5953234 7.7678996 6.2888401 + 39600 2000 -0 7.5953197 7.7678996 6.2888437 + 39700 2000 -0 7.5953193 7.7678996 6.2888471 + 39800 2000 -0 7.5953187 7.7678992 6.2888486 + 39900 2000 -0 7.5953185 7.7678989 6.2888519 + 40000 2000 -0 7.5953185 7.7678987 6.2888555 + 40100 2000 -0 7.5953171 7.7678976 6.2888576 + 40200 2000 -0 7.595318 7.7678977 6.2888603 + 40300 2000 -0 7.5953181 7.7678973 6.2888642 + 40400 2000 -0 7.5953178 7.7678967 6.2888668 + 40500 2000 -0 7.5953175 7.7678962 6.2888695 + 40600 2000 -0 7.5953174 7.7678958 6.2888733 + 40700 2000 -0 7.5953169 7.7678954 6.2888761 + 40800 2000 -0 7.5953162 7.767895 6.2888787 + 40900 2000 -0 7.5953155 7.7678947 6.288882 + 41000 2000 -0 7.5953147 7.7678946 6.2888851 + 41100 2000 -0 7.5953136 7.7678944 6.2888876 + 41200 2000 -0 7.5953123 7.7678945 6.2888905 + 41300 2000 -0 7.5953109 7.7678948 6.2888936 + 41400 2000 -0 7.5953091 7.7678948 6.2888961 + 41500 2000 -0 7.595307 7.7678943 6.2888989 + 41600 2000 -0 7.5953046 7.7678939 6.2889022 + 41700 2000 -0 7.5953019 7.7678935 6.2889051 + 41800 2000 -0 7.595299 7.7678933 6.2889079 + 41900 2000 -0 7.5952973 7.7678931 6.2889112 + 42000 2000 -0 7.595293 7.7678931 6.2889142 + 42100 2000 -0 7.5952897 7.7678929 6.2889165 + 42200 2000 -0 7.5952864 7.7678928 6.2889198 + 42300 2000 -0 7.5952831 7.7678928 6.288923 + 42400 2000 -0 7.5952797 7.7678926 6.2889256 + 42500 2000 -0 7.5952764 7.7678925 6.2889289 + 42600 2000 -0 7.595274 7.7678914 6.2889322 + 42700 2000 -0 7.5952704 7.7678916 6.2889354 + 42800 2000 -0 7.595267 7.7678911 6.2889384 + 42900 2000 -0 7.5952656 7.7678941 6.2889425 + 43000 2000 -0 7.5952627 7.7678921 6.2889451 + 43100 2000 -0 7.5952594 7.7678889 6.2889481 + 43200 2000 -0 7.5952565 7.7678879 6.2889509 + 43300 2000 -0 7.5952547 7.7678871 6.2889548 + 43400 2000 -0 7.5952557 7.767886 6.2889583 + 43500 2000 -0 7.5952503 7.7678854 6.2889594 + 43600 2000 -0 7.5952493 7.7678839 6.288965 + 43700 2000 -0 7.5952482 7.7678827 6.2889677 + 43800 2000 -0 7.5952467 7.7678813 6.2889694 + 43900 2000 -0 7.5952458 7.7678801 6.2889739 + 44000 2000 -0 7.5952454 7.7678787 6.2889774 + 44100 2000 -0 7.5952449 7.7678768 6.2889786 + 44200 2000 -0 7.5952449 7.7678753 6.2889822 + 44300 2000 -0 7.595245 7.7678737 6.288986 + 44400 2000 -0 7.5952448 7.7678718 6.2889879 + 44500 2000 -0 7.5952448 7.7678699 6.2889908 + 44600 2000 -0 7.595245 7.7678683 6.2889949 + 44700 2000 -0 7.5952448 7.7678663 6.2889974 + 44800 2000 -0 7.5952446 7.7678644 6.289 + 44900 2000 -0 7.595245 7.7678622 6.2890034 + 45000 2000 -0 7.5952444 7.767861 6.2890073 + 45100 2000 -0 7.5952437 7.7678593 6.2890094 + 45200 2000 -0 7.595243 7.7678577 6.2890129 + 45300 2000 -0 7.5952422 7.7678563 6.289016 + 45400 2000 -0 7.5952411 7.7678549 6.2890185 + 45500 2000 -0 7.5952399 7.7678537 6.2890214 + 45600 2000 -0 7.5952386 7.7678526 6.2890245 + 45700 2000 -0 7.595237 7.7678516 6.2890269 + 45800 2000 -0 7.5952352 7.7678508 6.2890295 + 45900 2000 -0 7.5952333 7.7678501 6.2890323 + 46000 2000 -0 7.5952312 7.7678495 6.2890348 + 46100 2000 -0 7.5952289 7.767849 6.289037 + 46200 2000 -0 7.5952265 7.7678486 6.2890397 + 46300 2000 -0 7.595224 7.7678482 6.2890422 + 46400 2000 -0 7.5952213 7.7678478 6.2890445 + 46500 2000 -0 7.5952186 7.7678474 6.2890471 + 46600 2000 -0 7.5952159 7.767847 6.2890498 + 46700 2000 -0 7.5952132 7.7678466 6.2890522 + 46800 2000 -0 7.5952105 7.7678462 6.2890548 + 46900 2000 -0 7.5952078 7.7678457 6.2890576 + 47000 2000 -0 7.5952052 7.767848 6.2890603 + 47100 2000 -0 7.5952028 7.7678445 6.2890629 + 47200 2000 -0 7.5952004 7.7678438 6.2890658 + 47300 2000 -0 7.5951983 7.767843 6.2890684 + 47400 2000 -0 7.5951963 7.7678421 6.289071 + 47500 2000 -0 7.5951945 7.7678412 6.2890739 + 47600 2000 -0 7.5951928 7.7678403 6.2890766 + 47700 2000 -0 7.5951936 7.7678391 6.2890792 + 47800 2000 -0 7.5951902 7.7678383 6.2890813 + 47900 2000 -0 7.5951889 7.7678373 6.2890856 + 48000 2000 -0 7.5951881 7.7678358 6.2890872 + 48100 2000 -0 7.5951873 7.7678344 6.2890892 + 48200 2000 -0 7.595187 7.7678333 6.2890933 + 48300 2000 -0 7.5951866 7.7678318 6.2890956 + 48400 2000 -0 7.5951861 7.7678302 6.2890972 + 48500 2000 -0 7.5951861 7.7678288 6.289101 + 48600 2000 -0 7.5951861 7.7678272 6.289104 + 48700 2000 -0 7.5951858 7.7678254 6.2891058 + 48800 2000 -0 7.5951858 7.7678255 6.2891126 + 48900 2000 -0 7.5951857 7.767822 6.2891123 + 49000 2000 -0 7.5951856 7.7678203 6.2891153 + 49100 2000 -0 7.5951853 7.7678184 6.2891183 + 49200 2000 -0 7.595185 7.7678166 6.289121 + 49300 2000 -0 7.5951845 7.7678149 6.2891242 + 49400 2000 -0 7.595184 7.7678133 6.2891272 + 49500 2000 -0 7.5951831 7.7678116 6.2891298 + 49600 2000 -0 7.5951822 7.7678102 6.2891328 + 49700 2000 -0 7.5951811 7.7678089 6.2891358 + 49800 2000 -0 7.5951797 7.7678076 6.2891384 + 49900 2000 -0 7.5951782 7.7678065 6.2891412 + 50000 2000 -0 7.5951765 7.7678056 6.289144 + 50100 2000 -0 7.5951746 7.7678048 6.2891464 + 50200 2000 -0 7.5951725 7.7678041 6.2891489 + 50300 2000 -0 7.5951703 7.7678035 6.2891515 + 50400 2000 -0 7.5951679 7.767803 6.2891539 + 50500 2000 -0 7.5951653 7.7678025 6.2891563 + 50600 2000 -0 7.5951627 7.7678021 6.2891588 + 50700 2000 -0 7.59516 7.7678018 6.2891612 + 50800 2000 -0 7.5951572 7.7678014 6.2891637 + 50900 2000 -0 7.5951543 7.767801 6.2891662 + 51000 2000 -0 7.5951515 7.7678035 6.2891689 + 51100 2000 -0 7.5951486 7.7678002 6.2891713 + 51200 2000 -0 7.5951459 7.7677995 6.2891739 + 51300 2000 -0 7.5951433 7.7677989 6.2891766 + 51400 2000 -0 7.5951407 7.7677982 6.2891793 + 51500 2000 -0 7.5951383 7.7677975 6.289182 + 51600 2000 -0 7.595136 7.7677966 6.2891847 + 51700 2000 -0 7.5951339 7.7677957 6.2891875 + 51800 2000 -0 7.595132 7.7677948 6.2891902 + 51900 2000 -0 7.5951305 7.7677938 6.289193 + 52000 2000 -0 7.5951299 7.7677923 6.289195 + 52100 2000 -0 7.5951278 7.7677914 6.2891981 + 52200 2000 -0 7.5951262 7.7677905 6.2892017 + 52300 2000 -0 7.5951252 7.767789 6.2892033 + 52400 2000 -0 7.5951244 7.7677876 6.2892055 + 52500 2000 -0 7.595124 7.7677865 6.2892095 + 52600 2000 -0 7.5951234 7.7677849 6.2892116 + 52700 2000 -0 7.5951229 7.7677832 6.2892135 + 52800 2000 -0 7.5951229 7.7677818 6.2892173 + 52900 2000 -0 7.5951227 7.7677801 6.28922 + 53000 2000 -0 7.5951223 7.7677783 6.289222 + 53100 2000 -0 7.5951223 7.7677766 6.2892254 + 53200 2000 -0 7.5951221 7.7677749 6.2892286 + 53300 2000 -0 7.5951218 7.7677731 6.2892308 + 53400 2000 -0 7.5951215 7.7677713 6.289234 + 53500 2000 -0 7.5951213 7.7677724 6.2892375 + 53600 2000 -0 7.5951205 7.7677678 6.2892398 + 53700 2000 -0 7.5951197 7.7677663 6.2892426 + 53800 2000 -0 7.5951189 7.7677649 6.2892459 + 53900 2000 -0 7.5951178 7.7677635 6.2892486 + 54000 2000 -0 7.5951165 7.7677622 6.289251 + 54100 2000 -0 7.5951151 7.7677611 6.289254 + 54200 2000 -0 7.5951135 7.7677602 6.2892567 + 54300 2000 -0 7.5951116 7.7677592 6.2892589 + 54400 2000 -0 7.5951095 7.7677585 6.2892615 + 54500 2000 -0 7.5951073 7.7677579 6.2892641 + 54600 2000 -0 7.5951059 7.7677573 6.2892662 + 54700 2000 -0 7.5951022 7.7677569 6.2892686 + 54800 2000 -0 7.5950995 7.7677565 6.2892711 + 54900 2000 -0 7.5950966 7.7677562 6.2892734 + 55000 2000 -0 7.5950936 7.7677558 6.2892757 + 55100 2000 -0 7.5950906 7.7677555 6.2892782 + 55200 2000 -0 7.5950876 7.7677552 6.2892806 + 55300 2000 -0 7.5950846 7.7677547 6.289283 + 55400 2000 -0 7.5950816 7.7677543 6.2892856 + 55500 2000 -0 7.5950787 7.7677538 6.2892882 + 55600 2000 -0 7.5950758 7.7677532 6.2892907 + 55700 2000 -0 7.5950731 7.7677526 6.2892934 + 55800 2000 -0 7.5950705 7.7677519 6.2892961 + 55900 2000 -0 7.5950681 7.7677511 6.2892987 + 56000 2000 -0 7.5950658 7.7677503 6.2893013 + 56100 2000 -0 7.5950637 7.7677494 6.289304 + 56200 2000 -0 7.5950636 7.7677489 6.2893069 + 56300 2000 -0 7.5950599 7.7677469 6.2893081 + 56400 2000 -0 7.5950591 7.7677461 6.2893121 + 56500 2000 -0 7.5950575 7.7677452 6.2893152 + 56600 2000 -0 7.595056 7.7677438 6.2893165 + 56700 2000 -0 7.5950551 7.7677425 6.2893191 + 56800 2000 -0 7.5950546 7.7677414 6.289323 + 56900 2000 -0 7.5950537 7.7677398 6.2893246 + 57000 2000 -0 7.5950531 7.7677383 6.2893268 + 57100 2000 -0 7.5950528 7.7677369 6.2893306 + 57200 2000 -0 7.5950524 7.7677352 6.289333 + 57300 2000 -0 7.5950519 7.7677334 6.289335 + 57400 2000 -0 7.5950517 7.7677318 6.2893386 + 57500 2000 -0 7.5950513 7.7677302 6.2893415 + 57600 2000 -0 7.5950507 7.7677283 6.2893436 + 57700 2000 -0 7.5950502 7.7677267 6.2893469 + 57800 2000 -0 7.5950496 7.7677251 6.2893501 + 57900 2000 -0 7.5950486 7.7677235 6.2893525 + 58000 2000 -0 7.5950476 7.767722 6.2893554 + 58100 2000 -0 7.5950465 7.7677207 6.2893585 + 58200 2000 -0 7.5950451 7.7677194 6.289361 + 58300 2000 -0 7.5950436 7.7677183 6.2893635 + 58400 2000 -0 7.5950421 7.7677174 6.2893664 + 58500 2000 -0 7.5950402 7.7677166 6.2893688 + 58600 2000 -0 7.5950381 7.7677158 6.289371 + 58700 2000 -0 7.595036 7.7677153 6.2893736 + 58800 2000 -0 7.5950336 7.7677148 6.289376 + 58900 2000 -0 7.595031 7.7677144 6.2893781 + 59000 2000 -0 7.5950283 7.7677141 6.2893804 + 59100 2000 -0 7.5950254 7.7677139 6.2893828 + 59200 2000 -0 7.5950225 7.7677137 6.2893849 + 59300 2000 -0 7.5950194 7.7677135 6.2893872 + 59400 2000 -0 7.5950163 7.7677134 6.2893896 + 59500 2000 -0 7.5950132 7.7677131 6.2893919 + 59600 2000 -0 7.5950101 7.7677129 6.2893942 + 59700 2000 -0 7.595007 7.7677126 6.2893968 + 59800 2000 -0 7.5950047 7.7677123 6.2893992 + 59900 2000 -0 7.5950011 7.7677118 6.2894016 + 60000 2000 -0 7.5949983 7.7677113 6.2894042 + 60100 2000 -0 7.5949956 7.7677107 6.2894068 + 60200 2000 -0 7.5949931 7.7677101 6.2894093 + 60300 2000 -0 7.5949908 7.7677094 6.2894119 + 60400 2000 -0 7.5949886 7.7677087 6.2894145 + 60500 2000 -0 7.5949893 7.7677082 6.2894169 + 60600 2000 -0 7.5949834 7.7677067 6.2894183 + 60700 2000 -0 7.5949837 7.7677058 6.2894226 + 60800 2000 -0 7.5949821 7.767705 6.2894252 + 60900 2000 -0 7.5949805 7.7677038 6.2894264 + 61000 2000 -0 7.5949795 7.7677026 6.2894293 + 61100 2000 -0 7.5949789 7.7677016 6.2894329 + 61200 2000 -0 7.5949779 7.7677001 6.2894343 + 61300 2000 -0 7.5949772 7.7676987 6.2894368 + 61400 2000 -0 7.5949768 7.7676974 6.2894404 + 61500 2000 -0 7.5949762 7.7676959 6.2894425 + 61600 2000 -0 7.5949757 7.7676942 6.2894446 + 61700 2000 -0 7.5949753 7.7676928 6.2894483 + 61800 2000 -0 7.5949748 7.7676912 6.2894509 + 61900 2000 -0 7.5949741 7.7676895 6.289453 + 62000 2000 -0 7.5949735 7.767688 6.2894564 + 62100 2000 -0 7.5949727 7.7676865 6.2894593 + 62200 2000 -0 7.5949717 7.767685 6.2894616 + 62300 2000 -0 7.5949706 7.7676836 6.2894646 + 62400 2000 -0 7.5949694 7.7676824 6.2894676 + 62500 2000 -0 7.5949679 7.7676812 6.2894699 + 62600 2000 -0 7.5949663 7.7676801 6.2894725 + 62700 2000 -0 7.5949645 7.7676792 6.2894754 + 62800 2000 -0 7.5949624 7.7676785 6.2894777 + 62900 2000 -0 7.5949602 7.7676778 6.2894799 + 63000 2000 -0 7.5949578 7.7676773 6.2894825 + 63100 2000 -0 7.5949553 7.7676769 6.2894848 + 63200 2000 -0 7.5949525 7.7676765 6.2894868 + 63300 2000 -0 7.5949496 7.7676763 6.2894892 + 63400 2000 -0 7.5949466 7.7676761 6.2894915 + 63500 2000 -0 7.5949435 7.7676759 6.2894935 + 63600 2000 -0 7.5949404 7.7676757 6.2894957 + 63700 2000 -0 7.5949373 7.7676755 6.2894981 + 63800 2000 -0 7.5949341 7.7676752 6.2895003 + 63900 2000 -0 7.594931 7.7676749 6.2895025 + 64000 2000 -0 7.5949281 7.7676746 6.289505 + 64100 2000 -0 7.5949249 7.7676742 6.2895073 + 64200 2000 -0 7.5949219 7.7676737 6.2895097 + 64300 2000 -0 7.5949191 7.7676731 6.2895122 + 64400 2000 -0 7.5949165 7.7676725 6.2895147 + 64500 2000 -0 7.594914 7.7676718 6.2895171 + 64600 2000 -0 7.5949116 7.7676711 6.2895196 + 64700 2000 -0 7.5949095 7.7676702 6.2895221 + 64800 2000 -0 7.5949105 7.7676688 6.2895247 + 64900 2000 -0 7.5949039 7.767668 6.2895261 + 65000 2000 -0 7.5949041 7.7676665 6.2895306 + 65100 2000 -0 7.5949026 7.7676653 6.2895328 + 65200 2000 -0 7.5949005 7.7676632 6.2895342 + 65300 2000 -0 7.5948956 7.7676549 6.2895391 + 65400 2000 -0 7.5948925 7.7676486 6.2895389 + 65500 2000 -0 7.5948924 7.7676487 6.2895397 + 65600 2000 -0 7.5948923 7.767647 6.289549 + 65700 2000 -0 7.5948909 7.7676452 6.2895471 + 65800 2000 -0 7.5948899 7.7676429 6.289548 + 65900 2000 -0 7.5948899 7.7676418 6.2895556 + 66000 2000 -0 7.5948891 7.7676399 6.2895571 + 66100 2000 -0 7.5948876 7.7676375 6.2895567 + 66200 2000 -0 7.5948874 7.7676361 6.2895627 + 66300 2000 -0 7.5948866 7.7676344 6.2895663 + 66400 2000 -0 7.5948851 7.7676323 6.2895661 + 66500 2000 -0 7.5948842 7.7676308 6.2895704 + 66600 2000 -0 7.5948833 7.7676295 6.2895749 + 66700 2000 -0 7.5948815 7.7676277 6.2895755 + 66800 2000 -0 7.5948799 7.7676263 6.2895782 + 66900 2000 -0 7.5948784 7.7676253 6.2895826 + 67000 2000 -0 7.5948762 7.7676241 6.2895841 + 67100 2000 -0 7.5948739 7.767623 6.2895858 + 67200 2000 -0 7.5948718 7.7676223 6.2895898 + 67300 2000 -0 7.5948692 7.7676216 6.289592 + 67400 2000 -0 7.5948662 7.7676208 6.2895932 + 67500 2000 -0 7.5948635 7.7676203 6.2895964 + 67600 2000 -0 7.5948605 7.7676199 6.2895991 + 67700 2000 -0 7.5948572 7.7676193 6.2896004 + 67800 2000 -0 7.594854 7.767619 6.289603 + 67900 2000 -0 7.5948508 7.7676187 6.2896061 + 68000 2000 -0 7.5948473 7.7676182 6.2896078 + 68100 2000 -0 7.5948438 7.7676178 6.28961 + 68200 2000 -0 7.5948406 7.7676174 6.2896131 + 68300 2000 -0 7.5948372 7.7676168 6.2896153 + 68400 2000 -0 7.5948339 7.7676161 6.2896175 + 68500 2000 -0 7.5948308 7.7676156 6.2896206 + 68600 2000 -0 7.5948278 7.7676148 6.2896232 + 68700 2000 -0 7.5948248 7.767614 6.2896254 + 68800 2000 -0 7.5948221 7.7676131 6.2896283 + 68900 2000 -0 7.5948196 7.7676122 6.2896311 + 69000 2000 -0 7.5948172 7.7676111 6.2896334 + 69100 2000 -0 7.5948182 7.7676099 6.2896363 + 69200 2000 -0 7.5948122 7.7676096 6.2896377 + 69300 2000 -0 7.594811 7.7676081 6.2896421 + 69400 2000 -0 7.5948092 7.767607 6.2896441 + 69500 2000 -0 7.5948073 7.7676059 6.2896459 + 69600 2000 -0 7.5948058 7.7676043 6.2896498 + 69700 2000 -0 7.5948044 7.7676026 6.2896529 + 69800 2000 -0 7.5948029 7.7676005 6.2896547 + 69900 2000 -0 7.5948018 7.7675987 6.2896584 + 70000 2000 -0 7.5948007 7.7675967 6.2896619 + 70100 2000 -0 7.5947995 7.7675945 6.2896642 + 70200 2000 -0 7.5947984 7.7675924 6.2896674 + 70300 2000 -0 7.5947974 7.7675903 6.2896713 + 70400 2000 -0 7.5947962 7.7675881 6.2896739 + 70500 2000 -0 7.594795 7.7675859 6.289677 + 70600 2000 -0 7.5947937 7.7675838 6.2896808 + 70700 2000 -0 7.5947922 7.7675817 6.2896838 + 70800 2000 -0 7.5947906 7.7675796 6.2896868 + 70900 2000 -0 7.5947889 7.7675777 6.2896903 + 71000 2000 -0 7.594787 7.7675758 6.2896935 + 71100 2000 -0 7.5947848 7.7675741 6.2896963 + 71200 2000 -0 7.5947826 7.7675725 6.2896995 + 71300 2000 -0 7.5947801 7.767571 6.2897026 + 71400 2000 -0 7.5947774 7.7675697 6.2897053 + 71500 2000 -0 7.5947745 7.7675684 6.2897081 + 