From 607fa010dc4366ab636819041d71111dc810a332 Mon Sep 17 00:00:00 2001 From: jtclemm Date: Wed, 29 Jul 2026 14:26:30 -0600 Subject: [PATCH 1/6] Patching region contacts when exactly on PBC or beyond --- src/region.cpp | 38 +++++++++++++++++++++++++------------- 1 file changed, 25 insertions(+), 13 deletions(-) diff --git a/src/region.cpp b/src/region.cpp index 32ef375ed9e..a95116401a2 100644 --- a/src/region.cpp +++ b/src/region.cpp @@ -143,9 +143,16 @@ void Region::prematch() int Region::match(double x, double y, double z) { - if (dynamic) inverse_transform(x, y, z); + // Remap into the box if periodic, not all subclasses/methods treat region extending beyond periodic edge + double xremap[3]; + xremap[0] = x; + xremap[1] = y; + xremap[2] = z; + domain->remap(xremap); + + if (dynamic) inverse_transform(xremap[0], xremap[1], xremap[2]); if (openflag) return 1; - return !(inside(x, y, z) ^ interior); + return !(inside(xremap[0], xremap[1], xremap[2]) ^ interior); } /* ---------------------------------------------------------------------- @@ -164,18 +171,20 @@ int Region::surface(double x, double y, double z, double cutoff) { int ncontact; double xs, ys, zs; - double xnear[3], xorig[3]; + double xremap[3], xnear[3], xorig[3]; + + // Remap into the box if periodic, not all subclasses/methods treat region extending beyond periodic edge + xremap[0] = x; + xremap[1] = y; + xremap[2] = z; + domain->remap(xremap); if (dynamic) { - xorig[0] = x; - xorig[1] = y; - xorig[2] = z; - inverse_transform(x, y, z); + MathExtra::copy3(xremap, xorig); + inverse_transform(xremap[0], xremap[1], xremap[2]); } - xnear[0] = x; - xnear[1] = y; - xnear[2] = z; + MathExtra::copy3(xremap, xnear); if (!openflag) { if (interior) @@ -183,9 +192,12 @@ int Region::surface(double x, double y, double z, double cutoff) else ncontact = surface_exterior(xnear, cutoff); } else { - // one of surface_int/ext() will return 0 - // so no need to worry about offset of contact indices - ncontact = surface_exterior(xnear, cutoff) + surface_interior(xnear, cutoff); + // most of the time, one of surface_int/ext() will return 0 + // however, when exactly on top of a periodic boundary + // both could return 1, so run exterior then interior + ncontact = surface_exterior(xnear, cutoff); + if (ncontact == 0) + ncontact = surface_interior(xnear, cutoff); } if (rotateflag && ncontact) { From 5fbde105c0a16381de7bbb23f54ffe3da5738d16 Mon Sep 17 00:00:00 2001 From: jtclemm Date: Wed, 29 Jul 2026 15:10:31 -0600 Subject: [PATCH 2/6] Missing sqrt(2) in Tsuji --- doc/src/pair_granular.rst | 9 ++++++++- src/GRANULAR/gran_sub_mod_damping.cpp | 12 ++++++++---- 2 files changed, 16 insertions(+), 5 deletions(-) diff --git a/doc/src/pair_granular.rst b/doc/src/pair_granular.rst index e2d20354108..f1b39fe2b83 100644 --- a/doc/src/pair_granular.rst +++ b/doc/src/pair_granular.rst @@ -410,12 +410,19 @@ restitution coefficient *e* according to: .. math:: - \alpha = 1.2728-4.2783e+11.087e^2-22.348e^3+27.467e^4-18.022e^5+4.8218e^6 + \alpha / \sqrt{2} = 1.2728-4.2783e+11.087e^2-22.348e^3+27.467e^4-18.022e^5+4.8218e^6 The dimensionless coefficient of restitution :math:`e` specified as part of the normal contact model parameters should be between 0 and 1, but no error check is performed on this. +.. versionchanged:: TBD + +This numerical solution is from :ref:`(Marshall, 2009) ` +where the factor of :math:`sqrt{2}` arises from a difference in convention +from Tsuji when defining :math:`\alpha` using either the mass vs. effective +mass. This factor was missing in earlier versions of LAMMPS. + The *coeff_restitution* model is useful when a specific normal coefficient of restitution :math:`e` is required. It operates much like the *Tsuji* model but, the normal coefficient of restitution :math:`e` diff --git a/src/GRANULAR/gran_sub_mod_damping.cpp b/src/GRANULAR/gran_sub_mod_damping.cpp index fa5addccc5d..ac6f81d6aa5 100644 --- a/src/GRANULAR/gran_sub_mod_damping.cpp +++ b/src/GRANULAR/gran_sub_mod_damping.cpp @@ -136,10 +136,14 @@ void GranSubModDampingTsuji::init() if (gm->normal_model->name == "mdr") error->all(FLERR, "Only damping mdr may be used with the mdr normal model"); - double tmp = gm->normal_model->get_damp(); - damp = 1.2728 - 4.2783 * tmp + 11.087 * square(tmp); - damp += -22.348 * cube(tmp) + 27.467 * powint(tmp, 4); - damp += -18.022 * powint(tmp, 5) + 4.8218 * powint(tmp, 6); + // Eq. 53 from Marshall 2009 + double cor = gm->normal_model->get_damp(); + damp = 1.2728 - 4.2783 * cor + 11.087 * square(cor); + damp += -22.348 * cube(cor) + 27.467 * powint(cor, 4); + damp += -18.022 * powint(cor, 5) + 4.8218 * powint(cor, 6); + + // multiply sqrt(2) for effective mass convention (as in Tsuji 1992) + damp *= M_SQRT2; } /* ---------------------------------------------------------------------- */ From 7ee3eb98672d967b762a5b09659c190269c67f58 Mon Sep 17 00:00:00 2001 From: jtclemm Date: Wed, 29 Jul 2026 15:38:52 -0600 Subject: [PATCH 3/6] Switching to MathConst --- src/GRANULAR/gran_sub_mod_damping.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/GRANULAR/gran_sub_mod_damping.cpp b/src/GRANULAR/gran_sub_mod_damping.cpp index ac6f81d6aa5..e611bc7c895 100644 --- a/src/GRANULAR/gran_sub_mod_damping.cpp +++ b/src/GRANULAR/gran_sub_mod_damping.cpp @@ -143,7 +143,7 @@ void GranSubModDampingTsuji::init() damp += -18.022 * powint(cor, 5) + 4.8218 * powint(cor, 6); // multiply sqrt(2) for effective mass convention (as in Tsuji 1992) - damp *= M_SQRT2; + damp *= MY_SQRT2; } /* ---------------------------------------------------------------------- */ From 3f25227fcd6aa34ab486be8dab6b07afe5da618e Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 29 Jul 2026 18:03:50 -0400 Subject: [PATCH 4/6] update logs --- examples/granular/log.27Jun24.pour.heat.g++.1 | 1167 ---------------- examples/granular/log.27Jun24.pour.heat.g++.4 | 1167 ---------------- ...drum.g++.1 => log.29Jul26.pour.drum.g++.1} | 134 +- ...drum.g++.4 => log.29Jul26.pour.drum.g++.4} | 144 +- examples/granular/log.29Jul26.pour.heat.g++.1 | 1170 +++++++++++++++++ examples/granular/log.29Jul26.pour.heat.g++.4 | 1170 +++++++++++++++++ 6 files changed, 2481 insertions(+), 2471 deletions(-) delete mode 100644 examples/granular/log.27Jun24.pour.heat.g++.1 delete mode 100644 examples/granular/log.27Jun24.pour.heat.g++.4 rename examples/granular/{log.27Jun24.pour.drum.g++.1 => log.29Jul26.pour.drum.g++.1} (73%) rename examples/granular/{log.27Jun24.pour.drum.g++.4 => log.29Jul26.pour.drum.g++.4} (71%) create mode 100644 examples/granular/log.29Jul26.pour.heat.g++.1 create mode 100644 examples/granular/log.29Jul26.pour.heat.g++.4 diff --git a/examples/granular/log.27Jun24.pour.heat.g++.1 b/examples/granular/log.27Jun24.pour.heat.g++.1 deleted file mode 100644 index d09a9666ab5..00000000000 --- a/examples/granular/log.27Jun24.pour.heat.g++.1 +++ /dev/null @@ -1,1167 +0,0 @@ -LAMMPS (27 Jun 2024 - Development - patch_27Jun2024-930-g7036930360) -# pour one types of particles into cylinder and oscillate -# temperature of the bottom plate - -variable name string heat_plate - -atom_style sphere -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 property/atom temperature heatflow -WARNING: Fix property/atom mol, charge, rmass, temperature, or heatflow w/out ghost communication (../fix_property_atom.cpp:205) -fix 1 all balance 100 1.0 shift xy 5 1.1 -fix 2 all nve/sphere -fix 3 all heat/flow 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 -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 - -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 4 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 5 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 - -compute 1 all property/atom temperature heatflow -#dump 1 all custom 1000 ${name}.dump id type radius mass x y z c_1[*] - -run 100000 -Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule -Particle insertion: 594 every 2000 steps, 1000 by step 2001 -Particle insertion: 594 every 2000 steps, 1000 by step 2001 -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/atomonly/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: Fewer insertions than requested (../fix_pour.cpp:688) -WARNING: Fewer insertions than requested (../fix_pour.cpp:688) - 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 - 500 536 -0 0 0 21.669269 - 600 536 -0 0 0 25.794277 - 700 536 -0 0.036728411 0.03359373 24.224864 - 800 536 -0 0.21062609 0.26430303 25.376901 - 900 536 -0 0.26668829 0.20265866 25.658924 - 1000 536 -0 0.39065235 0.60669031 26.763499 - 1100 536 -0 0.69933284 0.71982789 26.225375 - 1200 536 -0 0.41577691 0.42256255 24.911833 - 1300 536 -0 0.34365998 0.63004232 25.749448 - 