diff --git a/examples/bpm/impact/log.27Oct2021.impact.spring.g++.4 b/examples/bpm/impact/log.27Oct2021.impact.spring.g++.4 deleted file mode 100644 index bb7b526ed9..0000000000 --- a/examples/bpm/impact/log.27Oct2021.impact.spring.g++.4 +++ /dev/null @@ -1,217 +0,0 @@ -LAMMPS (27 Oct 2021) -units lj -dimension 3 -boundary f f f -atom_style sphere/bpm -special_bonds lj 0.0 1.0 1.0 coul 0.0 1.0 1.0 -newton on off -comm_modify vel yes cutoff 2.6 -lattice fcc 1.0 -Lattice spacing in x,y,z = 1.5874011 1.5874011 1.5874011 -region box block -25 15 -22 22 -22 22 -create_box 1 box bond/types 2 extra/bond/per/atom 20 extra/special/per/atom 50 -Created orthogonal box = (-39.685026 -34.922823 -34.922823) to (23.811016 34.922823 34.922823) - 1 by 2 by 2 MPI processor grid - -region disk cylinder x 0.0 0.0 20.0 -0.5 0.5 -create_atoms 1 region disk -Created 7529 atoms - using lattice units in orthogonal box = (-39.685026 -34.922823 -34.922823) to (23.811016 34.922823 34.922823) - create_atoms CPU = 0.006 seconds -group plate region disk -7529 atoms in group plate - -region ball sphere 8.0 0.0 0.0 6.0 -create_atoms 1 region ball -Created 3589 atoms - using lattice units in orthogonal box = (-39.685026 -34.922823 -34.922823) to (23.811016 34.922823 34.922823) - create_atoms CPU = 0.001 seconds -group projectile region ball -3589 atoms in group projectile - -displace_atoms all random 0.1 0.1 0.1 134598738 -Displacing atoms ... - -neighbor 1.0 bin -pair_style gran/hooke/history 1.0 NULL 0.5 NULL 0.1 1 -pair_coeff 1 1 - -fix 1 all nve/sphere/bpm - -create_bonds many plate plate 1 0.0 1.5 -Neighbor list info ... - update every 1 steps, delay 10 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 2 - ghost atom cutoff = 2.6 - binsize = 1, bins = 64 70 70 - 2 neighbor lists, perpetual/occasional/extra = 1 1 0 - (1) command create_bonds, occasional - attributes: full, newton on - pair build: full/bin - stencil: full/bin/3d - bin: standard - (2) pair gran/hooke/history, perpetual - attributes: half, newton on, size, history - pair build: half/size/bin/newton - stencil: half/bin/3d - bin: standard -Added 38559 bonds, new total = 38559 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 1 1 - 15 = max # of 1-2 neighbors - 101 = max # of special neighbors - special bonds CPU = 0.002 seconds -create_bonds many projectile projectile 2 0.0 1.5 -WARNING: Bonds are defined but no bond style is set (../force.cpp:191) -WARNING: Likewise 1-2 special neighbor interactions != 1.0 (../force.cpp:193) -Added 21869 bonds, new total = 60428 -Finding 1-2 1-3 1-4 neighbors ... - special bond factors lj: 0 1 1 - special bond factors coul: 0 1 1 - 16 = max # of 1-2 neighbors - 101 = max # of special neighbors - special bonds CPU = 0.002 seconds - -neighbor 0.3 bin -special_bonds lj 0.0 1.0 1.0 coul 1.0 1.0 1.0 - -bond_style bpm/rotational store/local brkbond 100 time id1 id2 -bond_coeff 1 1.0 0.2 0.02 0.02 0.05 0.01 0.01 0.01 0.1 0.02 0.002 0.002 -bond_coeff 2 1.0 0.2 0.02 0.02 0.20 0.04 0.04 0.04 0.1 0.02 0.002 0.002 - -velocity projectile set -0.05 0.0 0.0 -compute nbond all nbond/atom -compute tbond all reduce sum c_nbond - -timestep 0.05 -thermo_style custom step ke pe pxx pyy pzz c_tbond -thermo 100 -thermo_modify lost ignore lost/bond ignore -#dump 1 all custom 100 atomDump id radius x y z c_nbond - -dump 2 all local 100 brokenDump f_brkbond[1] f_brkbond[2] f_brkbond[3] -dump_modify 2 header no - -run 7500 -WARNING: No fixes with time integration, atoms won't