71600 2000 -0 7.5947715 7.7675673 6.2897111 + 71700 2000 -0 7.5947683 7.7675663 6.2897137 + 71800 2000 -0 7.5947648 7.7675654 6.2897162 + 71900 2000 -0 7.5947613 7.7675645 6.2897191 + 72000 2000 -0 7.5947575 7.7675638 6.2897217 + 72100 2000 -0 7.5947535 7.7675631 6.2897242 + 72200 2000 -0 7.5947494 7.7675625 6.289727 + 72300 2000 -0 7.5947453 7.7675618 6.2897298 + 72400 2000 -0 7.594741 7.7675611 6.2897324 + 72500 2000 -0 7.5947368 7.7675604 6.2897352 + 72600 2000 -0 7.5947325 7.7675597 6.2897381 + 72700 2000 -0 7.5947283 7.7675588 6.2897408 + 72800 2000 -0 7.5947242 7.7675578 6.2897437 + 72900 2000 -0 7.5947201 7.7675568 6.2897466 + 73000 2000 -0 7.5947162 7.7675557 6.2897494 + 73100 2000 -0 7.5947122 7.7675546 6.2897523 + 73200 2000 -0 7.5947083 7.7675536 6.2897553 + 73300 2000 -0 7.5947045 7.7675525 6.2897583 + 73400 2000 -0 7.5947035 7.7675515 6.2897613 + 73500 2000 -0 7.5946973 7.767551 6.2897633 + 73600 2000 -0 7.5946939 7.7675499 6.2897681 + 73700 2000 -0 7.5946909 7.7675487 6.2897703 + 73800 2000 -0 7.5946877 7.7675475 6.2897725 + 73900 2000 -0 7.5946849 7.7675465 6.2897768 + 74000 2000 -0 7.5946821 7.7675453 6.2897798 + 74100 2000 -0 7.5946792 7.7675439 6.2897817 + 74200 2000 -0 7.5946768 7.7675427 6.2897857 + 74300 2000 -0 7.5946742 7.7675414 6.2897892 + 74400 2000 -0 7.5946714 7.7675399 6.2897916 + 74500 2000 -0 7.5946688 7.7675385 6.2897951 + 74600 2000 -0 7.5946662 7.7675371 6.2897992 + 74700 2000 -0 7.5946634 7.7675355 6.2898019 + 74800 2000 -0 7.5946605 7.7675341 6.2898052 + 74900 2000 -0 7.5946577 7.7675328 6.2898092 + 75000 2000 -0 7.5946545 7.7675314 6.2898123 + 75100 2000 -0 7.5946512 7.76753 6.2898154 + 75200 2000 -0 7.5946478 7.7675289 6.2898193 + 75300 2000 -0 7.5946442 7.7675278 6.2898225 + 75400 2000 -0 7.5946403 7.7675268 6.2898255 + 75500 2000 -0 7.5946363 7.767526 6.2898289 + 75600 2000 -0 7.5946321 7.7675253 6.2898322 + 75700 2000 -0 7.5946277 7.7675247 6.2898349 + 75800 2000 -0 7.594623 7.7675243 6.2898379 + 75900 2000 -0 7.5946182 7.767524 6.289841 + 76000 2000 -0 7.5946184 7.7675222 6.2898477 + 76100 2000 -0 7.5946168 7.7675198 6.2898534 + 76200 2000 -0 7.5946059 7.7675208 6.2898537 + 76300 2000 -0 7.5945934 7.7675229 6.2898545 + 76400 2000 -0 7.5945858 7.7675222 6.2898578 + 76500 2000 -0 7.594578 7.7675215 6.2898604 + 76600 2000 -0 7.5945704 7.767521 6.289865 + 76700 2000 -0 7.5945627 7.7675205 6.2898692 + 76800 2000 -0 7.5945548 7.7675198 6.2898721 + 76900 2000 -0 7.5945472 7.7675191 6.2898763 + 77000 2000 -0 7.5945397 7.7675184 6.2898809 + 77100 2000 -0 7.5945321 7.7675175 6.2898842 + 77200 2000 -0 7.5945247 7.7675166 6.289888 + 77300 2000 -0 7.5945177 7.7675156 6.2898926 + 77400 2000 -0 7.5945106 7.7675145 6.2898964 + 77500 2000 -0 7.5945037 7.7675133 6.2899 + 77600 2000 -0 7.5944972 7.7675122 6.2899045 + 77700 2000 -0 7.5944924 7.7675106 6.2899081 + 77800 2000 -0 7.5944847 7.7675094 6.2899116 + 77900 2000 -0 7.5944783 7.7675083 6.2899171 + 78000 2000 -0 7.5944725 7.7675065 6.2899202 + 78100 2000 -0 7.5944668 7.7675048 6.2899232 + 78200 2000 -0 7.5944616 7.7675034 6.2899286 + 78300 2000 -0 7.5944563 7.7675016 6.2899324 + 78400 2000 -0 7.5944509 7.7674996 6.2899353 + 78500 2000 -0 7.594446 7.7674978 6.2899402 + 78600 2000 -0 7.5944411 7.7674959 6.2899446 + 78700 2000 -0 7.594436 7.7674938 6.2899477 + 78800 2000 -0 7.5944312 7.7674918 6.2899523 + 78900 2000 -0 7.5944263 7.7674898 6.2899571 + 79000 2000 -0 7.5944211 7.7674876 6.2899606 + 79100 2000 -0 7.594416 7.7674855 6.2899649 + 79200 2000 -0 7.5944109 7.7674835 6.2899697 + 79300 2000 -0 7.5944055 7.7674815 6.2899736 + 79400 2000 -0 7.5944 7.7674795 6.2899776 + 79500 2000 -0 7.5943944 7.7674777 6.2899823 + 79600 2000 -0 7.5943887 7.767476 6.2899864 + 79700 2000 -0 7.5943826 7.7674743 6.2899902 + 79800 2000 -0 7.5943766 7.7674728 6.2899944 + 79900 2000 -0 7.5943703 7.7674715 6.2899985 + 80000 2000 -0 7.5943639 7.7674702 6.2900021 + 80100 2000 -0 7.5943573 7.7674691 6.290006 + 80200 2000 -0 7.5943506 7.7674681 6.2900099 + 80300 2000 -0 7.5943437 7.7674671 6.2900134 + 80400 2000 -0 7.5943367 7.7674662 6.2900171 + 80500 2000 -0 7.5943296 7.7674655 6.2900209 + 80600 2000 -0 7.5943224 7.7674647 6.2900245 + 80700 2000 -0 7.5943151 7.7674639 6.2900281 + 80800 2000 -0 7.5943077 7.7674632 6.290032 + 80900 2000 -0 7.5943001 7.7674623 6.290036 + 81000 2000 -0 7.5942925 7.7674614 6.2900398 + 81100 2000 -0 7.594285 7.7674604 6.2900439 + 81200 2000 -0 7.5942776 7.7674594 6.290048 + 81300 2000 -0 7.5942702 7.7674582 6.290052 + 81400 2000 -0 7.594263 7.767457 6.2900562 + 81500 2000 -0 7.594256 7.7674558 6.2900604 + 81600 2000 -0 7.5942491 7.7674544 6.2900645 + 81700 2000 -0 7.5942424 7.767453 6.2900686 + 81800 2000 -0 7.5942359 7.7674515 6.2900729 + 81900 2000 -0 7.5942312 7.7674504 6.2900799 + 82000 2000 -0 7.5942237 7.7674478 6.29008 + 82100 2000 -0 7.5942182 7.7674465 6.2900859 + 82200 2000 -0 7.5942121 7.767445 6.2900901 + 82300 2000 -0 7.5942063 7.7674429 6.2900926 + 82400 2000 -0 7.5942013 7.7674409 6.2900972 + 82500 2000 -0 7.5941965 7.7674392 6.2901025 + 82600 2000 -0 7.5941914 7.7674369 6.2901052 + 82700 2000 -0 7.5941866 7.7674347 6.2901091 + 82800 2000 -0 7.5941822 7.7674326 6.2901146 + 82900 2000 -0 7.5941776 7.7674302 6.2901181 + 83000 2000 -0 7.5941729 7.7674277 6.2901216 + 83100 2000 -0 7.5941686 7.7674254 6.2901269 + 83200 2000 -0 7.5941641 7.767423 6.2901311 + 83300 2000 -0 7.5941594 7.7674205 6.2901346 + 83400 2000 -0 7.5941549 7.7674181 6.2901396 + 83500 2000 -0 7.5941502 7.7674158 6.2901442 + 83600 2000 -0 7.5941452 7.7674133 6.2901479 + 83700 2000 -0 7.5941402 7.7674111 6.2901524 + 83800 2000 -0 7.5941351 7.7674089 6.2901572 + 83900 2000 -0 7.5941297 7.7674068 6.290161 + 84000 2000 -0 7.5941242 7.7674048 6.290165 + 84100 2000 -0 7.5941186 7.767403 6.2901696 + 84200 2000 -0 7.5941126 7.7674013 6.2901734 + 84300 2000 -0 7.5941065 7.7673997 6.2901771 + 84400 2000 -0 7.5941003 7.7673983 6.2901814 + 84500 2000 -0 7.5940939 7.767397 6.2901852 + 84600 2000 -0 7.5940872 7.7673957 6.2901888 + 84700 2000 -0 7.5940805 7.7673944 6.2901928 + 84800 2000 -0 7.5940737 7.7673931 6.2901967 + 84900 2000 -0 7.5940667 7.7673918 6.2902004 + 85000 2000 -0 7.5940597 7.7673906 6.2902042 + 85100 2000 -0 7.5940526 7.7673893 6.2902083 + 85200 2000 -0 7.5940454 7.767388 6.2902121 + 85300 2000 -0 7.5940382 7.7673867 6.290216 + 85400 2000 -0 7.5940312 7.7673853 6.2902202 + 85500 2000 -0 7.5940241 7.7673839 6.2902243 + 85600 2000 -0 7.5940172 7.7673823 6.2902282 + 85700 2000 -0 7.5940104 7.7673808 6.2902325 + 85800 2000 -0 7.5940037 7.7673791 6.2902367 + 85900 2000 -0 7.5939971 7.7673773 6.2902409 + 86000 2000 -0 7.5939906 7.7673755 6.2902452 + 86100 2000 -0 7.5939844 7.7673736 6.2902496 + 86200 2000 -0 7.5939805 7.7673722 6.2902539 + 86300 2000 -0 7.5939717 7.7673693 6.2902569 + 86400 2000 -0 7.5939672 7.7673674 6.2902627 + 86500 2000 -0 7.5939615 7.7673655 6.2902672 + 86600 2000 -0 7.5939558 7.7673632 6.2902702 + 86700 2000 -0 7.5939508 7.7673608 6.2902746 + 86800 2000 -0 7.5939461 7.7673587 6.2902801 + 86900 2000 -0 7.5939411 7.7673561 6.2902832 + 87000 2000 -0 7.5939363 7.7673536 6.2902873 + 87100 2000 -0 7.5939319 7.7673513 6.2902927 + 87200 2000 -0 7.5939273 7.7673486 6.2902967 + 87300 2000 -0 7.5939223 7.7673461 6.2903004 + 87400 2000 -0 7.5939183 7.7673434 6.2903057 + 87500 2000 -0 7.5939138 7.7673407 6.2903103 + 87600 2000 -0 7.5939091 7.7673378 6.2903141 + 87700 2000 -0 7.5939045 7.7673352 6.2903191 + 87800 2000 -0 7.5938997 7.7673326 6.290324 + 87900 2000 -0 7.5938947 7.76733 6.2903281 + 88000 2000 -0 7.5938896 7.7673275 6.2903326 + 88100 2000 -0 7.5938843 7.7673252 6.2903375 + 88200 2000 -0 7.5938785 7.767323 6.2903417 + 88300 2000 -0 7.5938726 7.767321 6.2903459 + 88400 2000 -0 7.5938666 7.7673191 6.2903505 + 88500 2000 -0 7.5938603 7.7673174 6.2903546 + 88600 2000 -0 7.5938538 7.7673157 6.2903585 + 88700 2000 -0 7.5938471 7.7673142 6.2903628 + 88800 2000 -0 7.5938403 7.7673128 6.290367 + 88900 2000 -0 7.5938333 7.7673115 6.2903707 + 89000 2000 -0 7.5938261 7.7673103 6.2903748 + 89100 2000 -0 7.5938189 7.7673091 6.2903789 + 89200 2000 -0 7.5938115 7.7673079 6.2903827 + 89300 2000 -0 7.593804 7.7673068 6.2903867 + 89400 2000 -0 7.5937967 7.7673056 6.2903909 + 89500 2000 -0 7.5937891 7.7673045 6.290395 + 89600 2000 -0 7.5937814 7.7673033 6.2903989 + 89700 2000 -0 7.593774 7.7673021 6.2904033 + 89800 2000 -0 7.5937665 7.7673008 6.2904075 + 89900 2000 -0 7.5937592 7.7672994 6.2904116 + 90000 2000 -0 7.593752 7.7672979 6.2904159 + 90100 2000 -0 7.5937449 7.7672964 6.2904203 + 90200 2000 -0 7.593738 7.7672948 6.2904245 + 90300 2000 -0 7.5937313 7.7672931 6.2904288 + 90400 2000 -0 7.5937247 7.7672914 6.2904332 + 90500 2000 -0 7.5937212 7.7672898 6.2904372 + 90600 2000 -0 7.5937109 7.7672874 6.2904407 + 90700 2000 -0 7.5937069 7.7672852 6.2904466 + 90800 2000 -0 7.5937012 7.7672832 6.2904508 + 90900 2000 -0 7.5936954 7.7672808 6.2904539 + 91000 2000 -0 7.5936902 7.7672783 6.2904586 + 91100 2000 -0 7.5936853 7.7672761 6.2904639 + 91200 2000 -0 7.5936801 7.7672734 6.290467 + 91300 2000 -0 7.5936753 7.7672708 6.2904714 + 91400 2000 -0 7.5936707 7.7672683 6.2904767 + 91500 2000 -0 7.5936659 7.7672655 6.2904805 + 91600 2000 -0 7.5936611 7.7672627 6.2904845 + 91700 2000 -0 7.5936566 7.76726 6.2904899 + 91800 2000 -0 7.5936518 7.7672571 6.2904943 + 91900 2000 -0 7.5936469 7.7672543 6.2904983 + 92000 2000 -0 7.5936421 7.7672515 6.2905034 + 92100 2000 -0 7.5936371 7.7672488 6.2905081 + 92200 2000 -0 7.5936318 7.7672461 6.2905122 + 92300 2000 -0 7.5936265 7.7672435 6.290517 + 92400 2000 -0 7.5936211 7.767241 6.2905217 + 92500 2000 -0 7.5936154 7.7672386 6.2905258 + 92600 2000 -0 7.5936095 7.7672363 6.2905302 + 92700 2000 -0 7.5936035 7.7672343 6.2905348 + 92800 2000 -0 7.5935971 7.7672324 6.2905388 + 92900 2000 -0 7.5935906 7.7672307 6.2905428 + 93000 2000 -0 7.5935838 7.7672293 6.2905471 + 93100 2000 -0 7.5935769 7.7672279 6.2905511 + 93200 2000 -0 7.5935698 7.7672265 6.2905549 + 93300 2000 -0 7.5935625 7.7672254 6.290559 + 93400 2000 -0 7.5935551 7.7672242 6.290563 + 93500 2000 -0 7.5935476 7.7672231 6.2905668 + 93600 2000 -0 7.5935401 7.7672219 6.2905708 + 93700 2000 -0 7.5935325 7.7672208 6.290575 + 93800 2000 -0 7.5935248 7.7672196 6.2905789 + 93900 2000 -0 7.5935172 7.7672184 6.290583 + 94000 2000 -0 7.5935097 7.767217 6.2905873 + 94100 2000 -0 7.5935023 7.7672156 6.2905915 + 94200 2000 -0 7.593495 7.767214 6.2905957 + 94300 2000 -0 7.5934878 7.7672123 6.2906 + 94400 2000 -0 7.5934808 7.7672106 6.2906044 + 94500 2000 -0 7.593474 7.7672087 6.2906086 + 94600 2000 -0 7.5934675 7.7672069 6.290613 + 94700 2000 -0 7.5934609 7.7672048 6.2906173 + 94800 2000 -0 7.5934577 7.7672024 6.2906217 + 94900 2000 -0 7.5934471 7.767201 6.2906246 + 95000 2000 -0 7.5934428 7.7671984 6.2906309 + 95100 2000 -0 7.5934372 7.7671962 6.2906347 + 95200 2000 -0 7.5934313 7.7671938 6.2906378 + 95300 2000 -0 7.5934261 7.7671914 6.290643 + 95400 2000 -0 7.5934211 7.7671891 6.2906478 + 95500 2000 -0 7.5934157 7.7671863 6.2906508 + 95600 2000 -0 7.5934109 7.7671838 6.2906556 + 95700 2000 -0 7.5934061 7.7671813 6.2906607 + 95800 2000 -0 7.5934012 7.7671785 6.2906643 + 95900 2000 -0 7.5933963 7.7671757 6.2906686 + 96000 2000 -0 7.5933917 7.767173 6.2906739 + 96100 2000 -0 7.5933867 7.7671702 6.290678 + 96200 2000 -0 7.5933817 7.7671673 6.2906822 + 96300 2000 -0 7.5933768 7.7671646 6.2906873 + 96400 2000 -0 7.5933716 7.7671619 6.2906918 + 96500 2000 -0 7.5933663 7.7671592 6.2906959 + 96600 2000 -0 7.5933609 7.7671567 6.2907008 + 96700 2000 -0 7.5933553 7.7671542 6.2907054 + 96800 2000 -0 7.5933494 7.7671518 6.2907095 + 96900 2000 -0 7.5933434 7.7671496 6.2907139 + 97000 2000 -0 7.5933372 7.7671476 6.2907184 + 97100 2000 -0 7.5933308 7.7671456 6.2907224 + 97200 2000 -0 7.5933242 7.7671437 6.2907265 + 97300 2000 -0 7.5933174 7.7671421 6.2907308 + 97400 2000 -0 7.5933105 7.7671404 6.2907348 + 97500 2000 -0 7.5933033 7.7671389 6.2907386 + 97600 2000 -0 7.5932961 7.7671375 6.2907428 + 97700 2000 -0 7.5932888 7.7671359 6.2907468 + 97800 2000 -0 7.5932813 7.7671343 6.2907507 + 97900 2000 -0 7.5932739 7.7671327 6.2907548 + 98000 2000 -0 7.5932664 7.7671312 6.290759 + 98100 2000 -0 7.5932588 7.7671296 6.290763 + 98200 2000 -0 7.5932513 7.7671279 6.2907672 + 98300 2000 -0 7.5932438 7.7671262 6.2907715 + 98400 2000 -0 7.5932364 7.7671245 6.2907757 + 98500 2000 -0 7.5932291 7.7671226 6.2907799 + 98600 2000 -0 7.5932219 7.7671208 6.2907843 + 98700 2000 -0 7.5932149 7.7671188 6.2907886 + 98800 2000 -0 7.593208 7.7671167 6.2907928 + 98900 2000 -0 7.5932013 7.7671147 6.2907972 + 99000 2000 -0 7.5931948 7.7671125 6.2908015 + 99100 2000 -0 7.5931916 7.7671102 6.2908061 + 99200 2000 -0 7.5931818 7.7671085 6.2908089 + 99300 2000 -0 7.5931764 7.7671057 6.2908152 + 99400 2000 -0 7.5931708 7.7671032 6.2908188 + 99500 2000 -0 7.593165 7.7671007 6.290822 + 99600 2000 -0 7.5931598 7.7670982 6.2908274 + 99700 2000 -0 7.5931546 7.7670957 6.2908319 + 99800 2000 -0 7.5931492 7.7670928 6.2908349 + 99900 2000 -0 7.5931443 7.7670902 6.29084 + 100000 2000 -0 7.5931395 7.7670875 6.2908449 +Loop time of 28.4684 on 4 procs for 100000 steps with 2000 atoms + +Performance: 303494.659 tau/day, 3512.670 timesteps/s, 7.025 Matom-step/s +96.7% CPU use with 4 MPI tasks x no OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 14.471 | 15.426 | 16.874 | 24.3 | 54.19 +Neigh | 0.50185 | 0.52867 | 0.55379 | 3.1 | 1.86 +Comm | 5.277 | 6.8933 | 7.8956 | 40.4 | 24.21 +Output | 0.019683 | 0.022775 | 0.031664 | 3.4 | 0.08 +Modify | 4.7145 | 4.8537 | 5.0111 | 6.1 | 17.05 +Other | | 0.7439 | | | 2.61 + +Nlocal: 500 ave 504 max 496 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Nghost: 545.75 ave 553 max 538 min +Histogram: 1 0 0 0 1 0 1 0 0 1 +Neighs: 2409.75 ave 2523 max 2343 min +Histogram: 1 1 0 1 0 0 0 0 0 1 + +Total # of neighbors = 9639 +Ave neighs/atom = 4.8195 +Neighbor list builds = 3151 +Dangerous builds = 0 + +Total wall time: 0:00:28 diff --git a/examples/granular/log.29Oct20.pour.drum.g++.1 b/examples/granular/log.29Oct20.pour.drum.g++.1 deleted file mode 100644 index 8c4b828488..0000000000 --- a/examples/granular/log.29Oct20.pour.drum.g++.1 +++ /dev/null @@ -1,271 +0,0 @@ -LAMMPS (29 Oct 2020) - using 1 OpenMP thread(s) per MPI task -# pour two types of particles (cohesive and non-cohesive) into cylinder -# 'turn' cylinder by changing direction of gravity, then rotate it. -# This simulates a rotating drum powder characterization experiment. - -variable name string rotating_drum_two_types - -atom_style sphere -units lj - -############################################### -# Geometry-related parameters -############################################### - -variable boxx equal 30 -variable boxy