1400 536 -0 0.91213774 1.2145317 22.920251 - 1500 536 -0 0.54726452 0.897705 22.553668 - 1600 536 -0 0.91615466 0.77555664 21.525841 - 1700 536 -0 1.0051938 0.97676595 20.94176 - 1800 536 -0 1.1478423 1.1773124 20.249603 - 1900 536 -0 1.0337276 0.96821449 21.000233 - 2000 536 -0 1.2071746 1.0543682 19.716919 -WARNING: Fewer insertions than requested (../fix_pour.cpp:688) -WARNING: Fewer insertions than requested (../fix_pour.cpp:688) - 2100 1056 -0 1.6914999 2.1024908 23.300848 - 2200 1056 -0 1.0763038 0.99766028 21.476739 - 2300 1056 -0 1.0060348 1.0881501 22.393655 - 2400 1056 -0 1.8382425 1.8651087 22.523726 - 2500 1056 -0 1.6019099 1.7458938 21.9726 - 2600 1056 -0 2.5819875 2.2467378 20.799104 - 2700 1056 -0 1.3032965 1.3540011 19.306465 - 2800 1056 -0 1.2873026 1.3465203 21.080743 - 2900 1056 -0 2.4437283 2.4546684 21.251491 - 3000 1056 -0 1.6351054 1.7271037 20.721292 - 3100 1056 -0 1.7478858 1.8072961 21.19535 - 3200 1056 -0 2.2476927 2.1239368 21.826835 - 3300 1056 -0 2.3489303 2.4565817 22.530916 - 3400 1056 -0 2.0282765 2.0592858 21.499588 - 3500 1056 -0 2.7289638 2.6145138 22.75168 - 3600 1056 -0 2.4031598 2.3984781 22.577541 - 3700 1056 -0 2.3814822 2.5489609 23.583342 - 3800 1056 -0 2.7238397 2.9213797 22.611132 - 3900 1056 -0 3.2886764 3.3331076 22.231541 - 4000 1056 -0 3.629641 3.5650404 21.326329 -WARNING: Fewer insertions than requested (../fix_pour.cpp:688) - 4100 1550 -0 3.6581253 3.6091037 22.567266 - 4200 1550 -0 3.1703325 3.1201394 21.762369 - 4300 1550 -0 2.7416796 2.6035668 22.903128 - 4400 1550 -0 3.0699015 3.1431528 23.999622 - 4500 1550 -0 3.6196014 3.7017313 24.544985 - 4600 1550 -0 3.6441931 3.6848323 23.75274 - 4700 1550 -0 3.5151562 3.6568247 23.317229 - 4800 1550 -0 4.8761024 4.5587136 22.977859 - 4900 1550 -0 4.3005341 4.4190368 21.679238 - 5000 1550 -0 3.9301352 4.1732564 19.921555 - 5100 1550 -0 3.3296487 3.5432155 19.471996 - 5200 1550 -0 4.0072218 4.1491206 21.012391 - 5300 1550 -0 3.7957463 3.9084427 20.787641 - 5400 1550 -0 3.8598485 3.5535159 20.482895 - 5500 1550 -0 4.4197873 4.6219011 21.727572 - 5600 1550 -0 4.5302978 4.2812429 22.689942 - 5700 1550 -0 4.2916308 4.4059403 21.521813 - 5800 1550 -0 4.6164726 4.480437 21.070154 - 5900 1550 -0 4.675308 4.6550469 20.897123 - 6000 1550 -0 5.0539642 4.979992 20.23696 - 6100 2000 -0 4.9990276 5.1035338 23.26111 - 6200 2000 -0 4.6119285 4.5511599 21.934549 - 6300 2000 -0 5.0774825 4.8160391 23.631839 - 6400 2000 -0 5.7737139 5.9626596 26.069644 - 6500 2000 -0 5.3892569 5.5231249 23.023259 - 6600 2000 -0 5.3886344 5.4872107 21.971442 - 6700 2000 -0 5.7449615 5.8255033 21.783299 - 6800 2000 -0 6.0646923 5.9799121 22.245498 - 6900 2000 -0 5.0057778 4.9285257 20.655013 - 7000 2000 -0 4.6019464 4.8168115 21.333938 - 7100 2000 -0 5.408486 5.4825597 23.456271 - 7200 2000 -0 6.5726796 6.5613098 24.838022 - 7300 2000 -0 6.6530583 6.6594714 21.901974 - 7400 2000 -0 6.5197299 6.5144643 19.805667 - 7500 2000 -0 5.5386627 5.7635754 19.372649 - 7600 2000 -0 5.9167463 6.0747035 19.465497 - 7700 2000 -0 5.5273234 5.6764922 20.063724 - 7800 2000 -0 5.2941089 5.6583351 19.399821 - 7900 2000 -0 6.2127566 6.2730591 20.811689 - 8000 2000 -0 6.2586957 6.3917413 21.181183 - 8100 2000 -0 7.6888419 7.4612645 19.004971 - 8200 2000 -0 6.6978099 6.9641603 15.525389 - 8300 2000 -0 6.2921869 6.4062074 10.845374 - 8400 2000 -0 6.0119354 6.1316484 7.8511123 - 8500 2000 -0 5.1806588 5.303647 6.311854 - 8600 2000 -0 4.6944864 4.7229744 4.9041607 - 8700 2000 -0 4.5019064 4.5329727 4.6795368 - 8800 2000 -0 4.6403273 4.679531 5.3583029 - 8900 2000 -0 4.7461483 4.7714283 5.5728241 - 9000 2000 -0 4.6875927 4.7228285 5.2516801 - 9100 2000 -0 4.6506598 4.6723208 5.1753237 - 9200 2000 -0 4.7038993 4.7334071 5.3953721 - 9300 2000 -0 4.7007404 4.7526162 5.3789411 - 9400 2000 -0 4.6837243 4.7134602 5.2741541 - 9500 2000 -0 4.6941099 4.7190018 5.3740553 - 9600 2000 -0 4.7077487 4.7347507 5.3845442 - 9700 2000 -0 4.6786958 4.7023309 5.2672484 - 9800 2000 -0 4.6894331 4.7131781 5.3005024 - 9900 2000 -0 4.6994526 4.7274671 5.361834 - 10000 2000 -0 4.7030651 4.7237065 5.3238507 - 10100 2000 -0 4.7090801 4.7309366 5.3340736 - 10200 2000 -0 4.7042425 4.725825 5.3426828 - 10300 2000 -0 4.704067 4.7214451 5.3090602 - 10400 2000 -0 4.7061515 4.7336504 5.3149709 - 10500 2000 -0 4.709502 4.7327221 5.354315 - 10600 2000 -0 4.7100093 4.7299141 5.3339651 - 10700 2000 -0 4.7023375 4.721219 5.2924765 - 10800 2000 -0 4.7097181 4.7280991 5.3407703 - 10900 2000 -0 4.7072132 4.7241735 5.3226943 - 11000 2000 -0 4.7008964 4.7225721 5.3067345 - 11100 2000 -0 4.7062982 4.72604 5.3241206 - 11200 2000 -0 4.7078072 4.7273662 5.3241052 - 11300 2000 -0 4.7047129 4.7246072 5.3017292 - 11400 2000 -0 4.7070437 4.7248132 5.3266213 - 11500 2000 -0 4.7074544 4.7270548 5.3233484 - 11600 2000 -0 4.7065379 4.7229341 5.305733 - 11700 2000 -0 4.7084526 4.7254471 5.3166146 - 11800 2000 -0 4.710842 4.7266522 5.3226719 - 11900 2000 -0 4.7102149 4.7269278 5.3085626 - 12000 2000 -0 4.7095586 4.7264181 5.3141177 - 12100 2000 -0 4.711148 4.7283138 5.322567 - 12200 2000 -0 4.709444 4.7258315 5.3087624 - 12300 2000 -0 4.7102522 4.7261502 5.3144278 - 12400 2000 -0 4.7110708 4.7260929 5.3252994 - 12500 2000 -0 4.7096024 4.7256316 5.3116866 - 12600 2000 -0 4.7094944 4.7255543 5.3128415 - 12700 2000 -0 4.7108484 4.7262459 5.3210272 - 12800 2000 -0 4.7107443 4.726967 5.3162115 - 12900 2000 -0 4.7103715 4.7272747 5.3161831 - 13000 2000 -0 4.7111615 4.7274234 5.3195144 - 13100 2000 -0 4.7107115 4.7270934 5.3171955 - 13200 2000 -0 4.7105058 4.7266866 5.3152255 - 13300 2000 -0 4.7111528 4.727238 5.3191341 - 13400 2000 -0 4.7104746 4.7260372 5.3167924 - 13500 2000 -0 4.7099999 4.7255337 5.3124374 - 13600 2000 -0 4.7107353 4.7265814 5.3186421 - 13700 2000 -0 4.7109478 4.7264837 5.3177188 - 13800 2000 -0 4.7100596 4.7258467 5.3139152 - 13900 2000 -0 4.7107621 4.7264007 5.3169692 - 14000 2000 -0 4.7107395 4.7265627 5.3182922 - 14100 2000 -0 4.7103907 4.7260697 5.3143929 - 14200 2000 -0 4.7105034 4.7263416 5.3165362 - 14300 2000 -0 4.7108127 4.7264373 5.3180601 - 14400 2000 -0 4.7103102 4.7261005 5.3149927 - 14500 2000 -0 4.7104753 4.7262846 5.3162597 - 14600 2000 -0 4.710704 4.7264748 5.3177725 - 14700 2000 -0 4.7103244 4.7262026 5.3155505 - 14800 2000 -0 4.7103678 4.7261949 5.3160753 - 14900 2000 -0 4.7105271 4.7263478 5.3173896 - 15000 2000 -0 4.7102922 4.7262017 5.315962 - 15100 2000 -0 4.7102725 4.726208 5.3159691 - 15200 2000 -0 4.7104136 4.7263526 5.3171242 - 15300 2000 -0 4.710264 4.7261979 5.3162196 - 15400 2000 -0 4.7101849 4.7261344 5.315894 - 15500 2000 -0 4.7103291 4.7262597 5.3168688 - 15600 2000 -0 4.710259 4.726233 5.3163792 - 15700 2000 -0 4.7101934 4.7261818 5.315928 - 15800 2000 -0 4.7103083 4.7262548 5.3166994 - 15900 2000 -0 4.7102736 4.7262088 5.3164432 - 16000 2000 -0 4.7102205 4.7261479 5.3159781 - 16100 2000 -0 4.7103292 4.7262465 5.3165618 - 16200 2000 -0 4.7103529 4.7262663 5.3165089 - 16300 2000 -0 4.7103166 4.7262103 5.3160762 - 16400 2000 -0 4.7104019 4.726244 5.3164669 - 16500 2000 -0 4.710446 4.726252 5.3165153 - 16600 2000 -0 4.7104341 4.7262253 5.3161457 - 16700 2000 -0 4.7105191 4.7262831 5.3164131 - 16800 2000 -0 4.7105753 4.7263084 5.3165176 - 16900 2000 -0 4.7105631 4.7262594 5.3162034 - 17000 2000 -0 4.7106131 4.7262665 5.3163428 - 17100 2000 -0 4.7106604 4.7262905 5.3164636 - 17200 2000 -0 4.7106547 4.7262781 5.3162311 - 17300 2000 -0 4.7106852 4.7262949 5.3162973 - 17400 2000 -0 4.7107163 4.7263038 5.3164158 - 17500 2000 -0 4.7106985 4.7262671 5.3162357 - 17600 2000 -0 4.7107075 4.7262644 5.3162458 - 17700 2000 -0 4.710735 4.72629 5.3163664 - 17800 2000 -0 4.7107256 4.7262866 5.3162536 - 17900 2000 -0 4.710726 4.7262831 5.3162384 - 18000 2000 -0 4.7107392 4.7262854 5.3163383 - 18100 2000 -0 4.7107256 4.7262696 5.3162644 - 18200 2000 -0 4.7107194 4.7262707 5.3162396 - 18300 2000 -0 4.7107304 4.7262929 5.3163322 - 18400 2000 -0 4.7107138 4.7262906 5.3162972 - 18500 2000 -0 4.7106926 4.7262783 5.3162615 - 18600 2000 -0 4.7106787 4.7262738 5.3163258 - 18700 2000 -0 4.7106515 4.7262672 5.3163085 - 18800 2000 -0 4.7106197 4.7262643 5.3162732 - 18900 2000 -0 4.7105961 4.7262691 5.3163197 - 19000 2000 -0 4.7105612 4.7262576 5.316309 - 19100 2000 -0 4.7105201 4.7262362 5.3162634 - 19200 2000 -0 4.7104918 4.7262275 5.3162855 - 19300 2000 -0 4.7104649 4.7262324 5.3162818 - 19400 2000 -0 4.7104396 4.7262192 5.3162447 - 19500 2000 -0 4.7104236 4.7262151 5.3162575 - 19600 2000 -0 4.7104091 4.7262051 5.3162561 - 19700 2000 -0 4.7103951 4.7261932 5.3162232 - 19800 2000 -0 4.7103936 4.7261935 5.3162311 - 19900 2000 -0 4.7103982 4.7261999 5.3162407 - 20000 2000 -0 4.7104029 4.7262015 5.3162218 - 20100 2000 -0 4.7104142 4.726202 5.3162267 - 20200 2000 -0 4.7104309 4.7262027 5.3162368 - 20300 2000 -0 4.7104504 4.7262057 5.3162258 - 20400 2000 -0 4.7104786 4.7262187 5.3162333 - 20500 2000 -0 4.7105134 4.7262302 5.3162478 - 20600 2000 -0 4.7105482 4.7262372 5.3162423 - 20700 2000 -0 4.7105864 4.7262404 5.3162515 - 20800 2000 -0 4.7106261 4.7262471 5.3162596 - 20900 2000 -0 4.7106689 4.7262579 5.316255 - 21000 2000 -0 4.7107034 4.7262671 5.3162507 - 21100 2000 -0 4.7107384 4.7262744 5.3162497 - 21200 2000 -0 4.7107672 4.7262748 5.3162382 - 21300 2000 -0 4.7107906 4.7262732 5.3162256 - 21400 2000 -0 4.7108106 4.7262742 5.3162189 - 21500 2000 -0 4.7108265 4.7262767 5.3162088 - 21600 2000 -0 4.7108382 4.7262821 5.3161979 - 21700 2000 -0 4.7108471 4.7262761 5.3161924 - 21800 2000 -0 4.7108526 4.7262726 5.3161843 - 21900 2000 -0 4.7108564 4.7262706 5.3161772 - 22000 2000 -0 4.7108602 4.7262724 5.316177 - 22100 2000 -0 4.7108625 4.7262751 5.3161775 - 22200 2000 -0 4.7108622 4.7262758 5.3161772 - 22300 2000 -0 4.7108596 4.7262749 5.3161806 - 22400 2000 -0 4.7108543 4.726274 5.3161846 - 22500 2000 -0 4.7108459 4.7262746 5.3161884 - 22600 2000 -0 4.7108343 4.7262762 5.3161948 - 22700 2000 -0 4.7108179 4.7262758 5.3162001 - 22800 2000 -0 4.7107957 4.7262716 5.3162015 - 22900 2000 -0 4.710769 4.7262654 5.3162017 - 23000 2000 -0 4.7107389 4.726259 5.3162004 - 23100 2000 -0 4.7107066 4.7262529 5.3161958 - 23200 2000 -0 4.7106737 4.726246 5.3161897 - 23300 2000 -0 4.7106415 4.7262372 5.3161816 - 23400 2000 -0 4.7106114 4.7262271 5.3161708 - 23500 2000 -0 4.7105855 4.7262183 5.31616 - 23600 2000 -0 4.7105648 4.7262119 5.3161507 - 23700 2000 -0 4.7105493 4.7262074 5.3161415 - 23800 2000 -0 4.7105388 4.7262036 5.3161333 - 23900 2000 -0 4.7105332 4.7262001 5.3161266 - 24000 2000 -0 4.7105324 4.726198 5.3161208 - 24100 2000 -0 4.7105379 4.7261987 5.3161176 - 24200 2000 -0 4.7105467 4.7262021 5.3161163 - 24300 2000 -0 4.7105614 4.7262068 5.3161163 - 24400 2000 -0 4.7105809 4.7262121 5.3161172 - 24500 2000 -0 4.7106056 4.7262183 5.3161194 - 24600 2000 -0 4.7106355 4.7262261 5.3161222 - 24700 2000 -0 4.7106703 4.7262357 5.3161253 - 24800 2000 -0 4.7107088 4.7262461 5.3161282 - 24900 2000 -0 4.7107493 4.7262556 5.3161293 - 25000 2000 -0 4.7107901 4.7262637 5.3161281 - 25100 2000 -0 4.7108296 4.7262709 5.3161249 - 25200 2000 -0 4.7108664 4.7262775 5.3161194 - 25300 2000 -0 4.7108991 4.7262828 5.3161118 - 25400 2000 -0 4.7109269 4.7262863 5.3161024 - 25500 2000 -0 4.7109494 4.7262877 5.3160916 - 25600 2000 -0 4.7109671 4.7262877 5.3160803 - 25700 2000 -0 4.7109809 4.7262876 5.3160696 - 25800 2000 -0 4.7109916 4.7262876 5.3160602 - 25900 2000 -0 4.7109995 4.7262877 5.3160521 - 26000 2000 -0 4.7110054 4.7262875 5.3160457 - 26100 2000 -0 4.7110094 4.7262874 5.3160411 - 26200 2000 -0 4.7110117 4.7262882 5.3160388 - 26300 2000 -0 4.7110127 4.7262891 5.3160382 - 26400 2000 -0 4.7110121 4.7262905 5.31604 - 26500 2000 -0 4.711009 4.7262915 5.316043 - 26600 2000 -0 4.7110027 4.7262919 5.3160469 - 26700 2000 -0 4.7109927 4.7262915 5.3160515 - 26800 2000 -0 4.7109782 4.7262906 5.3160561 - 26900 2000 -0 4.710959 4.7262886 5.3160598 - 27000 2000 -0 4.7109348 4.7262851 5.316062 - 27100 2000 -0 4.7109061 4.7262796 5.3160619 - 27200 2000 -0 4.7108739 4.7262724 5.3160591 - 27300 2000 -0 4.7108401 4.7262642 5.316054 - 27400 2000 -0 4.7108063 4.7262557 5.316047 - 27500 2000 -0 4.7107742 4.7262471 5.3160385 - 27600 2000 -0 4.7107453 4.7262385 5.3160291 - 27700 2000 -0 4.7107206 4.7262304 5.3160195 - 27800 2000 -0 4.7107008 4.7262235 5.3160103 - 27900 2000 -0 4.7106863 4.7262182 5.3160023 - 28000 2000 -0 4.710677 4.7262146 5.3159957 - 28100 2000 -0 4.7106727 4.7262125 5.3159906 - 28200 2000 -0 4.7106733 4.7262119 5.3159871 - 28300 2000 -0 4.7106787 4.7262128 5.3159853 - 28400 2000 -0 4.7106892 4.7262156 5.3159852 - 28500 2000 -0 4.7107048 4.7262212 5.3159867 - 28600 2000 -0 4.7107257 4.7262261 5.3159896 - 28700 2000 -0 4.7107517 4.7262335 5.3159932 - 28800 2000 -0 4.7107826 4.7262417 5.3159971 - 28900 2000 -0 4.7108219 4.7262521 5.3160015 - 29000 2000 -0 4.7108561 4.7262597 5.3160038 - 29100 2000 -0 4.7108958 4.7262689 5.3160052 - 29200 2000 -0 4.7109361 4.7262771 5.3160045 - 29300 2000 -0 4.7109728 4.7262838 5.3160011 - 29400 2000 -0 4.7110067 4.7262889 5.3159955 - 29500 2000 -0 4.711036 4.7262925 5.3159877 - 29600 2000 -0 4.7110603 4.7262948 5.3159785 - 29700 2000 -0 4.7110799 4.7262957 5.3159685 - 29800 2000 -0 4.7110949 4.7262956 5.3159584 - 29900 2000 -0 4.7111061 4.7262949 5.3159489 - 30000 2000 -0 4.7111143 4.7262941 5.3159407 - 30100 2000 -0 4.7111193 4.7262933 5.3159341 - 30200 2000 -0 4.7111243 4.7262932 5.3159294 - 30300 2000 -0 4.7111269 4.7262935 5.3159266 - 30400 2000 -0 4.711128 4.7262936 5.3159258 - 30500 2000 -0 4.7111275 4.7262944 5.3159269 - 30600 2000 -0 4.711125 4.7262955 5.3159298 - 30700 2000 -0 4.7111199 4.7262965 5.3159342 - 30800 2000 -0 4.7111114 4.726297 5.3159393 - 30900 2000 -0 4.7110988 4.7262967 5.3159447 - 31000 2000 -0 4.7110815 4.7262952 5.3159497 - 31100 2000 -0 4.7110595 4.7262923 5.3159535 - 31200 2000 -0 4.7110323 4.726288 5.3159553 - 31300 2000 -0 4.7110013 4.726282 5.3159549 - 31400 2000 -0 4.7109675 4.7262747 5.3159519 - 31500 2000 -0 4.7109327 4.7262663 5.3159466 - 31600 2000 -0 4.7108986 4.7262575 5.3159394 - 31700 2000 -0 4.710867 4.7262487 5.315931 - 31800 2000 -0 4.7108391 4.7262405 5.3159221 - 31900 2000 -0 4.7108159 4.7262331 5.3159133 - 32000 2000 -0 4.7107977 4.726227 5.3159052 - 32100 2000 -0 4.710785 4.7262223 5.3158983 - 32200 2000 -0 4.710777 4.7262191 5.3158927 - 32300 2000 -0 4.7107748 4.7262178 5.3158888 - 32400 2000 -0 4.7107773 4.7262181 5.3158866 - 32500 2000 -0 4.7107837 4.7262199 5.3158861 - 32600 2000 -0 4.7107949 4.7262234 5.3158872 - 32700 2000 -0 4.710812 4.7262285 5.3158898 - 32800 2000 -0 4.7108346 4.7262358 5.3158935 - 32900 2000 -0 4.7108627 4.7262432 5.3158979 - 33000 2000 -0 4.7108948 4.7262519 5.3159023 - 33100 2000 -0 4.7109317 4.7262609 5.3159063 - 33200 2000 -0 4.7109705 4.7262703 5.3159091 - 33300 2000 -0 4.7110099 4.7262791 5.3159101 - 33400 2000 -0 4.7110481 4.7262867 5.3159088 - 33500 2000 -0 4.7110833 4.726293 5.3159051 - 33600 2000 -0 4.7111146 4.7262976 5.3158989 - 33700 2000 -0 4.7111412 4.7263004 5.3158909 - 33800 2000 -0 4.7111628 4.7263019 5.3158816 - 33900 2000 -0 4.7111797 4.7263023 5.3158719 - 34000 2000 -0 4.7111926 4.7263021 5.3158624 - 34100 2000 -0 4.7112021 4.7263014 5.3158538 - 34200 2000 -0 4.7112089 4.7263006 5.3158466 - 34300 2000 -0 4.7112136 4.7263001 5.3158411 - 34400 2000 -0 4.7112166 4.7262999 5.3158375 - 34500 2000 -0 4.7112182 4.7263002 5.3158359 - 34600 2000 -0 4.7112183 4.7263009 5.3158363 - 34700 2000 -0 4.7112167 4.7263019 5.3158385 - 34800 2000 -0 4.7112128 4.726303 5.3158423 - 34900 2000 -0 4.711206 4.7263038 5.3158473 - 35000 2000 -0 4.7111956 4.7263041 5.315853 - 35100 2000 -0 4.7111808 4.7263035 5.3158586 - 35200 2000 -0 4.7111612 4.7263016 5.3158636 - 35300 2000 -0 4.7111367 4.7262982 5.315867 - 35400 2000 -0 4.7111076 4.7262939 5.3158682 - 35500 2000 -0 4.711075 4.7262874 5.3158674 - 35600 2000 -0 4.7110402 4.726279 5.3158635 - 35700 2000 -0 4.7110052 4.7262704 5.3158577 - 35800 2000 -0 4.7109715 4.7262616 5.3158502 - 35900 2000 -0 4.7109409 4.726253 5.3158418 - 36000 2000 -0 4.7109144 4.7262451 5.3158331 - 36100 2000 -0 4.7108927 4.7262382 5.3158248 - 36200 2000 -0 4.7108762 4.7262327 5.3158173 - 36300 2000 -0 4.7108649 4.7262287 5.3158111 - 36400 2000 -0 4.7108587 4.7262271 5.3158065 - 36500 2000 -0 4.7108574 4.7262255 5.3158035 - 36600 2000 -0 4.710861 4.7262264 5.3158022 - 36700 2000 -0 4.7108696 4.726229 5.3158026 - 36800 2000 -0 4.7108832 4.7262332 5.3158045 - 36900 2000 -0 4.7109021 4.7262389 5.3158078 - 37000 2000 -0 4.7109262 4.726246 5.315812 - 37100 2000 -0 4.7109553 4.7262543 5.3158168 - 37200 2000 -0 4.7109889 4.7262632 5.3158214 - 37300 2000 -0 4.7110258 4.7262726 5.3158253 - 37400 2000 -0 4.7110646 4.7262817 5.3158277 - 37500 2000 -0 4.7111043 4.7262909 5.3158284 - 37600 2000 -0 4.7111414 4.7262979 5.3158264 - 37700 2000 -0 4.7111756 4.7263035 5.315822 - 37800 2000 -0 4.7112054 4.7263076 5.3158153 - 37900 2000 -0 4.7112301 4.7263101 5.3158068 - 38000 2000 -0 4.7112498 4.7263113 5.3157976 - 38100 2000 -0 4.711265 4.7263115 5.3157881 - 38200 2000 -0 4.7112763 4.726311 5.315779 - 38300 2000 -0 4.7112845 4.7263104 5.3157711 - 38400 2000 -0 4.7112902 4.7263097 5.3157647 - 38500 2000 -0 4.7112939 4.7263093 5.31576 - 38600 2000 -0 4.7112962 4.7263094 5.3157573 - 38700 2000 -0 4.711297 4.7263099 5.3157567 - 38800 2000 -0 4.7112963 4.7263107 5.3157579 - 38900 2000 -0 4.7112937 4.7263118 5.315761 - 39000 2000 -0 4.7112886 4.7263129 