move (../verlet.cpp:60) -Neighbor list info ... - update every 1 steps, delay 10 steps, check yes - max neighbors/atom: 2000, page size: 100000 - master list distance cutoff = 1.3 - ghost atom cutoff = 2.6 - binsize = 0.65, bins = 98 108 108 - 1 neighbor lists, perpetual/occasional/extra = 1 0 0 - (1) pair gran/hooke/history, 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) = 33.34 | 33.34 | 33.35 Mbytes -Step KinEng PotEng Pxx Pyy Pzz c_tbond - 0 0.00053238861 0 3.8217307e-05 0 0 10.8703 - 100 0.00053238861 0 3.8217307e-05 2.0196245e-19 2.0291801e-19 10.8703 - 200 0.00053238861 0 3.8217307e-05 3.0246341e-19 2.9178664e-19 10.8703 - 300 0.00053238861 0 3.8217307e-05 3.3428362e-19 3.2669661e-19 10.8703 - 400 0.00053238861 0 3.8217307e-05 3.5002919e-19 3.3516777e-19 10.8703 - 500 0.00053102278 0 3.8469829e-05 7.3311547e-08 1.4473347e-07 10.8703 - 600 0.00051549609 0 4.0342929e-05 3.87734e-07 4.9640786e-07 10.868322 - 700 0.00050121532 0 3.8778736e-05 4.6411496e-07 4.3149467e-07 10.850333 - 800 0.00049869661 0 3.6779398e-05 4.748259e-07 3.5191586e-07 10.803202 - 900 0.00049580923 0 3.5608764e-05 9.3667316e-07 5.0139078e-07 10.737363 - 1000 0.00049478796 0 3.5573518e-05 7.9599489e-07 6.7732416e-07 10.683396 - 1100 0.00048712204 0 3.5843955e-05 1.1345563e-06 1.4066243e-06 10.662169 - 1200 0.00048265244 0 3.5288538e-05 1.7434542e-06 1.6555952e-06 10.642921 - 1300 0.00047982046 0 3.4929699e-05 1.5116612e-06 1.1824842e-06 10.62925 - 1400 0.00048024672 0 3.4696478e-05 1.0219046e-06 9.6017582e-07 10.619716 - 1500 0.0004721757 0 3.4671814e-05 1.7623303e-06 1.6904391e-06 10.608023 - 1600 0.00045691175 0 3.3618706e-05 2.0127313e-06 2.2294075e-06 10.599208 - 1700 0.00044846472 0 3.2628068e-05 2.1732651e-06 2.6125725e-06 10.586796 - 1800 0.00044916668 0 3.2074126e-05 1.713271e-06 2.2306226e-06 10.562691 - 1900 0.00044434475 0 3.1841489e-05 1.4069412e-06 1.6739368e-06 10.540025 - 2000 0.00044011236 0 3.1535369e-05 1.8850064e-06 1.966093e-06 10.508365 - 2100 0.00043343658 0 3.1327313e-05 1.7877497e-06 1.9031224e-06 10.466271 - 2200 0.00043076716 0 3.1141775e-05 2.260934e-06 1.7405179e-06 10.428135 - 2300 0.0004252247 0 3.065038e-05 1.8685672e-06 1.6444209e-06 10.398993 - 2400 0.00042502327 0 3.0356508e-05 1.8748934e-06 1.3329686e-06 10.380644 - 2500 0.00042142831 0 3.0164965e-05 2.1119049e-06 1.7118338e-06 10.366433 - 2600 0.00042131885 0 3.0065244e-05 1.6092748e-06 1.5373156e-06 10.35456 - 2700 0.00042303607 0 3.0011813e-05 1.7496254e-06 1.77836e-06 10.327937 - 2800 0.00042148119 0 2.9849777e-05 1.5035087e-06 1.5374543e-06 10.314085 - 2900 0.00042092112 0 2.9766439e-05 1.2512363e-06 1.417453e-06 10.302572 - 3000 0.00042298628 0 2.985456e-05 1.030367e-06 1.2706193e-06 10.297536 - 3100 0.00042098731 0 2.9773119e-05 1.1020439e-06 1.3236711e-06 10.293938 - 3200 0.00042190155 0 2.975807e-05 1.0825659e-06 1.207615e-06 10.2907 - 3300 0.00041840008 0 2.9573071e-05 1.0027126e-06 1.0591685e-06 10.286562 - 3400 0.00041726315 0 2.9629012e-05 1.3206781e-06 1.0694496e-06 10.280986 - 3500 0.00041553548 0 2.9393577e-05 1.4604125e-06 1.2547784e-06 10.27361 - 3600 0.00041551693 0 2.9122892e-05 1.0944373e-06 9.6499513e-07 10.271632 - 3700 0.00041351569 0 2.8943889e-05 9.6203862e-07 8.3123719e-07 10.270192 - 3800 0.00041419735 0 2.9031969e-05 1.1893061e-06 7.9832166e-07 10.267494 - 3900 0.0004142108 0 2.8912904e-05 1.0049279e-06 9.0628823e-07 10.255442 - 4000 0.00041253668 0 2.8794779e-05 8.3301821e-07 8.2348634e-07 10.250045 - 4100 0.00041245029 0 