equal 30 -variable boxz equal 50 - -variable drum_rad equal ${boxx}*0.5 -variable drum_rad equal 30*0.5 -variable drum_height equal 20 - -variable xc equal 0.5*${boxx} -variable xc equal 0.5*30 -variable yc equal 0.5*${boxx} -variable yc equal 0.5*30 -variable zc equal 0.5*${boxz} -variable zc equal 0.5*50 - -############################################### -# Particle-related parameters -############################################### -variable rlo equal 0.25 -variable rhi equal 0.5 -variable dlo equal 2.0*${rlo} -variable dlo equal 2.0*0.25 -variable dhi equal 2.0*${rhi} -variable dhi equal 2.0*0.5 - -variable cyl_rad_inner equal ${drum_rad}-1.1*${rhi} -variable cyl_rad_inner equal 15-1.1*${rhi} -variable cyl_rad_inner equal 15-1.1*0.5 - -variable dens equal 1.0 - -variable skin equal 0.4*${rhi} -variable skin equal 0.4*0.5 - -############# -processors * * 1 -region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz} -region boxreg block 0 30 0 ${boxy} 0 ${boxz} -region boxreg block 0 30 0 30 0 ${boxz} -region boxreg block 0 30 0 30 0 50 -create_box 2 boxreg -Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (30.000000 30.000000 50.000000) - 1 by 1 by 1 MPI processor grid -change_box all boundary p p f -Changing box ... - -pair_style granular -pair_coeff 1 * hertz/material 1e5 0.2 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji -pair_coeff 2 2 jkr 1e5 0.1 0.3 50 tangential mindlin NULL 1.0 0.5 rolling sds 1e3 1e3 0.1 twisting marshall damping tsuji - -variable theta equal 0 - -region curved_wall cylinder z ${xc} ${yc} ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region curved_wall cylinder z 15 ${yc} ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region curved_wall cylinder z 15 15 ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region curved_wall cylinder z 15 15 15 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta 15 ${yc} 0 0 0 1 -region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta 15 15 0 0 0 1 -region bottom_wall plane ${xc} ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region bottom_wall plane 15 ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta 15 ${yc} 0 0 0 1 -region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta 15 15 0 0 0 1 - -region insreg cylinder z ${xc} ${yc} ${cyl_rad_inner} ${drum_height} ${boxz} -region insreg cylinder z 15 ${yc} ${cyl_rad_inner} ${drum_height} ${boxz} -region insreg cylinder z 15 15 ${cyl_rad_inner} ${drum_height} ${boxz} -region insreg cylinder z 15 15 14.45 ${drum_height} ${boxz} -region insreg cylinder z 15 15 14.45 20 ${boxz} -region insreg cylinder z 15 15 14.45 20 50 - -fix 0 all balance 100 1.0 shift xy 5 1.1 -fix 1 all nve/sphere -fix grav all gravity 10 vector 0 0 -1 -fix ins1 all pour 2000 1 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens} -fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens} -fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens ${dens} ${dens} -fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 ${dens} -fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 1 -Particle insertion: 9396 every 490 steps, 2000 by step 1 -fix ins2 all pour 2000 2 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens} -fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens} -fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens ${dens} ${dens} -fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 ${dens} -fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 1 -Particle insertion: 9396 every 490 steps, 2000 by step 1 - -comm_modify vel yes - -neighbor ${skin} bin -neighbor 0.2 bin -neigh_modify delay 0 every 1 check yes - -fix 3 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall -fix 4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region bottom_wall - -thermo_style custom step atoms ke v_theta -thermo_modify lost warn -thermo 100 - -timestep 0.001 - -#dump 1 all custom 100 ${name}.dump id type radius mass x y z - -#For removal later -compute 1 all property/atom radius -variable zmax atom z+c_1>0.5*${drum_height} -variable zmax atom z+c_1>0.5*20 -group delgroup dynamic all var zmax every 10000 -dynamic group delgroup defined - -run 2000 -Neighbor list info ... - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 1.2 - ghost atom cutoff = 1.2 - binsize = 0.6, bins = 50 50 84 - 1 neighbor lists, perpetual/occasional/extra = 1 0 0 - (1) pair granular, perpetual - attributes: half, newton on, size, history - pair build: half/size/bin/newton - stencil: half/bin/3d/newton - bin: standard -Per MPI rank memory allocation (min/avg/max) = 13.03 | 13.03 | 13.03 Mbytes -Step Atoms KinEng v_theta - 0 0 -0 0 - 100 4000 -0 0 - 200 4000 -0 0 - 300 4000 -0 0 - 400 4000 -0 0 - 500 4000 -0 0 - 600 4000 -0 0 - 700 4000 -0 0 - 800 4000 -0 0 - 900 4000 -0 0 - 1000 4000 -0 0 - 1100 4000 -0 0 - 1200 4000 -0 0 - 1300 4000 -0 0 - 1400 4000 -0 0 - 1500 4000 -0 0 - 1600 4000 -0 0 - 1700 4000 -0 0 - 1800 4000 -0 0 - 1900 4000 -0 0 - 2000 4000 -0 0 -Loop time of 10.5178 on 1 procs for 2000 steps with 4000 atoms - -Performance: 16429.309 tau/day, 190.154 timesteps/s -99.8% CPU use with 1 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 1.0701 | 1.0701 | 1.0701 | 0.0 | 10.17 -Neigh | 4.2135 | 4.2135 | 4.2135 | 0.0 | 40.06 -Comm | 0.38276 | 0.38276 | 0.38276 | 0.0 | 3.64 -Output | 0.0013647 | 0.0013647 | 0.0013647 | 0.0 | 0.01 -Modify | 4.7076 | 4.7076 | 4.7076 | 0.0 | 44.76 -Other | | 0.1424 | | | 1.35 - -Nlocal: 4000.00 ave 4000 max 4000 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 171.000 ave 171 max 171 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 8093.00 ave 8093 max 8093 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 8093 -Ave neighs/atom = 2.0232500 -Neighbor list builds = 1004 -Dangerous builds = 4 - -#Remove any particles that are above z > 0.5*drum_height -delete_atoms group delgroup -Deleted 0 atoms, new total = 4000 - -#Add top lid -region top_wall plane ${xc} ${yc} ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region top_wall plane 15 ${yc} ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region top_wall plane 15 15 ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta 15 ${yc} 0 0 0 1 -region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta 15 15 0 0 0 1 -fix 5 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region top_wall - -# 'Turn' drum by switching the direction of gravity -unfix grav -unfix ins1 -unfix ins2 -fix grav all gravity 10 vector 0 -1 0 - -variable theta equal 2*PI*elapsed/20000.0 -run 3000 -Per MPI rank memory allocation (min/avg/max) = 19.37 | 19.37 | 19.37 Mbytes -Step Atoms KinEng v_theta - 2000 4000 65.647582 0 - 2100 4000 105.60001 0.031415927 - 2200 4000 112.27573 0.062831853 - 2300 4000 92.758671 0.09424778 - 2400 4000 88.925835 0.12566371 - 2500 4000 81.369163 0.15707963 - 2600 4000 32.046943 0.18849556 - 2700 4000 4.1926368 0.21991149 - 2800 4000 3.9933453 0.25132741 - 2900 4000 4.5062193 0.28274334 - 3000 4000 5.3409521 0.31415927 - 3100 4000 6.0165991 0.34557519 - 3200 4000 6.606767 0.37699112 - 3300 4000 7.3997751 0.40840704 - 3400 4000 8.1098807 0.43982297 - 3500 4000 8.6552424 0.4712389 - 3600 4000 9.8445204 0.50265482 - 3700 4000 10.098753 0.53407075 - 3800 4000 10.039489 0.56548668 - 3900 4000 9.6376278 0.5969026 - 4000 4000 9.2598836 0.62831853 - 4100 4000 