5.3157655 - 39100 2000 -0 4.7112804 4.7263136 5.3157709 - 39200 2000 -0 4.7112682 4.7263137 5.3157769 - 39300 2000 -0 4.7112515 4.7263127 5.3157826 - 39400 2000 -0 4.71123 4.7263103 5.3157872 - 39500 2000 -0 4.7112035 4.7263063 5.31579 - 39600 2000 -0 4.7111728 4.7263008 5.3157907 - 39700 2000 -0 4.711139 4.7262939 5.3157887 - 39800 2000 -0 4.7111037 4.7262859 5.3157844 - 39900 2000 -0 4.7110687 4.7262772 5.3157781 - 40000 2000 -0 4.7110358 4.7262685 5.3157704 - 40100 2000 -0 4.7110064 4.7262601 5.3157619 - 40200 2000 -0 4.7109813 4.7262525 5.3157535 - 40300 2000 -0 4.7109613 4.7262462 5.3157456 - 40400 2000 -0 4.7109465 4.7262412 5.3157387 - 40500 2000 -0 4.7109368 4.7262378 5.3157332 - 40600 2000 -0 4.7109321 4.726236 5.3157293 - 40700 2000 -0 4.7109324 4.7262358 5.315727 - 40800 2000 -0 4.7109375 4.7262374 5.3157264 - 40900 2000 -0 4.7109477 4.7262406 5.3157276 - 41000 2000 -0 4.7109629 4.7262454 5.3157302 - 41100 2000 -0 4.7109834 4.7262517 5.3157339 - 41200 2000 -0 4.7110092 4.7262592 5.3157386 - 41300 2000 -0 4.7110397 4.7262678 5.3157435 - 41400 2000 -0 4.7110744 4.726277 5.3157481 - 41500 2000 -0 4.711112 4.7262863 5.3157517 - 41600 2000 -0 4.7111509 4.7262953 5.3157536 - 41700 2000 -0 4.7111892 4.7263034 5.3157532 - 41800 2000 -0 4.7112253 4.7263101 5.3157504 - 41900 2000 -0 4.7112578 4.7263153 5.3157453 - 42000 2000 -0 4.7112856 4.7263188 5.315738 - 42100 2000 -0 4.7113084 4.7263209 5.3157294 - 42200 2000 -0 4.7113263 4.7263217 5.31572 - 42300 2000 -0 4.7113399 4.7263217 5.3157107 - 42400 2000 -0 4.7113499 4.7263212 5.3157021 - 42500 2000 -0 4.7113569 4.7263205 5.3156948 - 42600 2000 -0 4.7113617 4.7263199 5.3156891 - 42700 2000 -0 4.7113648 4.7263197 5.3156852 - 42800 2000 -0 4.7113664 4.7263199 5.3156833 - 42900 2000 -0 4.7113666 4.7263206 5.3156835 - 43000 2000 -0 4.7113652 4.7263216 5.3156855 - 43100 2000 -0 4.7113616 4.7263228 5.3156891 - 43200 2000 -0 4.7113555 4.7263238 5.3156942 - 43300 2000 -0 4.7113458 4.7263244 5.3157 - 43400 2000 -0 4.7113321 4.7263241 5.315706 - 43500 2000 -0 4.7113137 4.7263227 5.3157116 - 43600 2000 -0 4.7112903 4.7263199 5.3157158 - 43700 2000 -0 4.7112621 4.7263155 5.3157181 - 43800 2000 -0 4.7112301 4.7263095 5.315718 - 43900 2000 -0 4.7111955 4.7263022 5.3157154 - 44000 2000 -0 4.71116 4.7262939 5.3157104 - 44100 2000 -0 4.7111254 4.7262852 5.3157037 - 44200 2000 -0 4.7110933 4.7262765 5.3156958 - 44300 2000 -0 4.7110651 4.7262684 5.3156873 - 44400 2000 -0 4.7110416 4.7262613 5.3156791 - 44500 2000 -0 4.7110231 4.7262554 5.3156716 - 44600 2000 -0 4.7110098 4.7262509 5.3156652 - 44700 2000 -0 4.7110017 4.726248 5.3156603 - 44800 2000 -0 4.7109984 4.7262468 5.315657 - 44900 2000 -0 4.7110001 4.7262473 5.3156554 - 45000 2000 -0 4.7110067 4.7262494 5.3156555 - 45100 2000 -0 4.7110184 4.7262532 5.3156573 - 45200 2000 -0 4.7110351 4.7262585 5.3156604 - 45300 2000 -0 4.7110572 4.7262652 5.3156645 - 45400 2000 -0 4.7110844 4.7262732 5.3156695 - 45500 2000 -0 4.7111163 4.726282 5.3156745 - 45600 2000 -0 4.7111519 4.7262913 5.3156789 - 45700 2000 -0 4.7111899 4.7263006 5.3156821 - 45800 2000 -0 4.7112287 4.7263093 5.3156834 - 45900 2000 -0 4.7112664 4.7263171 5.3156824 - 46000 2000 -0 4.7113014 4.7263234 5.315679 - 46100 2000 -0 4.7113323 4.726328 5.3156732 - 46200 2000 -0 4.7113584 4.7263312 5.3156655 - 46300 2000 -0 4.7113795 4.7263328 5.3156566 - 46400 2000 -0 4.7113959 4.7263333 5.3156473 - 46500 2000 -0 4.7114081 4.7263331 5.3156382 - 46600 2000 -0 4.711417 4.7263325 5.3156301 - 46700 2000 -0 4.7114231 4.7263319 5.3156233 - 46800 2000 -0 4.7114273 4.7263314 5.3156182 - 46900 2000 -0 4.7114297 4.7263314 5.3156151 - 47000 2000 -0 4.7114308 4.7263317 5.3156139 - 47100 2000 -0 4.7114304 4.7263325 5.3156147 - 47200 2000 -0 4.7114283 4.7263336 5.3156173 - 47300 2000 -0 4.7114239 4.7263348 5.3156216 - 47400 2000 -0 4.7114167 4.7263358 5.315627 - 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80600 2000 -0 4.7118487 4.7264589 5.3151322 - 80700 2000 -0 4.7118456 4.7264602 5.3151357 - 80800 2000 -0 4.7118401 4.7264616 5.3151407 - 80900 2000 -0 4.7118314 4.7264626 5.3151467 - 81000 2000 -0 4.7118189 4.7264629 5.3151532 - 81100 2000 -0 4.7118019 4.7264622 5.3151594 - 81200 2000 -0 4.7117801 4.7264601 5.3151646 - 81300 2000 -0 4.7117533 4.7264565 5.3151681 - 81400 2000 -0 4.7117222 4.7264513 5.3151694 - 81500 2000 -0 4.711688 4.7264446 5.3151682 - 81600 2000 -0 4.7116526 4.7264373 5.3151642 - 81700 2000 -0 4.7116166 4.7264285 5.3151589 - 81800 2000 -0 4.7115828 4.7264198 5.3151514 - 81900 2000 -0 4.7115524 4.7264116 5.3151435 - 82000 2000 -0 4.7115264 4.7264041 5.3151355 - 82100 2000 -0 4.7115053 4.7263978 5.3151278 - 82200 2000 -0 4.7114894 4.7263928 5.3151212 - 82300 2000 -0 4.7114786 4.7263894 5.315116 - 82400 2000 -0 4.7114728 4.7263875 5.3151123 - 82500 2000 -0 4.7114717 4.7263874 5.3151102 - 82600 2000 -0 4.7114755 4.7263888 5.3151098 - 82700 2000 -0 4.7114842 4.726392 5.3151111 - 82800 2000 -0 4.7114979 4.7263967 5.3151139 - 82900 2000 -0 4.7115168 4.7264029 5.315118 - 83000 2000 -0 4.7115409 4.7264104 5.3151229 - 83100 2000 -0 4.71157 4.7264189 5.3151283 - 83200 2000 -0 4.7116033 4.7264282 5.3151335 - 83300 2000 -0 4.7116398 4.7264377 5.3151378 - 83400 2000 -0 4.711678 4.726447 5.3151405 - 83500 2000 -0 4.7117161 4.7264555 5.3151411 - 83600 2000 -0 4.7117523 4.7264627 5.3151393 - 83700 2000 -0 4.7117851 4.7264684 5.315135 - 83800 2000 -0 4.7118134 4.7264724 5.3151286 - 83900 2000 -0 4.7118369 4.7264749 5.3151206 - 84000 2000 -0 4.7118553 4.7264762 5.3151117 - 84100 2000 -0 4.7118694 4.7264764 5.3151026 - 84200 2000 -0 4.7118796 4.7264761 5.3150941 - 84300 2000 -0 4.7118867 4.7264755 5.3150868 - 84400 2000 -0 4.7118915 4.7264751 5.3150809 - 84500 2000 -0 4.7118945 4.7264749 5.3150769 - 84600 2000 -0 4.711896 4.7264751 5.3150748 - 84700 2000 -0 4.7118961 4.7264758 5.3150747 - 84800 2000 -0 4.7118948 4.7264769 5.3150765 - 84900 2000 -0 4.7118916 4.7264783 5.3150801 - 85000 2000 -0 4.711886 4.7264796 5.3150851 - 85100 2000 -0 4.7118772 4.7264806 5.3150912 - 85200 2000 -0 4.7118646 4.7264809 5.3150977 - 85300 2000 -0 4.7118475 4.7264802 5.3151039 - 85400 2000 -0 4.7118254 4.7264781 5.3151091 - 85500 2000 -0 4.7117985 4.7264744 5.3151126 - 85600 2000 -0 4.7117674 4.7264692 5.3151138 - 85700 2000 -0 4.7117331 4.7264625 5.3151125 - 85800 2000 -0 4.7116972 4.7264548 5.3151088 - 85900 2000 -0 4.7116616 4.7264463 5.315103 - 86000 2000 -0 4.7116279 4.7264377 5.3150958 - 86100 2000 -0 4.7115976 4.7264295 5.3150878 - 86200 2000 -0 4.7115716 4.7264221 5.3150798 - 86300 2000 -0 4.7115507 4.7264158 5.3150722 - 86400 2000 -0 4.7115348 4.7264108 5.3150657 - 86500 2000 -0 4.7115241 4.7264074 5.3150604 - 86600 2000 -0 4.7115183 4.7264056 5.3150568 - 86700 2000 -0 4.7115173 4.7264055 5.3150547 - 86800 2000 -0 4.7115211 4.726407 5.3150543 - 86900 2000 -0 4.7115299 4.7264101 5.3150557 - 87000 2000 -0 4.7115436 4.7264149 5.3150586 - 87100 2000 -0 4.7115626 4.7264211 5.3150626 - 87200 2000 -0 4.7115867 4.7264286 5.3150676 - 87300 2000 -0 4.7116158 4.7264372 5.3150731 - 87400 2000 -0 4.7116491 4.7264465 5.3150782 - 87500 2000 -0 4.7116856 4.726456 5.3150825 - 87600 2000 -0 4.7117238 4.7264653 5.3150853 - 87700 2000 -0 4.7117618 4.7264737 5.3150859 - 87800 2000 -0 4.7117979 4.7264809 5.315084 - 87900 2000 -0 4.7118307 4.7264866 5.3150798 - 88000 2000 -0 4.711859 4.7264907 5.3150733 - 88100 2000 -0 4.7118824 4.7264932 5.3150653 - 88200 2000 -0 4.7119008 4.7264944 5.3150564 - 88300 2000 -0 4.7119148 4.7264947 5.3150474 - 88400 2000 -0 4.711925 4.7264943 5.3150389 - 88500 2000 -0 4.7119321 4.7264938 5.3150316 - 88600 2000 -0 4.7119368 4.7264933 5.3150257 - 88700 2000 -0 4.7119398 4.7264931 5.3150217 - 88800 2000 -0 4.7119412 4.7264934 5.3150196 - 88900 2000 -0 4.7119414 4.7264941 5.3150196 - 89000 2000 -0 4.71194 4.7264952 5.3150214 - 89100 2000 -0 4.7119368 4.7264965 5.315025 - 89200 2000 -0 4.7119312 4.7264979 5.31503 - 89300 2000 -0 4.7119225 4.7264989 5.3150361 - 89400 2000 -0 4.7119099 4.7264992 5.3150426 - 89500 2000 -0 4.7118928 4.7264985 5.3150489 - 89600 2000 -0 4.7118708 4.7264964 5.3150541 - 89700 2000 -0 4.7118439 4.7264928 5.3150576 - 89800 2000 -0 4.7118127 4.7264876 5.3150589 - 89900 2000 -0 4.7117784 4.726481 5.3150576 - 90000 2000 -0 4.7117426 4.7264732 5.315054 - 90100 2000 -0 4.7117069 4.7264647 5.3150482 - 90200 2000 -0 4.7116732 4.7264562 5.315041 - 90300 2000 -0 4.7116428 4.7264479 5.3150331 - 90400 2000 -0 4.7116168 4.7264405 5.315025 - 90500 2000 -0 4.7115958 4.7264342 5.3150175 - 90600 2000 -0 4.7115798 4.7264292 5.3150109 - 90700 2000 -0 4.711569 4.7264258 5.3150057 - 90800 2000 -0 4.7115631 4.726424 5.315002 - 90900 2000 -0 4.711562 4.7264238 5.3149999 - 91000 2000 -0 