2.8626953e-05 1.0440229e-06 9.7296445e-07 10.239971 - 4200 0.00041239868 0 2.8576872e-05 8.5677759e-07 9.4929241e-07 10.235114 - 4300 0.0004105539 0 2.845078e-05 7.9007545e-07 9.4314698e-07 10.227559 - 4400 0.00041038071 0 2.8447842e-05 8.3506095e-07 9.403948e-07 10.220363 - 4500 0.0004094738 0 2.8385536e-05 7.4474323e-07 8.9167115e-07 10.214247 - 4600 0.00040931891 0 2.8293128e-05 6.9842277e-07 8.7986292e-07 10.211189 - 4700 0.00040935826 0 2.832743e-05 7.7312621e-07 8.6571149e-07 10.208491 - 4800 0.00040894424 0 2.8290022e-05 7.560957e-07 7.8478084e-07 10.202195 - 4900 0.00040771373 0 2.8211024e-05 8.8835691e-07 7.6981867e-07 10.196816 - 5000 0.0004075835 0 2.8242057e-05 7.9265659e-07 8.5594679e-07 10.18854 - 5100 0.00040629886 0 2.8147996e-05 8.29922e-07 8.2991198e-07 10.186938 - 5200 0.00040615587 0 2.8075206e-05 7.9676977e-07 8.3313535e-07 10.183699 - 5300 0.00040623905 0 2.8061445e-05 8.5454501e-07 8.3464967e-07 10.18154 - 5400 0.00040639649 0 2.8095492e-05 9.219289e-07 8.8970884e-07 10.180281 - 5500 0.00040632069 0 2.8146737e-05 9.5125536e-07 9.2967258e-07 10.179741 - 5600 0.00040615846 0 2.8095814e-05 9.4628277e-07 9.4475909e-07 10.179201 - 5700 0.00040661759 0 2.8056252e-05 9.1418005e-07 9.3869835e-07 10.177942 - 5800 0.00040636342 0 2.7980285e-05 8.7191961e-07 9.4296893e-07 10.177042 - 5900 0.00040517906 0 2.7876934e-05 8.3277579e-07 9.2807515e-07 10.178694 - 6000 0.00040392762 0 2.7828073e-05 8.3950266e-07 9.4521092e-07 10.180166 - 6100 0.00040367162 0 2.7800472e-05 8.720166e-07 1.0332147e-06 10.179806 - 6200 0.00040335119 0 2.7762148e-05 8.5284463e-07 9.3150721e-07 10.179086 - 6300 0.00040340642 0 2.7769051e-05 8.3428098e-07 8.7041896e-07 10.178546 - 6400 0.0004030719 0 2.7741943e-05 7.952126e-07 8.3664709e-07 10.179282 - 6500 0.00040347682 0 2.7744595e-05 7.8058438e-07 8.4639064e-07 10.178382 - 6600 0.00040257759 0 2.7667961e-05 7.8150592e-07 8.5501519e-07 10.179298 - 6700 0.00040217981 0 2.7649415e-05 8.1293625e-07 9.4727792e-07 10.178938 - 6800 0.00040191405 0 2.7693195e-05 8.0894279e-07 1.1604089e-06 10.178938 - 6900 0.00040208358 0 2.7773245e-05 7.9264674e-07 1.1927033e-06 10.178758 - 7000 0.00040239724 0 2.782978e-05 8.330894e-07 1.2084905e-06 10.178758 - 7100 0.00040269303 0 2.7728862e-05 8.1375466e-07 1.0779344e-06 10.178758 - 7200 0.00040227155 0 2.7654709e-05 8.3101678e-07 9.7757461e-07 10.17969 - 7300 0.00040115701 0 2.7604211e-05 8.07161e-07 9.4401828e-07 10.181376 - 7400 0.00039998681 0 2.7528309e-05 7.8970732e-07 9.3464728e-07 10.182703 - 7500 0.00039916281 0 2.7432547e-05 7.9446882e-07 8.9887681e-07 10.182949 -Loop time of 34.6948 on 4 procs for 7500 steps with 11096 atoms - -Performance: 933857.672 tau/day, 216.171 timesteps/s -98.4% CPU use with 4 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 0.32481 | 0.33445 | 0.34816 | 1.6 | 0.96 -Bond | 26.728 | 28.076 | 29.753 | 23.9 | 80.92 -Neigh | 0.68094 | 0.72261 | 0.7747 | 4.8 | 2.08 -Comm | 1.5266 | 3.3654 | 4.8309 | 75.3 | 9.70 -Output | 0.018332 | 0.018804 | 0.019756 | 0.4 | 0.05 -Modify | 1.9305 | 2.0147 | 2.1302 | 6.0 | 5.81 -Other | | 0.1631 | | | 0.47 - -Nlocal: 2774.00 ave 2898 max 2701 min -Histogram: 1 1 0 1 0 0 0 0 0 1 -Nghost: 1165.25 ave 1208 max 1142 min -Histogram: 2 0 0 1 0 0 0 0 0 1 -Neighs: 11425.0 ave 12539 max 10556 min -Histogram: 1 0 1 0 1 0 0 0 0 1 - -Total # of neighbors = 45700 -Ave neighs/atom = 4.1186013 -Ave special neighs/atom = 10.184841 -Neighbor list builds = 451 -Dangerous builds = 0 -Total wall time: 0:00:35