8.7116037 0.65973446 - 4200 4000 8.1274117 0.69115038 - 4300 4000 7.1487627 0.72256631 - 4400 4000 6.2253778 0.75398224 - 4500 4000 5.3061398 0.78539816 - 4600 4000 4.4319316 0.81681409 - 4700 4000 4.205607 0.84823002 - 4800 4000 3.2112987 0.87964594 - 4900 4000 2.6449777 0.91106187 - 5000 4000 2.3475497 0.9424778 -Loop time of 32.4926 on 1 procs for 3000 steps with 4000 atoms - -Performance: 7977.205 tau/day, 92.329 timesteps/s -99.9% CPU use with 1 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 8.0124 | 8.0124 | 8.0124 | 0.0 | 24.66 -Neigh | 10.993 | 10.993 | 10.993 | 0.0 | 33.83 -Comm | 0.86697 | 0.86697 | 0.86697 | 0.0 | 2.67 -Output | 0.0021827 | 0.0021827 | 0.0021827 | 0.0 | 0.01 -Modify | 12.367 | 12.367 | 12.367 | 0.0 | 38.06 -Other | | 0.2515 | | | 0.77 - -Nlocal: 4000.00 ave 4000 max 4000 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 318.000 ave 318 max 318 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 14807.0 ave 14807 max 14807 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 14807 -Ave neighs/atom = 3.7017500 -Neighbor list builds = 2189 -Dangerous builds = 1536 -Total wall time: 0:00:43 diff --git a/examples/granular/log.29Oct20.pour.drum.g++.4 b/examples/granular/log.29Oct20.pour.drum.g++.4 deleted file mode 100644 index e53da50b9b..0000000000 --- a/examples/granular/log.29Oct20.pour.drum.g++.4 +++ /dev/null @@ -1,271 +0,0 @@ -LAMMPS (29 Oct 2020) - using 1 OpenMP thread(s) per MPI task -# pour two types of particles (cohesive and non-cohesive) into cylinder -# 'turn' cylinder by changing direction of gravity, then rotate it. -# This simulates a rotating drum powder characterization experiment. - -variable name string rotating_drum_two_types - -atom_style sphere -units lj - -############################################### -# Geometry-related parameters -############################################### - -variable boxx equal 30 -variable boxy equal 30 -variable boxz equal 50 - -variable drum_rad equal ${boxx}*0.5 -variable drum_rad equal 30*0.5 -variable drum_height equal 20 - -variable xc equal 0.5*${boxx} -variable xc equal 0.5*30 -variable yc equal 0.5*${boxx} -variable yc equal 0.5*30 -variable zc equal 0.5*${boxz} -variable zc equal 0.5*50 - -############################################### -# Particle-related parameters -############################################### -variable rlo equal 0.25 -variable rhi equal 0.5 -variable dlo equal 2.0*${rlo} -variable dlo equal 2.0*0.25 -variable dhi equal 2.0*${rhi} -variable dhi equal 2.0*0.5 - -variable cyl_rad_inner equal ${drum_rad}-1.1*${rhi} -variable cyl_rad_inner equal 15-1.1*${rhi} -variable cyl_rad_inner equal 15-1.1*0.5 - -variable dens equal 1.0 - -variable skin equal 0.4*${rhi} -variable skin equal 0.4*0.5 - -############# -processors * * 1 -region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz} -region boxreg block 0 30 0 ${boxy} 0 ${boxz} -region boxreg block 0 30 0 30 0 ${boxz} -region boxreg block 0 30 0 30 0 50 -create_box 2 boxreg -Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (30.000000 30.000000 50.000000) - 2 by 2 by 1 MPI processor grid -change_box all boundary p p f -Changing box ... - -pair_style granular -pair_coeff 1 * hertz/material 1e5 0.2 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji -pair_coeff 2 2 jkr 1e5 0.1 0.3 50 tangential mindlin NULL 1.0 0.5 rolling sds 1e3 1e3 0.1 twisting marshall damping tsuji - -variable theta equal 0 - -region curved_wall cylinder z ${xc} ${yc} ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region curved_wall cylinder z 15 ${yc} ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region curved_wall cylinder z 15 15 ${drum_rad} 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region curved_wall cylinder z 15 15 15 0 ${drum_height} side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta 15 ${yc} 0 0 0 1 -region curved_wall cylinder z 15 15 15 0 20 side in rotate v_theta 15 15 0 0 0 1 -region bottom_wall plane ${xc} ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region bottom_wall plane 15 ${yc} 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta 15 ${yc} 0 0 0 1 -region bottom_wall plane 15 15 0 0 0 1 side in rotate v_theta 15 15 0 0 0 1 - -region insreg cylinder z ${xc} ${yc} ${cyl_rad_inner} ${drum_height} ${boxz} -region insreg cylinder z 15 ${yc} ${cyl_rad_inner} ${drum_height} ${boxz} -region insreg cylinder z 15 15 ${cyl_rad_inner} ${drum_height} ${boxz} -region insreg cylinder z 15 15 14.45 ${drum_height} ${boxz} -region insreg cylinder z 15 15 14.45 20 ${boxz} -region insreg cylinder z 15 15 14.45 20 50 - -fix 0 all balance 100 1.0 shift xy 5 1.1 -fix 1 all nve/sphere -fix grav all gravity 10 vector 0 0 -1 -fix ins1 all pour 2000 1 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens} -fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens} -fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens ${dens} ${dens} -fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 ${dens} -fix ins1 all pour 2000 1 1234 region insreg diam range 0.5 1 dens 1 1 -Particle insertion: 9396 every 490 steps, 2000 by step 1 -fix ins2 all pour 2000 2 1234 region insreg diam range ${dlo} ${dhi} dens ${dens} ${dens} -fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 ${dhi} dens ${dens} ${dens} -fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens ${dens} ${dens} -fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 ${dens} -fix ins2 all pour 2000 2 1234 region insreg diam range 0.5 1 dens 1 1 -Particle insertion: 9396 every 490 steps, 2000 by step 1 - -comm_modify vel yes - -neighbor ${skin} bin -neighbor 0.2 bin -neigh_modify delay 0 every 1 check yes - -fix 3 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region curved_wall -fix 4 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region bottom_wall - -thermo_style custom step atoms ke v_theta -thermo_modify lost warn -thermo 100 - -timestep 0.001 - -#dump 1 all custom 100 ${name}.dump id type radius mass x y z - -#For removal later -compute 1 all property/atom radius -variable zmax atom z+c_1>0.5*${drum_height} -variable zmax atom z+c_1>0.5*20 -group delgroup dynamic all var zmax every 10000 -dynamic group delgroup defined - -run 2000 -Neighbor list info ... - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 1.2 - ghost atom cutoff = 1.2 - binsize = 0.6, bins = 50 50 84 - 1 neighbor lists, perpetual/occasional/extra = 1 0 0 - (1) pair granular, perpetual - attributes: half, newton on, size, history - pair build: half/size/bin/newton - stencil: half/bin/3d/newton - bin: standard -Per MPI rank memory allocation (min/avg/max) = 12.25 | 12.25 | 12.25 Mbytes -Step Atoms KinEng v_theta - 0 0 -0 0 - 100 4000 -0 0 - 200 4000 -0 0 - 300 4000 -0 0 - 400 4000 -0 0 - 500 4000 -0 0 - 600 4000 -0 0 - 700 4000 -0 0 - 800 4000 -0 0 - 900 4000 -0 0 - 1000 4000 -0 0 - 1100 4000 -0 0 - 1200 4000 -0 0 - 1300 4000 -0 0 - 1400 4000 -0 0 - 1500 4000 -0 0 - 1600 4000 -0 0 - 1700 4000 -0 0 - 1800 4000 -0 0 - 1900 4000 -0 0 - 2000 4000 -0 0 -Loop time of 3.86825 on 4 procs for 2000 steps with 4000 atoms - -Performance: 44671.398 tau/day, 517.030 timesteps/s -96.7% CPU use with 4 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.26114 | 0.27918 | 0.28728 | 2.0 | 7.22 -Neigh | 1.2044 | 1.2414 | 1.3105 | 3.7 | 32.09 -Comm | 0.38592 | 0.47065 | 0.51052 | 7.4 | 