4.7115658 4.7264253 5.3149995 - 91100 2000 -0 4.7115744 4.7264284 5.3150009 - 91200 2000 -0 4.711588 4.7264331 5.3150037 - 91300 2000 -0 4.7116068 4.7264393 5.3150078 - 91400 2000 -0 4.7116299 4.7264468 5.3150128 - 91500 2000 -0 4.7116598 4.7264554 5.3150182 - 91600 2000 -0 4.711693 4.7264647 5.3150234 - 91700 2000 -0 4.7117294 4.7264742 5.3150278 - 91800 2000 -0 4.7117675 4.7264835 5.3150306 - 91900 2000 -0 4.7118056 4.726492 5.3150313 - 92000 2000 -0 4.7118418 4.7264992 5.3150295 - 92100 2000 -0 4.7118746 4.726505 5.3150253 - 92200 2000 -0 4.711903 4.7265091 5.3150189 - 92300 2000 -0 4.7119265 4.7265116 5.3150109 - 92400 2000 -0 4.711945 4.7265129 5.3150021 - 92500 2000 -0 4.7119591 4.7265131 5.3149931 - 92600 2000 -0 4.7119693 4.7265128 5.3149846 - 92700 2000 -0 4.7119765 4.7265123 5.3149772 - 92800 2000 -0 4.7119813 4.7265118 5.3149713 - 92900 2000 -0 4.7119842 4.7265116 5.3149673 - 93000 2000 -0 4.7119858 4.7265118 5.3149651 - 93100 2000 -0 4.7119859 4.7265125 5.314965 - 93200 2000 -0 4.7119846 4.7265136 5.3149668 - 93300 2000 -0 4.7119815 4.726515 5.3149703 - 93400 2000 -0 4.711976 4.7265163 5.3149754 - 93500 2000 -0 4.7119674 4.7265174 5.3149814 - 93600 2000 -0 4.7119549 4.7265177 5.3149879 - 93700 2000 -0 4.711938 4.7265171 5.3149942 - 93800 2000 -0 4.7119162 4.7265151 5.3149996 - 93900 2000 -0 4.7118894 4.7265116 5.3150031 - 94000 2000 -0 4.7118584 4.7265064 5.3150045 - 94100 2000 -0 4.7118242 4.7264998 5.3150034 - 94200 2000 -0 4.7117884 4.7264921 5.3149998 - 94300 2000 -0 4.7117526 4.7264837 5.3149942 - 94400 2000 -0 4.7117188 4.7264751 5.3149871 - 94500 2000 -0 4.7116882 4.7264669 5.3149791 - 94600 2000 -0 4.711662 4.7264594 5.3149711 - 94700 2000 -0 4.7116407 4.726453 5.3149635 - 94800 2000 -0 4.7116246 4.726448 5.3149569 - 94900 2000 -0 4.7116135 4.7264445 5.3149516 - 95000 2000 -0 4.7116074 4.7264426 5.3149479 - 95100 2000 -0 4.711606 4.7264424 5.3149458 - 95200 2000 -0 4.7116095 4.7264438 5.3149452 - 95300 2000 -0 4.7116179 4.7264469 5.3149466 - 95400 2000 -0 4.7116312 4.7264515 5.3149494 - 95500 2000 -0 4.7116497 4.7264576 5.3149533 - 95600 2000 -0 4.7116734 4.7264651 5.3149583 - 95700 2000 -0 4.7117021 4.7264736 5.3149638 - 95800 2000 -0 4.7117351 4.7264829 5.314969 - 95900 2000 -0 4.7117714 4.7264924 5.3149734 - 96000 2000 -0 4.7118094 4.7265017 5.3149763 - 96100 2000 -0 4.7118475 4.7265103 5.3149771 - 96200 2000 -0 4.7118839 4.7265176 5.3149755 - 96300 2000 -0 4.711917 4.7265235 5.3149714 - 96400 2000 -0 4.7119457 4.7265277 5.3149651 - 96500 2000 -0 4.7119694 4.7265303 5.3149572 - 96600 2000 -0 4.7119882 4.7265316 5.3149483 - 96700 2000 -0 4.7120026 4.726532 5.3149393 - 96800 2000 -0 4.712013 4.7265317 5.3149307 - 96900 2000 -0 4.7120203 4.7265311 5.3149232 - 97000 2000 -0 4.7120253 4.7265307 5.3149172 - 97100 2000 -0 4.7120283 4.7265304 5.314913 - 97200 2000 -0 4.71203 4.7265306 5.3149107 - 97300 2000 -0 4.7120303 4.7265313 5.3149105 - 97400 2000 -0 4.7120291 4.7265324 5.3149121 - 97500 2000 -0 4.7120261 4.7265338 5.3149155 - 97600 2000 -0 4.7120208 4.7265351 5.3149204 - 97700 2000 -0 4.7120125 4.7265362 5.3149264 - 97800 2000 -0 4.7120003 4.7265367 5.3149329 - 97900 2000 -0 4.7119838 4.7265361 5.3149392 - 98000 2000 -0 4.7119623 4.7265342 5.3149446 - 98100 2000 -0 4.711936 4.7265308 5.3149483 - 98200 2000 -0 4.7119052 4.7265258 5.3149499 - 98300 2000 -0 4.7118712 4.7265194 5.3149489 - 98400 2000 -0 4.7118355 4.7265117 5.3149454 - 98500 2000 -0 4.7117997 4.7265033 5.3149399 - 98600 2000 -0 4.7117657 4.7264948 5.3149329 - 98700 2000 -0 4.7117349 4.7264865 5.3149249 - 98800 2000 -0 4.7117083 4.7264789 5.3149168 - 98900 2000 -0 4.7116867 4.7264725 5.3149092 - 99000 2000 -0 4.7116701 4.7264674 5.3149024 - 99100 2000 -0 4.7116587 4.7264638 5.314897 - 99200 2000 -0 4.7116522 4.7264618 5.3148931 - 99300 2000 -0 4.7116505 4.7264615 5.3148909 - 99400 2000 -0 4.7116535 4.7264628 5.3148901 - 99500 2000 -0 4.7116615 4.7264657 5.3148914 - 99600 2000 -0 4.7116745 4.7264702 5.314894 - 99700 2000 -0 4.7116925 4.7264763 5.3148978 - 99800 2000 -0 4.7117158 4.7264836 5.3149028 - 99900 2000 -0 4.7117441 4.7264921 5.3149082 - 100000 2000 -0 4.7117767 4.7265013 5.3149134 -Loop time of 81.8199 on 1 procs for 100000 steps with 2000 atoms - -Performance: 105597.755 tau/day, 1222.196 timesteps/s, 2.444 Matom-step/s -99.7% CPU use with 1 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 60.627 | 60.627 | 60.627 | 0.0 | 74.10 -Neigh | 3.677 | 3.677 | 3.677 | 0.0 | 4.49 -Comm | 1.2623 | 1.2623 | 1.2623 | 0.0 | 1.54 -Output | 0.022348 | 0.022348 | 0.022348 | 0.0 | 0.03 -Modify | 15.673 | 15.673 | 15.673 | 0.0 | 19.15 -Other | | 0.5582 | | | 0.68 - -Nlocal: 2000 ave 2000 max 2000 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 520 ave 520 max 520 min -Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 9693 ave 9693 max 9693 min -Histogram: 1 0 0 0 0 0 0 0 0 0 - -Total # of neighbors = 9693 -Ave neighs/atom = 4.8465 -Neighbor list builds = 5282 -Dangerous builds = 0 - -Total wall time: 0:01:21 diff --git a/examples/granular/log.27Jun24.pour.heat.g++.4 b/examples/granular/log.27Jun24.pour.heat.g++.4 deleted file mode 100644 index 774ce25b45d..00000000000 --- a/examples/granular/log.27Jun24.pour.heat.g++.4 +++ /dev/null @@ -1,1167 +0,0 @@ -LAMMPS (27 Jun 2024 - Development - patch_27Jun2024-930-g7036930360) -# pour one types of particles into cylinder and oscillate -# temperature of the bottom plate - -variable name string heat_plate - -atom_style sphere -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 property/atom temperature heatflow -WARNING: Fix property/atom mol, charge, rmass, temperature, or heatflow w/out ghost communication (../fix_property_atom.cpp:205) -fix 1 all balance 100 1.0 shift xy 5 1.1 -fix 2 all nve/sphere -fix 3 all heat/flow 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 -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 - -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 4 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 5 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 - -compute 1 all property/atom temperature heatflow -#dump 1 all custom 1000 ${name}.dump id type radius mass x y z c_1[*] - -run 100000 -Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule -Particle insertion: 594 every 2000 steps, 1000 by step 2001 -Particle insertion: 594 every 2000 steps, 1000 by step 2001 -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/atomonly/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: Fewer insertions than requested (../fix_pour.cpp:688) -WARNING: Fewer insertions than requested (../fix_pour.cpp:688) - 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 - 500 536 -0 0 0 21.669269 - 600 536 -0 0 0 25.794277 - 700 536 -0 0.036728411 0.03359373 24.224864 - 800 536 -0 0.21062609 0.26430303 25.376901 - 900 536 -0 0.26668829 0.20265866 25.658924 - 1000 536 -0 0.39065236 0.60669027 26.763499 - 1100 536 -0 0.69932743 0.71983266 26.225376 - 1200 536 -0 0.4157436 0.42293535 24.911805 - 1300 536 -0 0.33921032 0.63682235 25.754584 - 1400 536 -0 0.93464611 1.3237441 22.865702 - 1500 536 -0 0.80924985 0.74657727 22.757239 - 1600 536 -0 0.92054828 1.2190322 21.876875 - 1700 536 -0 0.94536064 0.98360513 21.289703 - 1800 536 -0 1.1330092 1.1237788 19.551747 - 1900 536 -0 1.0761391 0.85000786 21.250696 - 2000 536 -0 1.638585 1.2861506 20.207604 -WARNING: Fewer insertions than requested (../fix_pour.cpp:688) -WARNING: Fewer insertions than requested (../fix_pour.cpp:688) - 2100 1056 -0 1.5408671 1.5842743 23.291514 - 2200 1056 -0 1.0229197 1.0843624 21.353081 - 2300 1056 -0 1.0065987 0.91432567 22.38512 - 2400 1056 -0 1.7739939 1.7072525 22.725414 - 2500 1056 -0 1.7824503 1.4988478 22.162721 - 2600 1056 -0 1.9954304 2.2158613 20.155076 - 2700 1056 -0 1.2178088 1.1725726 19.457213 - 2800 1056 -0 1.2801853 1.564228 21.186628 - 2900 1056 -0 2.2349618 2.2264187 21.089537 - 3000 1056 -0 1.6864183 1.7538789 20.996558 - 3100 1056 -0 1.8954776 1.8910819 21.206904 - 3200 1056 -0 2.4766394 2.2529193 21.570887 - 3300 1056 -0 2.637015 2.7086712 22.395582 - 3400 1056 -0 1.9106499 1.8935966 22.199401 - 3500 1056 -0 2.5964912 2.5031185 23.039192 - 3600 1056 -0 2.5085435 2.146064 23.068971 - 3700 1056 -0 2.474989 2.4439976 23.419341 - 3800 1056 -0 2.8205404 2.8384851 22.875541 - 3900 1056 -0 3.2026873 3.2416559 22.208749 - 4000 1056 -0 3.6740735 3.5414156 20.915706 -WARNING: Fewer insertions than requested (../fix_pour.cpp:688) - 4100 1550 -0 3.3900757 3.1941323 22.320541 - 4200 1550 -0 3.2075343 3.5119664 22.534143 - 4300 1550 -0 2.4392667 2.3822515 22.0926 - 4400 1550 -0 3.0764489 2.9398635 24.354151 - 4500 1550 -0 3.259183 3.5214347 24.893647 - 4600 1550 -0 3.5868594 