12.17 -Output | 0.0007236 | 0.0013456 | 0.0024846 | 1.8 | 0.03 -Modify | 1.6217 | 1.6723 | 1.7801 | 5.0 | 43.23 -Other | | 0.2034 | | | 5.26 - -Nlocal: 1000.00 ave 1012 max 988 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Nghost: 269.250 ave 278 max 256 min -Histogram: 1 0 0 0 0 0 1 1 0 1 -Neighs: 2060.50 ave 2156 max 1921 min -Histogram: 1 0 0 1 0 0 0 0 0 2 - -Total # of neighbors = 8242 -Ave neighs/atom = 2.0605000 -Neighbor list builds = 1004 -Dangerous builds = 4 - -#Remove any particles that are above z > 0.5*drum_height -delete_atoms group delgroup -Deleted 0 atoms, new total = 4000 - -#Add top lid -region top_wall plane ${xc} ${yc} ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region top_wall plane 15 ${yc} ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region top_wall plane 15 15 ${drum_height} 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta ${xc} ${yc} 0 0 0 1 -region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta 15 ${yc} 0 0 0 1 -region top_wall plane 15 15 20 0 0 -1 side in rotate v_theta 15 15 0 0 0 1 -fix 5 all wall/gran/region granular hertz/material 1e5 0.1 0.3 tangential mindlin NULL 1.0 0.5 damping tsuji region top_wall - -# 'Turn' drum by switching the direction of gravity -unfix grav -unfix ins1 -unfix ins2 -fix grav all gravity 10 vector 0 -1 0 - -variable theta equal 2*PI*elapsed/20000.0 -run 3000 -Per MPI rank memory allocation (min/avg/max) = 18.55 | 18.55 | 18.55 Mbytes -Step Atoms KinEng v_theta - 2000 4000 65.819213 0 - 2100 4000 105.02389 0.031415927 - 2200 4000 112.02469 0.062831853 - 2300 4000 92.271262 0.09424778 - 2400 4000 89.369506 0.12566371 - 2500 4000 80.910925 0.15707963 - 2600 4000 31.620722 0.18849556 - 2700 4000 4.3019937 0.21991149 - 2800 4000 3.9913967 0.25132741 - 2900 4000 4.5203726 0.28274334 - 3000 4000 5.484886 0.31415927 - 3100 4000 6.1085958 0.34557519 - 3200 4000 6.7085635 0.37699112 - 3300 4000 7.4787777 0.40840704 - 3400 4000 8.2116413 0.43982297 - 3500 4000 8.7979302 0.4712389 - 3600 4000 9.871649 0.50265482 - 3700 4000 10.012426 0.53407075 - 3800 4000 9.9067754 0.56548668 - 3900 4000 9.725458 0.5969026 - 4000 4000 9.3350056 0.62831853 - 4100 4000 8.8337295 0.65973446 - 4200 4000 8.2712493 0.69115038 - 4300 4000 6.9609934 0.72256631 - 4400 4000 6.0120294 0.75398224 - 4500 4000 5.0490036 0.78539816 - 4600 4000 4.2796544 0.81681409 - 4700 4000 4.1736483 0.84823002 - 4800 4000 3.0860106 0.87964594 - 4900 4000 2.6670909 0.91106187 - 5000 4000 2.2901814 0.9424778 -Loop time of 10.7627 on 4 procs for 3000 steps with 4000 atoms - -Performance: 24083.252 tau/day, 278.741 timesteps/s -97.9% CPU use with 4 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 1.6731 | 2.0701 | 2.3327 | 18.9 | 19.23 -Neigh | 2.7389 | 3.1706 | 3.5146 | 15.7 | 29.46 -Comm | 0.93507 | 1.5441 | 2.1182 | 39.1 | 14.35 -Output | 0.0021682 | 0.0044412 | 0.006026 | 2.2 | 0.04 -Modify | 3.0031 | 3.4223 | 3.9262 | 18.3 | 31.80 -Other | | 0.5511 | | | 5.12 - -Nlocal: 1000.00 ave 1277 max 723 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Nghost: 569.750 ave 809 max 454 min -Histogram: 1 2 0 0 0 0 0 0 0 1 -Neighs: 3690.50 ave 4937 max 2426 min -Histogram: 1 1 0 0 0 0 0 0 0 2 - -Total # of neighbors = 14762 -Ave neighs/atom = 3.6905000 -Neighbor list builds = 2187 -Dangerous builds = 1610 -Total wall time: 0:00:14 diff --git a/examples/granular/log.29Oct20.pour.flatwall.g++.1 b/examples/granular/log.29Oct20.pour.flatwall.g++.1 deleted file mode 100644 index 00fc8e31a1..0000000000 --- a/examples/granular/log.29Oct20.pour.flatwall.g++.1 +++ /dev/null @@ -1,188 +0,0 @@ -LAMMPS (29 Oct 2020) - using 1 OpenMP thread(s) per MPI task -# pour two types of particles (cohesive and non-cohesive) on flat wall - -variable name string pour_two_types - -atom_style sphere -units lj - -############################################### -# Geometry-related parameters -############################################### - -variable boxx equal 20 -variable boxy equal 20 -variable boxz equal 30 - -variable xc1 equal 0.3*${boxx} -variable xc1 equal 0.3*20 -variable xc2 equal 0.7*${boxx} -variable xc2 equal 0.7*20 -variable yc equal 0.5*${boxy} -variable yc equal 0.5*20 - -############################################### -# Particle-related parameters -############################################### -variable rlo equal 0.25 -variable rhi equal 0.5 -variable dlo equal 2.0*${rlo} -variable dlo equal 2.0*0.25 -variable dhi equal 2.0*${rhi} -variable dhi equal 2.0*0.5 - -variable dens equal 1.0 - -variable skin equal 0.3*${rhi} -variable skin equal 0.3*0.5 - -############# -processors * * 1 -region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz} -region boxreg block 0 20 0 ${boxy} 0 ${boxz} -region boxreg block 0 20 0 20 0 ${boxz} -region boxreg block 0 20 0 20 0 30 -create_box 2 boxreg -Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (20.000000 20.000000 30.000000) - 1 by 1 by 1 MPI processor grid -change_box all boundary p p f -Changing box ... - -pair_style granular -pair_coeff 1 * jkr 1000.0 50.0 0.3 10 tangential mindlin 800.0 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall -pair_coeff 2 2 hertz 200.0 20.0 tangential linear_history 300.0 1.0 0.1 rolling sds 200.0 100.0 0.1 twisting marshall - -comm_modify vel yes - -region insreg1 cylinder z ${xc1} ${yc} 5 15 ${boxz} -region insreg1 cylinder z 6 ${yc} 5 15 ${boxz} -region insreg1 cylinder z 6 10 5 15 ${boxz} -region insreg1 cylinder z 6 10 5 15 30 -region insreg2 cylinder z ${xc2} ${yc} 5 15 ${boxz} -region insreg2 cylinder z 14 ${yc} 5 15 ${boxz} -region insreg2 cylinder z 14 10 5 15 ${boxz} -region insreg2 cylinder z 14 10 5 15 30 - -fix 1 all nve/sphere -fix grav all gravity 10.0 vector 0 0 -1 -fix ins1 all pour 1500 1 3123 region insreg1 diam range ${dlo} ${dhi} dens ${dens} ${dens} -fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 ${dhi} dens ${dens} ${dens} -fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens ${dens} ${dens} -fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 ${dens} -fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 1 -Particle insertion: 562 every 346 steps, 1500 by step 693 -fix ins2 all pour 1500 2 3123 region insreg2 diam range ${dlo} ${dhi} dens ${dens} ${dens} -fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 ${dhi} dens ${dens} ${dens} -fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens ${dens} ${dens} -fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 ${dens} -fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 1 -Particle insertion: 562 every 346 steps, 1500 by step 693 - -neighbor ${skin} bin -neighbor 0.15 bin -neigh_modify delay 0 every 1 check yes - -fix 3 all wall/gran granular hertz/material 1e5 1e3 0.3 tangential mindlin NULL 1.0 0.5 zplane 0 NULL - -thermo_style custom step atoms ke -thermo_modify lost warn -thermo 100 - -timestep 0.001 - -#dump 1 all custom 100 ${name}.dump id type radius mass x y z - -run 5000 -Neighbor list info ... - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 1.15 - ghost atom cutoff = 1.15 - binsize = 0.575, bins = 35 35 53 - 1 neighbor lists, perpetual/occasional/extra = 1 0 0 - (1) pair granular, perpetual - attributes: half, newton on, size, history - pair build: half/size/bin/newton - stencil: half/bin/3d/newton - bin: standard -Per MPI rank memory allocation (min/avg/max) = 12.22 | 12.22 | 12.22 Mbytes -Step Atoms KinEng - 0 0 -0 - 100 926 -0 - 200 926 -0 - 300 926 -0 - 400 1498 -0 - 500 1498 -0 - 600 1498 -0 - 700 2275 -0 - 800 2275 -0 - 900 2275 -0 - 1000 2275 -0 - 1100 2954 -0 - 1200 2954 -0 - 1300 2954 -0 - 1400 3000 -0 - 1500 3000 -0 - 1600 3000 -0 - 1700 3000 -0 - 1800 3000 -0 - 1900 3000 -0 - 2000 3000 -0 - 2100 3000 -0 - 2200 3000 -0 - 2300 3000 -0 - 2400 3000 -0 - 2500 3000 -0 - 2600 3000 -0 - 2700 3000 -0 - 2800 3000 -0 - 2900 3000 -0 - 3000 3000 -0 - 3100 3000 -0 - 3200 3000 -0 - 3300 3000 -0 - 3400 3000 -0 - 3500 3000 -0 - 3600 3000 -0 - 3700 3000 -0 - 3800 3000 -0 - 3900 3000 -0 - 4000 3000 -0 - 4100 3000 -0 - 4200 3000 -0 - 4300 3000 -0 - 4400 3000 -0 - 4500 3000 -0 - 4600 3000 -0 - 4700 3000 -0 - 4800 3000 -0 - 4900 3000 -0 - 5000 3000 -0 -Loop time of 24.3889 on 1 procs for 5000 steps with 3000 atoms - -Performance: 17713.003 tau/day, 205.012 timesteps/s -99.9% CPU use with 1 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 14.362 | 14.362 | 14.362 | 0.0 | 58.89 -Neigh | 3.3483 | 3.3483 | 3.3483 | 0.0 | 13.73 -Comm | 0.42893 | 0.42893 | 0.42893 | 0.0 | 1.76 -Output | 0.0025065 | 0.0025065 | 0.0025065 | 0.0 | 0.01 -Modify | 6.059 | 6.059 | 6.059 | 0.0 | 24.84 -Other | | 0.1876 | | | 0.77 - -Nlocal: 3000.00 ave 3000 max 3000 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 462.000 ave 462 max 462 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 17694.0 ave 17694 max 17694 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 17694 -Ave neighs/atom = 5.8980000 -Neighbor list builds = 1133 -Dangerous builds = 0 -Total wall time: 0:00:24 diff --git a/examples/granular/log.29Oct20.pour.flatwall.g++.4 b/examples/granular/log.29Oct20.pour.flatwall.g++.4 deleted file mode 100644 index 1688e52b43..0000000000 --- a/examples/granular/log.29Oct20.pour.flatwall.g++.4 +++ /dev/null @@ -1,188 +0,0 @@ -LAMMPS (29 Oct 2020) - using 1 OpenMP thread(s) per MPI task -# pour two types of particles (cohesive and non-cohesive) on flat wall - -variable name string pour_two_types - -atom_style sphere -units lj - -############################################### -# Geometry-related parameters -############################################### - -variable boxx equal 20 -variable boxy equal 20 -variable boxz equal 30 - -variable xc1 equal 0.3*${boxx} -variable xc1 equal 0.3*20 -variable xc2 equal 0.7*${boxx} -variable xc2 equal 0.7*20 -variable yc equal 0.5*${boxy} -variable yc equal 0.5*20 - -############################################### -# Particle-related parameters -############################################### -variable rlo equal 0.25 -variable rhi equal 0.5 -variable dlo equal 2.0*${rlo} -variable dlo equal 2.0*0.25 -variable dhi equal 2.0*${rhi} -variable dhi equal 2.0*0.5 - -variable dens equal 1.0 - -variable skin equal 0.3*${rhi} -variable skin equal 0.3*0.5 - -############# -processors * * 1 -region boxreg block 0 ${boxx} 0 ${boxy} 0 ${boxz} -region boxreg block 0 20 0 ${boxy} 0 ${boxz} -region boxreg block 0 20 0 20 0 ${boxz} -region boxreg block 0 20 0 20 0 30 -create_box 2 boxreg -Created orthogonal box = (0.0000000 0.0000000 0.0000000) to (20.000000 20.000000 30.000000) - 2 by 2 by 1 MPI processor grid -change_box all boundary p p f -Changing box ... - -pair_style granular -pair_coeff 1 * jkr 1000.0 50.0 0.3 10 tangential mindlin 800.0 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall -pair_coeff 2 2 hertz 200.0 20.0 tangential linear_history 300.0 1.0 0.1 rolling sds 200.0 100.0 0.1 twisting marshall - -comm_modify vel yes - -region insreg1 cylinder z ${xc1} ${yc} 5 15 ${boxz} -region insreg1 cylinder z 6 ${yc} 5 15 ${boxz} -region insreg1 cylinder z 6 10 5 15 ${boxz} -region insreg1 cylinder z 6 10 5 15 30 -region insreg2 cylinder z ${xc2} ${yc} 5 15 ${boxz} -region insreg2 cylinder z 14 ${yc} 5 15 ${boxz} -region insreg2 cylinder z 14 10 5 15 ${boxz} -region insreg2 cylinder z 14 10 5 15 30 - -fix 1 all nve/sphere -fix grav all gravity 10.0 vector 0 0 -1 -fix ins1 all pour 1500 1 3123 region insreg1 diam range ${dlo} ${dhi} dens ${dens} ${dens} -fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 ${dhi} dens ${dens} ${dens} -fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens ${dens} ${dens} -fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 ${dens} -fix ins1 all pour 1500 1 3123 region insreg1 diam range 0.5 1 dens 1 1 -Particle insertion: 562 every 346 steps, 1500 by step 693 -fix ins2 all pour 1500 2 3123 region insreg2 diam range ${dlo} ${dhi} dens ${dens} ${dens} -fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 ${dhi} dens ${dens} ${dens} -fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens ${dens} ${dens} -fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 ${dens} -fix ins2 all pour 1500 2 3123 region insreg2 diam range 0.5 1 dens 1 1 -Particle insertion: 562 every 346 steps, 1500 by step 693 - -neighbor ${skin} bin -neighbor 0.15 bin -neigh_modify delay 0 every 1 check yes - -fix 3 all wall/gran granular hertz/material 1e5 1e3 0.3 tangential mindlin NULL 1.0 0.5 zplane 0 NULL - -thermo_style custom step atoms ke -thermo_modify lost warn -thermo 100 - -timestep 0.001 - -#dump 1 all custom 100 ${name}.dump id type radius mass x y z - -run 5000 -Neighbor list info ... - update every 1 steps, delay 0 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 1.15 - ghost atom cutoff = 1.15 - binsize = 0.575, bins = 35 35 53 - 1 neighbor lists, perpetual/occasional/extra = 1 0 0 - (1) pair granular, perpetual - attributes: half, newton on, size, history - pair build: half/size/bin/newton - stencil: half/bin/3d/newton - bin: standard -Per MPI rank memory allocation (min/avg/max) = 11.98 | 11.98 | 11.98 Mbytes -Step Atoms KinEng - 0 0 -0 - 100 926 -0 - 200 926 -0 - 300 926 -0 - 400 1498 -0 - 500 1498 -0 - 600 1498 -0 - 700 2275 -0 - 800 2275 -0 - 900 2275 -0 - 1000 2275 -0 - 1100 2954 -0 - 1200 2954 -0 - 1300 2954 -0 - 1400 3000 -0 - 1500 3000 -0 - 1600 3000 -0 - 1700 3000 -0 - 1800 3000 -0 - 1900 3000 -0 - 2000 3000 -0 - 2100 3000 -0 - 2200 3000 -0 - 2300 3000 -0 - 2400 3000 -0 - 2500 3000 -0 - 2600 3000 -0 - 2700 3000 -0 - 2800 3000 -0 - 2900 3000 -0 - 3000 3000 -0 - 3100 3000 -0 - 3200 3000 -0 - 3300 3000 -0 - 3400 3000 -0 - 3500 3000 -0 - 3600 3000 -0 - 3700 3000 -0 - 3800 3000 -0 - 3900 3000 -0 - 4000 3000 -0 - 4100 3000 -0 - 4200 3000 -0 - 4300 3000 -0 - 4400 3000 -0 - 4500 3000 -0 - 4600 3000 -0 - 4700 3000 -0 - 4800 3000 -0 - 4900 3000 -0 - 5000 3000 -0 -Loop time of 12.1982 on 4 procs for 5000 steps with 3000 atoms - -Performance: 35414.923 tau/day, 409.895 timesteps/s -97.0% CPU use with 4 MPI tasks x 1 OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 1.7141 | 3.8131 | 6.2143 | 107.3 | 31.26 -Neigh | 0.77648 | 0.96585 | 1.1892 | 18.3 | 7.92 -Comm | 0.7427 | 3.5566 | 5.9731 | 128.4 | 29.16 -Output | 0.0067544 | 0.0086352 | 0.011408 | 1.8 | 0.07 -Modify | 3.3476 | 3.5826 | 3.8235 | 11.5 | 29.37 -Other | | 0.2715 | | | 2.23 - -Nlocal: 750.000 ave 1033 max 463 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Nghost: 435.000 ave 492 max 378 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Neighs: 4434.50 ave 7028 max 1967 min -Histogram: 2 0 0 0 0 0 0 0 0 2 - -Total # of neighbors = 17738 -Ave neighs/atom = 5.9126667 -Neighbor list builds = 1139 -Dangerous builds = 0 -Total wall time: 0:00:12