3.8241085 24.02662 - 4700 1550 -0 3.7598172 3.6876335 23.416143 - 4800 1550 -0 4.3919175 4.3391781 23.364196 - 4900 1550 -0 4.1572977 4.2215608 21.635388 - 5000 1550 -0 4.0761296 4.188579 20.033325 - 5100 1550 -0 3.8154497 3.981279 20.388815 - 5200 1550 -0 3.9260972 4.0299312 20.63532 - 5300 1550 -0 4.2435745 4.078322 21.129107 - 5400 1550 -0 3.9751622 4.0698369 20.548446 - 5500 1550 -0 4.3205962 4.695632 22.227101 - 5600 1550 -0 4.421366 4.5508427 22.518481 - 5700 1550 -0 4.645671 4.6922949 22.26108 - 5800 1550 -0 4.5325637 4.8296896 20.65521 - 5900 1550 -0 4.5731936 4.7659352 21.121215 - 6000 1550 -0 5.025558 5.6764226 20.612446 - 6100 2000 -0 5.1141082 5.1792324 23.4753 - 6200 2000 -0 4.6074549 4.5071521 22.552763 - 6300 2000 -0 4.6027236 4.7950174 23.868552 - 6400 2000 -0 5.8144758 5.8327319 25.11257 - 6500 2000 -0 5.5493039 6.0635467 23.557583 - 6600 2000 -0 5.5998872 5.6560452 21.26534 - 6700 2000 -0 5.9389457 6.1453813 21.958412 - 6800 2000 -0 5.845436 5.873492 21.472648 - 6900 2000 -0 4.8412624 5.2517991 20.494437 - 7000 2000 -0 4.9740892 4.8591061 21.683587 - 7100 2000 -0 5.3541491 5.6752241 23.079795 - 7200 2000 -0 6.3336598 6.6065982 24.308419 - 7300 2000 -0 6.8446705 7.2038888 22.05424 - 7400 2000 -0 6.4914858 6.2180246 19.453356 - 7500 2000 -0 5.4149656 5.7102678 18.863244 - 7600 2000 -0 5.993974 6.2246875 19.667177 - 7700 2000 -0 5.537945 5.9323433 19.772405 - 7800 2000 -0 5.7127076 5.8380692 19.832586 - 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69600 2000 -0 4.5594762 4.7584531 5.1352771 - 69700 2000 -0 4.559477 4.7584533 5.1352766 - 69800 2000 -0 4.5594779 4.7584535 5.135276 - 69900 2000 -0 4.5594788 4.7584537 5.1352755 - 70000 2000 -0 4.5594796 4.7584539 5.1352749 - 70100 2000 -0 4.5594805 4.7584541 5.1352744 - 70200 2000 -0 4.5594814 4.7584543 5.1352738 - 70300 2000 -0 4.5594822 4.7584545 5.1352733 - 70400 2000 -0 4.5594831 4.7584547 5.1352728 - 70500 2000 -0 4.559484 4.7584549 5.1352722 - 70600 2000 -0 4.5594848 4.7584551 5.1352717 - 70700 2000 -0 4.5594857 4.7584553 5.1352711 - 70800 2000 -0 4.5594866 4.7584555 5.1352706 - 70900 2000 -0 4.5594874 4.7584557 5.1352701 - 71000 2000 -0 4.5594883 4.7584559 5.1352695 - 71100 2000 -0 4.5594892 4.7584561 5.135269 - 71200 2000 -0 4.5594901 4.7584563 5.1352684 - 71300 2000 -0 4.5594909 4.7584565 5.1352679 - 71400 2000 -0 4.5594918 4.7584567 5.1352674 - 71500 2000 -0 4.5594927 4.7584569 5.1352668 - 71600 2000 -0 4.5594935 4.7584571 5.1352663 - 71700 2000 -0 4.5594944 4.7584573 5.1352657 - 71800 2000 -0 4.5594953 4.7584575 5.1352652 - 71900 2000 -0 4.5594961 4.7584577 5.1352647 - 72000 2000 -0 4.559497 4.7584579 5.1352641 - 72100 2000 -0 4.5594979 4.7584581 5.1352636 - 72200 2000 -0 4.5594987 4.7584583 5.135263 - 72300 2000 -0 4.5594996 4.7584585 5.1352625 - 72400 2000 -0 4.5595005 4.7584587 5.135262 - 72500 2000 -0 4.5595013 4.7584589 5.1352614 - 72600 2000 -0 4.5595022 4.7584591 5.1352609 - 72700 2000 -0 4.5595031 4.7584593 5.1352604 - 72800 2000 -0 4.5595039 4.7584595 5.1352598 - 72900 2000 -0 4.5595048 4.7584597 5.1352593 - 73000 2000 -0 4.5595057 4.7584599 5.1352587 - 73100 2000 -0 4.5595065 4.7584601 5.1352582 - 73200 2000 -0 4.5595074 4.7584603 5.1352577 - 73300 2000 -0 4.5595083 4.7584605 5.1352571 - 73400 2000 -0 4.5595091 4.7584607 5.1352566 - 73500 2000 -0 4.55951 4.7584609 5.135256 - 73600 2000 -0 4.5595109 4.7584611 5.1352555 - 73700 2000 -0 4.5595117 4.7584613 5.135255 - 73800 2000 -0 4.5595126 4.7584615 5.1352544 - 73900 2000 -0 4.5595135 4.7584617 5.1352539 - 74000 2000 -0 4.5595143 4.7584619 5.1352534 - 74100 2000 -0 4.5595152 4.7584621 5.1352528 - 74200 2000 -0 4.5595161 4.7584623 5.1352523 - 74300 2000 -0 4.559517 4.7584627 5.1352518 - 74400 2000 -0 4.5595178 4.7584626 5.1352512 - 74500 2000 -0 4.5595187 4.7584629 5.1352507 - 74600 2000 -0 4.5595195 4.7584631 5.1352501 - 74700 2000 -0 4.5595204 4.7584633 5.1352496 - 74800 2000 -0 4.5595213 4.7584635 5.135249 - 74900 2000 -0 4.5595221 4.7584637 5.1352485 - 75000 2000 -0 4.559523 4.7584639 5.135248 - 75100 2000 -0 4.5595239 4.7584641 5.1352474 - 75200 2000 -0 4.5595247 4.7584643 5.1352469 - 75300 2000 -0 4.5595256 4.7584645 5.1352464 - 75400 2000 -0 4.5595265 4.7584647 5.1352458 - 75500 2000 -0 4.5595273 4.7584649 5.1352453 - 75600 2000 -0 4.5595282 4.758465 5.1352447 - 75700 2000 -0 4.5595291 4.7584652 5.1352442 - 75800 2000 -0 4.5595299 4.7584654 5.1352437 - 75900 2000 -0 4.5595308 4.7584656 5.1352431 - 76000 2000 -0 4.5595318 4.7584659 5.1352426 - 76100 2000 -0 4.5595325 4.758466 5.1352421 - 76200 2000 -0 4.5595334 4.7584662 5.1352415 - 76300 2000 -0 4.5595342 4.7584664 5.135241 - 76400 2000 -0 4.5595351 4.7584666 5.1352405 - 76500 2000 -0 4.559536 4.7584668 5.1352399 - 76600 2000 -0 4.5595368 4.758467 5.1352394 - 76700 2000 -0 4.5595377 4.7584672 5.1352388 - 76800 2000 -0 4.5595386 4.7584674 5.1352383 - 76900 2000 -0 4.5595394 4.7584676 5.1352378 - 77000 2000 -0 4.5595403 4.7584678 5.1352372 - 77100 2000 -0 4.5595412 4.758468 5.1352367 - 77200 2000 -0 4.559542 4.7584682 5.1352362 - 77300 2000 -0 4.5595429 4.7584684 5.1352356 - 77400 2000 -0 4.5595438 4.7584686 5.1352351 - 77500 2000 -0 4.5595446 4.7584688 5.1352346 - 77600 2000 -0 4.5595455 4.758469 5.135234 - 77700 2000 -0 4.5595464 4.7584692 5.1352335 - 77800 2000 -0 4.5595472 4.7584694 5.1352329 - 77900 2000 -0 4.5595481 4.7584696 5.1352324 - 78000 2000 -0 4.5595489 4.7584698 5.1352319 - 78100 2000 -0 4.5595498 4.75847 5.1352313 - 78200 2000 -0 4.5595507 4.7584702 5.1352308 - 78300 2000 -0 4.5595515 4.7584704 5.1352303 - 78400 2000 -0 4.5595524 4.7584706 5.1352297 - 78500 2000 -0 4.5595533 4.7584708 5.1352292 - 78600 2000 -0 4.5595541 4.758471 5.1352287 - 78700 2000 -0 4.559555 4.7584712 5.1352281 - 78800 2000 -0 4.5595559 4.7584714 5.1352276 - 78900 2000 -0 4.5595567 4.7584716 5.1352271 - 79000 2000 -0 4.5595576 4.7584718 5.1352265 - 79100 2000 -0 4.5595584 4.758472 5.135226 - 79200 2000 -0 4.5595593 4.7584722 5.1352255 - 79300 2000 -0 4.5595602 4.7584724 5.1352249 - 79400 2000 -0 4.559561 4.7584726 5.1352244 - 79500 2000 -0 4.5595619 4.7584728 5.1352239 - 79600 2000 -0 4.5595628 4.758473 5.1352233 - 79700 2000 -0 4.5595636 4.7584732 5.1352228 - 79800 2000 -0 4.5595645 4.7584734 5.1352222 - 79900 2000 -0 4.5595654 4.7584736 5.1352217 - 80000 2000 -0 4.5595662 4.7584738 5.1352212 - 80100 2000 -0 4.5595671 4.758474 5.1352206 - 80200 2000 -0 4.5595679 4.7584742 5.1352201 - 80300 2000 -0 4.5595688 4.7584744 5.1352196 - 80400 2000 -0 4.5595697 4.7584746 5.135219 - 80500 2000 -0 4.5595705 4.7584748 5.1352185 - 80600 2000 -0 4.5595714 4.758475 5.135218 - 80700 2000 -0 4.5595723 4.7584752 5.1352174 - 80800 2000 -0 4.5595731 4.7584753 5.1352169 - 80900 2000 -0 4.559574 4.7584755 5.1352164 - 81000 2000 -0 4.5595748 4.7584757 5.1352158 - 81100 2000 -0 4.5595757 4.7584759 5.1352153 - 81200 2000 -0 4.5595766 4.7584761 5.1352148 - 81300 2000 -0 4.5595774 4.7584763 5.1352142 - 81400 2000 -0 4.5595783 4.7584765 5.1352137 - 81500 2000 -0 4.5595792 4.7584767 5.1352132 - 81600 2000 -0 4.55958 4.7584769 5.1352126 - 81700 2000 -0 4.5595809 4.7584771 5.1352121 - 81800 2000 -0 4.5595817 4.7584773 5.1352116 - 81900 2000 -0 4.5595826 4.7584775 5.135211 - 82000 2000 -0 4.5595835 4.7584777 5.1352105 - 82100 2000 -0 4.5595843 4.7584779 5.13521 - 82200 2000 -0 4.5595852 4.7584781 5.1352094 - 82300 2000 -0 4.559586 4.7584783 5.1352089 - 82400 2000 -0 4.5595869 4.7584785 5.1352084 - 82500 2000 -0 4.5595878 4.7584787 5.1352078 - 82600 2000 -0 4.5595886 4.7584789 5.1352073 - 82700 2000 -0 4.5595895 4.7584791 5.1352068 - 82800 2000 -0 4.5595904 4.7584793 5.1352062 - 82900 2000 -0 4.5595912 4.7584795 5.1352057 - 83000 2000 -0 4.5595921 4.7584797 5.1352052 - 83100 2000 -0 4.5595929 4.7584799 5.1352046 - 83200 2000 -0 4.5595938 4.7584801 5.1352041 - 83300 2000 -0 4.5595947 4.7584803 5.1352036 - 83400 2000 -0 4.5595959 4.7584805 5.135203 - 83500 2000 -0 4.5595964 4.7584807 5.1352026 - 83600 2000 -0 4.5595972 4.7584809 5.1352019 - 83700 2000 -0 4.5595981 4.7584811 5.1352015 - 83800 2000 -0 4.559599 4.7584813 5.135201 - 83900 2000 -0 4.5595998 4.7584815 5.1352003 - 84000 2000 -0 4.5596007 4.7584817 5.1351999 - 84100 2000 -0 4.5596016 4.7584819 5.1351994 - 84200 2000 -0 4.5596024 4.7584821 5.1351988 - 84300 2000 -0 4.5596033 4.7584823 5.1351982 - 84400 2000 -0 4.5596041 4.7584825 5.1351978 - 84500 2000 -0 4.559605 4.7584827 5.1351972 - 84600 2000 -0 4.5596058 4.7584829 5.1351966 - 84700 2000 -0 4.5596067 4.7584831 5.1351962 - 84800 2000 -0 4.5596076 4.7584833 5.1351956 - 84900 2000 -0 4.5596084 4.7584835 5.1351951 - 85000 2000 -0 4.5596093 4.7584837 5.1351946 - 85100 2000 -0 4.5596101 4.7584839 5.135194 - 85200 2000 -0 4.559611 4.7584841 5.1351935 - 85300 2000 -0 4.5596119 4.7584843 5.135193 - 85400 2000 -0 4.5596127 4.7584845 5.1351924 - 85500 2000 -0 4.5596136 4.7584847 5.1351919 - 85600 2000 -0 4.5596144 4.7584848 5.1351914 - 85700 2000 -0 4.5596153 4.758485 5.1351908 - 85800 2000 -0 4.5596162 4.7584852 5.1351903 - 85900 2000 -0 4.559617 4.7584854 5.1351898 - 86000 2000 -0 4.5596179 4.7584856 5.1351892 - 86100 2000 -0 4.5596187 4.7584858 5.1351887 - 86200 2000 -0 4.5596196 4.758486 5.1351882 - 86300 2000 -0 4.5596205 4.7584862 5.1351876 - 86400 2000 -0 4.5596213 4.7584864 5.1351871 - 86500 2000 -0 4.5596222 4.7584866 5.1351866 - 86600 2000 -0 4.559623 4.7584868 5.1351861 - 86700 2000 -0 4.5596239 4.758487 5.1351855 - 86800 2000 -0 4.5596248 4.7584872 5.135185 - 86900 2000 -0 4.5596256 4.7584874 5.1351845 - 87000 2000 -0 4.5596265 4.7584876 5.1351839 - 87100 2000 -0 4.5596273 4.7584878 5.1351834 - 87200 2000 -0 4.5596282 4.758488 5.1351829 - 87300 2000 -0 4.5596291 4.7584882 5.1351823 - 87400 2000 -0 4.5596299 4.7584884 5.1351818 - 87500 2000 -0 4.5596308 4.7584886 5.1351813 - 87600 2000 -0 4.5596316 4.7584888 5.1351808 - 87700 2000 -0 4.5596325 4.758489 5.1351802 - 87800 2000 -0 4.5596333 4.7584892 5.1351797 - 87900 2000 -0 4.5596342 4.7584894 5.1351792 - 88000 2000 -0 4.5596351 4.7584896 5.1351786 - 88100 2000 -0 4.5596359 4.7584898 5.1351781 - 88200 2000 -0 4.5596368 4.75849 5.1351776 - 88300 2000 -0 4.5596376 4.7584902 5.135177 - 88400 2000 -0 4.5596385 4.7584904 5.1351765 - 88500 2000 -0 4.5596394 4.7584906 5.135176 - 88600 2000 -0 4.5596402 4.7584908 5.1351755 - 88700 2000 -0 4.5596411 4.758491 5.1351749 - 88800 2000 -0 4.5596419 4.7584912 5.1351744 - 88900 2000 -0 4.5596428 4.7584914 5.1351739 - 89000 2000 -0 4.5596436 4.7584916 5.1351733 - 89100 2000 -0 4.5596445 4.7584918 5.1351728 - 89200 2000 -0 4.5596454 4.758492 5.1351723 - 89300 2000 -0 4.5596462 4.7584922 5.1351718 - 89400 2000 -0 4.5596471 4.7584924 5.1351712 - 89500 2000 -0 4.5596479 4.7584926 5.1351707 - 89600 2000 -0 4.5596488 4.7584928 5.1351702 - 89700 2000 -0 4.5596496 4.758493 5.1351696 - 89800 2000 -0 4.5596505 4.7584932 5.1351691 - 89900 2000 -0 4.5596514 4.7584934 5.1351686 - 90000 2000 -0 4.5596522 4.7584936 5.1351681 - 90100 2000 -0 4.5596531 4.7584937 5.1351675 - 90200 2000 -0 4.5596539 4.7584939 5.135167 - 90300 2000 -0 4.5596548 4.7584941 5.1351665 - 90400 2000 -0 4.5596556 4.7584943 5.135166 - 90500 2000 -0 4.5596565 4.7584945 5.1351654 - 90600 2000 -0 4.5596574 4.7584947 5.1351649 - 90700 2000 -0 4.5596582 4.7584949 5.1351644 - 90800 2000 -0 4.5596591 4.7584951 5.1351638 - 90900 2000 -0 4.5596599 4.7584953 5.1351633 - 91000 2000 -0 4.5596608 4.7584955 5.1351628 - 91100 2000 -0 4.5596616 4.7584957 5.1351623 - 91200 2000 -0 4.5596625 4.7584959 5.1351617 - 91300 2000 -0 4.5596633 4.7584961 5.1351612 - 91400 2000 -0 4.5596642 4.7584963 5.1351607 - 91500 2000 -0 4.5596651 4.7584965 5.1351602 - 91600 2000 -0 4.5596659 4.7584967 5.1351596 - 91700 2000 -0 4.5596668 4.7584969 5.1351591 - 91800 2000 -0 4.5596676 4.7584971 5.1351586 - 91900 2000 -0 4.5596685 4.7584973 5.135158 - 92000 2000 -0 4.5596693 4.7584975 5.1351575 - 92100 2000 -0 4.5596702 4.7584977 5.135157 - 92200 2000 -0 4.5596711 4.7584979 5.1351565 - 92300 2000 -0 4.5596719 4.7584981 5.1351559 - 92400 2000 -0 4.5596728 4.7584983 5.1351554 - 92500 2000 -0 4.5596736 4.7584985 5.1351549 - 92600 2000 -0 4.5596745 4.7584987 5.1351544 - 92700 2000 -0 4.5596753 4.7584989 5.1351538 - 92800 2000 -0 4.5596762 4.7584991 5.1351533 - 92900 2000 -0 4.5596772 4.7584992 5.1351528 - 93000 2000 -0 4.5596781 4.7584993 5.1351523 - 93100 2000 -0 4.5596791 4.7584995 5.1351517 - 93200 2000 -0 4.55968 4.7584997 5.1351512 - 93300 2000 -0 4.559681 4.7584998 5.1351507 - 93400 2000 -0 4.5596819 4.7584999 5.1351502 - 93500 2000 -0 4.5596829 4.7585 5.1351496 - 93600 2000 -0 4.5596838 4.7585002 5.1351491 - 93700 2000 -0 4.5596848 4.7585003 5.1351486 - 93800 2000 -0 4.5596858 4.7585005 5.1351481 - 93900 2000 -0 4.5596867 4.7585006 5.1351476 - 94000 2000 -0 4.5596877 4.7585007 5.135147 - 94100 2000 -0 4.5596886 4.7585009 5.1351465 - 94200 2000 -0 4.5596896 4.758501 5.135146 - 94300 2000 -0 4.5596907 4.7585015 5.1351456 - 94400 2000 -0 4.5596915 4.7585013 5.1351449 - 94500 2000 -0 4.5596924 4.7585015 5.1351445 - 94600 2000 -0 4.5596934 4.7585016 5.1351439 - 94700 2000 -0 4.5596943 4.7585017 5.1351434 - 94800 2000 -0 4.5596953 4.7585019 5.1351429 - 94900 2000 -0 4.5596962 4.758502 5.1351423 - 95000 2000 -0 4.5596972 4.7585021 5.1351418 - 95100 2000 -0 4.5596981 4.7585023 5.1351413 - 95200 2000 -0 4.5596991 4.7585024 5.1351408 - 95300 2000 -0 4.5597 4.7585026 5.1351402 - 95400 2000 -0 4.559701 4.7585027 5.1351397 - 95500 2000 -0 4.559702 4.7585028 5.1351392 - 95600 2000 -0 4.5597029 4.758503 5.1351387 - 95700 2000 -0 4.5597039 4.7585031 5.1351382 - 95800 2000 -0 4.5597048 4.7585033 5.1351377 - 95900 2000 -0 4.5597058 4.7585034 5.1351371 - 96000 2000 -0 4.5597067 4.7585035 5.1351366 - 96100 2000 -0 4.5597077 4.7585037 5.1351361 - 96200 2000 -0 4.5597086 4.7585038 5.1351356 - 96300 2000 -0 4.5597096 4.758504 5.1351351 - 96400 2000 -0 4.5597105 4.7585041 5.1351345 - 96500 2000 -0 4.5597115 4.7585042 5.135134 - 96600 2000 -0 4.5597124 4.7585044 5.1351335 - 96700 2000 -0 4.5597134 4.7585045 5.135133 - 96800 2000 -0 4.5597143 4.7585047 5.1351325 - 96900 2000 -0 4.5597153 4.7585048 5.1351319 - 97000 2000 -0 4.5597162 4.7585049 5.1351314 - 97100 2000 -0 4.5597172 4.7585051 5.1351309 - 97200 2000 -0 4.5597181 4.7585052 5.1351304 - 97300 2000 -0 4.5597191 4.7585054 5.1351299 - 97400 2000 -0 4.5597201 4.7585055 5.1351293 - 97500 2000 -0 4.559721 4.7585056 5.1351288 - 97600 2000 -0 4.559722 4.7585058 5.1351283 - 97700 2000 -0 4.5597229 4.7585059 5.1351278 - 97800 2000 -0 4.5597239 4.7585061 5.1351273 - 97900 2000 -0 4.5597248 4.7585062 5.1351267 - 98000 2000 -0 4.5597258 4.7585063 5.1351262 - 98100 2000 -0 4.5597267 4.7585065 5.1351257 - 98200 2000 -0 4.5597277 4.7585066 5.1351252 - 98300 2000 -0 4.5597286 4.7585068 5.1351247 - 98400 2000 -0 4.5597296 4.7585069 5.1351241 - 98500 2000 -0 4.5597305 4.758507 5.1351236 - 98600 2000 -0 4.5597315 4.7585072 5.1351231 - 98700 2000 -0 4.5597324 4.7585073 5.1351226 - 98800 2000 -0 4.5597334 4.7585075 5.1351221 - 98900 2000 -0 4.5597343 4.7585076 5.1351215 - 99000 2000 -0 4.5597353 4.7585077 5.135121 - 99100 2000 -0 4.5597362 4.7585079 5.1351205 - 99200 2000 -0 4.5597372 4.758508 5.13512 - 99300 2000 -0 4.5597381 4.7585082 5.1351195 - 99400 2000 -0 4.5597391 4.7585083 5.1351189 - 99500 2000 -0 4.55974 4.7585084 5.1351184 - 99600 2000 -0 4.559741 4.7585086 5.1351179 - 99700 2000 -0 4.5597419 4.7585087 5.1351174 - 99800 2000 -0 4.5597429 4.7585089 5.1351169 - 99900 2000 -0 4.5597438 4.758509 5.1351164 - 100000 2000 -0 4.5597448 4.7585091 5.1351158 -Loop time of 28.5137 on 4 procs for 100000 steps with 2000 atoms - -Performance: 303012.391 tau/day, 3507.088 timesteps/s, 7.014 Matom-step/s -98.5% CPU use with 4 MPI tasks x no OpenMP threads - -MPI task timing breakdown: -Section | min time | avg time | max time |%varavg| %total ---------------------------------------------------------------- -Pair | 13.673 | 14.898 | 16.176 | 28.4 | 52.25 -Neigh | 0.73867 | 0.77521 | 0.81583 | 4.0 | 2.72 -Comm | 4.3336 | 5.8757 | 7.3155 | 50.3 | 20.61 -Output | 0.020967 | 0.022222 | 0.025301 | 1.2 | 0.08 -Modify | 6.3623 | 6.5284 | 6.7446 | 5.7 | 22.90 -Other | | 0.4143 | | | 1.45 - -Nlocal: 500 ave 502 max 498 min -Histogram: 2 0 0 0 0 0 0 0 0 2 -Nghost: 548.5 ave 556 max 542 min -Histogram: 1 0 1 0 0 1 0 0 0 1 -Neighs: 2427.25 ave 2528 max 2355 min -Histogram: 2 0 0 0 0 1 0 0 0 1 - -Total # of neighbors = 9709 -Ave neighs/atom = 4.8545 -Neighbor list builds = 5271 -Dangerous builds = 0 - -Total wall time: 0:00:29 diff --git a/examples/granular/log.27Jun24.pour.drum.g++.1 b/examples/granular/log.29Jul26.pour.drum.g++.1 similarity index 73% rename from examples/granular/log.27Jun24.pour.drum.g++.1 rename to examples/granular/log.29Jul26.pour.drum.g++.1 index b634481bb3d..5368f46a0aa 100644 --- a/examples/granular/log.27Jun24.pour.drum.g++.1 +++ b/examples/granular/log.29Jul26.pour.drum.g++.1 @@ -1,4 +1,6 @@ -LAMMPS (27 Jun 2024 - Development - patch_27Jun2024-930-g7036930360) +LAMMPS (4 Jul 2026 - Development - patch_4Jul2026-308-g7ee3eb9867-modified) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. + 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. @@ -134,8 +136,8 @@ Neighbor list info ... binsize = 0.60363143, bins = 50 50 83 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair granular, perpetual - attributes: half, newton on, size, history - pair build: half/size/bin/atomonly/newton + attributes: half, newton on, history + pair build: half/bin/atomonly/newton stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 15.95 | 15.95 | 15.95 Mbytes @@ -161,32 +163,32 @@ Per MPI rank memory allocation (min/avg/max) = 15.95 | 15.95 | 15.95 Mbytes 1800 4000 -0 0 1900 4000 -0 0 2000 4000 -0 0 -Loop time of 2.46916 on 1 procs for 2000 steps with 4000 atoms +Loop time of 1.55064 on 1 procs for 2000 steps with 4000 atoms -Performance: 69983.324 tau/day, 809.992 timesteps/s, 3.240 Matom-step/s -99.5% CPU use with 1 MPI tasks x no OpenMP threads +Performance: 111437.919 tau/day, 1289.791 timesteps/s, 5.159 Matom-step/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 | 0.32379 | 0.32379 | 0.32379 | 0.0 | 13.11 -Neigh | 0.98775 | 0.98775 | 0.98775 | 0.0 | 40.00 -Comm | 0.03762 | 0.03762 | 0.03762 | 0.0 | 1.52 -Output | 0.0004273 | 0.0004273 | 0.0004273 | 0.0 | 0.02 -Modify | 1.0824 | 1.0824 | 1.0824 | 0.0 | 43.84 -Other | | 0.03719 | | | 1.51 +Pair | 0.15478 | 0.15478 | 0.15478 | 0.0 | 9.98 +Neigh | 0.46592 | 0.46592 | 0.46592 | 0.0 | 30.05 +Comm | 0.018805 | 0.018805 | 0.018805 | 0.0 | 1.21 +Output | 0.00040905 | 0.00040905 | 0.00040905 | 0.0 | 0.03 +Modify | 0.88802 | 0.88802 | 0.88802 | 0.0 | 57.27 +Other | | 0.0227 | | | 1.46 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 192 ave 192 max 192 min +Nghost: 155 ave 155 max 155 min Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 6959 ave 6959 max 6959 min +Neighs: 8414 ave 8414 max 8414 min Histogram: 1 0 0 0 0 0 0 0 0 0 -Total # of neighbors = 6959 -Ave neighs/atom = 1.73975 -Neighbor list builds = 1042 -Dangerous builds = 82 +Total # of neighbors = 8414 +Ave neighs/atom = 2.1035 +Neighbor list builds = 1000 +Dangerous builds = 0 #Remove any particles that are above z > 0.5*drum_height delete_atoms group delgroup @@ -212,61 +214,61 @@ run 3000 Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule Per MPI rank memory allocation (min/avg/max) = 22.3 | 22.3 | 22.3 Mbytes Step Atoms KinEng v_theta - 2000 4000 59.748184 0 - 2100 4000 47.350194 0.031415927 - 2200 4000 33.365489 0.062831853 - 2300 4000 24.167007 0.09424778 - 2400 4000 17.169385 0.12566371 - 2500 4000 18.361204 0.15707963 - 2600 4000 17.259574 0.18849556 - 2700 4000 16.022776 0.21991149 - 2800 4000 14.177071 0.25132741 - 2900 4000 11.594949 0.28274334 - 3000 4000 8.8305692 0.31415927 - 3100 4000 6.777187 0.34557519 - 3200 4000 5.7660641 0.37699112 - 3300 4000 5.6477598 0.40840704 - 3400 4000 5.7778867 0.43982297 - 3500 4000 6.1873342 0.4712389 - 3600 4000 6.2232869 0.50265482 - 3700 4000 6.3635239 0.53407075 - 3800 4000 6.523255 0.56548668 - 3900 4000 6.5008528 0.5969026 - 4000 4000 6.2394922 0.62831853 - 4100 4000 5.9742801 0.65973446 - 4200 4000 5.3949422 0.69115038 - 4300 4000 4.9123859 0.72256631 - 4400 4000 4.3863176 0.75398224 - 4500 4000 3.8729959 0.78539816 - 4600 4000 3.4734137 0.81681409 - 4700 4000 3.0478845 0.84823002 - 4800 4000 2.8232582 0.87964594 - 4900 4000 2.6314234 0.91106187 - 5000 4000 2.429883 0.9424778 -Loop time of 8.26731 on 1 procs for 3000 steps with 4000 atoms - -Performance: 31352.411 tau/day, 362.875 timesteps/s, 1.452 Matom-step/s -99.7% CPU use with 1 MPI tasks x no OpenMP threads + 2000 4000 34.491321 0 + 2100 4000 28.528867 0.031415927 + 2200 4000 22.853017 0.062831853 + 2300 4000 19.015269 0.09424778 + 2400 4000 14.620237 0.12566371 + 2500 4000 12.495189 0.15707963 + 2600 4000 9.8887135 0.18849556 + 2700 4000 8.0954872 0.21991149 + 2800 4000 6.8618457 0.25132741 + 2900 4000 6.3433991 0.28274334 + 3000 4000 6.7136444 0.31415927 + 3100 4000 7.134964 0.34557519 + 3200 4000 7.6235832 0.37699112 + 3300 4000 8.0578994 0.40840704 + 3400 4000 8.4105848 0.43982297 + 3500 4000 8.6603796 0.4712389 + 3600 4000 8.7275102 0.50265482 + 3700 4000 8.6930879 0.53407075 + 3800 4000 8.3881001 0.56548668 + 3900 4000 7.9725628 0.5969026 + 4000 4000 7.2877719 0.62831853 + 4100 4000 6.5443953 0.65973446 + 4200 4000 5.6349565 0.69115038 + 4300 4000 4.5692985 0.72256631 + 4400 4000 3.6846732 0.75398224 + 4500 4000 3.0894877 0.78539816 + 4600 4000 2.638202 0.81681409 + 4700 4000 2.3488301 0.84823002 + 4800 4000 2.0430155 0.87964594 + 4900 4000 1.8529835 0.91106187 + 5000 4000 1.7104808 0.9424778 +Loop time of 5.48425 on 1 procs for 3000 steps with 4000 atoms + +Performance: 47262.596 tau/day, 547.021 timesteps/s, 2.188 Matom-step/s +99.5% CPU use with 1 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- -Pair | 2.9751 | 2.9751 | 2.9751 | 0.0 | 35.99 -Neigh | 2.0918 | 2.0918 | 2.0918 | 0.0 | 25.30 -Comm | 0.059511 | 0.059511 | 0.059511 | 0.0 | 0.72 -Output | 0.0007014 | 0.0007014 | 0.0007014 | 0.0 | 0.01 -Modify | 3.0819 | 3.0819 | 3.0819 | 0.0 | 37.28 -Other | | 0.05826 | | | 0.70 +Pair | 2.3285 | 2.3285 | 2.3285 | 0.0 | 42.46 +Neigh | 0.99368 | 0.99368 | 0.99368 | 0.0 | 18.12 +Comm | 0.028514 | 0.028514 | 0.028514 | 0.0 | 0.52 +Output | 0.00067715 | 0.00067715 | 0.00067715 | 0.0 | 0.01 +Modify | 2.1021 | 2.1021 | 2.1021 | 0.0 | 38.33 +Other | | 0.03083 | | | 0.56 Nlocal: 4000 ave 4000 max 4000 min Histogram: 1 0 0 0 0 0 0 0 0 0 -Nghost: 353 ave 353 max 353 min +Nghost: 422 ave 422 max 422 min Histogram: 1 0 0 0 0 0 0 0 0 0 -Neighs: 12970 ave 12970 max 12970 min +Neighs: 23141 ave 23141 max 23141 min Histogram: 1 0 0 0 0 0 0 0 0 0 -Total # of neighbors = 12970 -Ave neighs/atom = 3.2425 -Neighbor list builds = 1236 -Dangerous builds = 130 -Total wall time: 0:00:10 +Total # of neighbors = 23141 +Ave neighs/atom = 5.78525 +Neighbor list builds = 1034 +Dangerous builds = 93 +Total wall time: 0:00:07 diff --git a/examples/granular/log.27Jun24.pour.drum.g++.4 b/examples/granular/log.29Jul26.pour.drum.g++.4 similarity index 71% rename from examples/granular/log.27Jun24.pour.drum.g++.4 rename to examples/granular/log.29Jul26.pour.drum.g++.4 index b4d8176283f..973bd27d53a 100644 --- a/examples/granular/log.27Jun24.pour.drum.g++.4 +++ b/examples/granular/log.29Jul26.pour.drum.g++.4 @@ -1,4 +1,6 @@ -LAMMPS (27 Jun 2024 - Development - patch_27Jun2024-930-g7036930360) +LAMMPS (4 Jul 2026 - Development - patch_4Jul2026-308-g7ee3eb9867-modified) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. + 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. @@ -134,8 +136,8 @@ Neighbor list info ... binsize = 0.60363143, bins = 50 50 83 1 neighbor lists, perpetual/occasional/extra = 1 0 0 (1) pair granular, perpetual - attributes: half, newton on, size, history - pair build: half/size/bin/atomonly/newton + attributes: half, newton on, history + pair build: half/bin/atomonly/newton stencil: half/bin/3d bin: standard Per MPI rank memory allocation (min/avg/max) = 15.26 | 15.26 | 15.26 Mbytes @@ -161,30 +163,30 @@ Per MPI rank memory allocation (min/avg/max) = 15.26 | 15.26 | 15.26 Mbytes 1800 4000 -0 0 1900 4000 -0 0 2000 4000 -0 0 -Loop time of 0.717368 on 4 procs for 2000 steps with 4000 atoms +Loop time of 0.544266 on 4 procs for 2000 steps with 4000 atoms -Performance: 240880.647 tau/day, 2787.970 timesteps/s, 11.152 Matom-step/s -99.6% CPU use with 4 MPI tasks x no OpenMP threads +Performance: 317491.854 tau/day, 3674.674 timesteps/s, 14.699 Matom-step/s +98.1% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- -Pair | 0.066314 | 0.069313 | 0.072824 | 0.9 | 9.66 -Neigh | 0.17091 | 0.17659 | 0.18316 | 1.2 | 24.62 -Comm | 0.090794 | 0.10277 | 0.11691 | 3.3 | 14.33 -Output | 0.00026021 | 0.00028548 | 0.00031629 | 0.0 | 0.04 -Modify | 0.33724 | 0.3471 | 0.35578 | 1.1 | 48.39 -Other | | 0.02131 | | | 2.97 - -Nlocal: 1000 ave 1011 max 989 min +Pair | 0.035993 | 0.036913 | 0.039258 | 0.7 | 6.78 +Neigh | 0.11251 | 0.11399 | 0.11546 | 0.3 | 20.94 +Comm | 0.039701 | 0.042488 | 0.046084 | 1.2 | 7.81 +Output | 0.00022794 | 0.00027392 | 0.00030777 | 0.0 | 0.05 +Modify | 0.32901 | 0.33336 | 0.3361 | 0.5 | 61.25 +Other | | 0.01724 | | | 3.17 + +Nlocal: 1000 ave 1007 max 993 min Histogram: 2 0 0 0 0 0 0 0 0 2 -Nghost: 279.5 ave 288 max 265 min -Histogram: 1 0 0 0 0 1 0 0 0 2 -Neighs: 1771 ave 1849 max 1683 min -Histogram: 1 1 0 0 0 0 0 0 0 2 +Nghost: 274.75 ave 283 max 270 min +Histogram: 2 0 0 1 0 0 0 0 0 1 +Neighs: 2095 ave 2105 max 2070 min +Histogram: 1 0 0 0 0 0 0 0 1 2 -Total # of neighbors = 7084 -Ave neighs/atom = 1.771 +Total # of neighbors = 8380 +Ave neighs/atom = 2.095 Neighbor list builds = 1000 Dangerous builds = 0 @@ -212,61 +214,61 @@ run 3000 Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule Per MPI rank memory allocation (min/avg/max) = 21.56 | 21.56 | 21.56 Mbytes Step Atoms KinEng v_theta - 2000 4000 59.519618 0 - 2100 4000 46.959463 0.031415927 - 2200 4000 33.575692 0.062831853 - 2300 4000 24.142787 0.09424778 - 2400 4000 17.337935 0.12566371 - 2500 4000 18.547345 0.15707963 - 2600 4000 17.504214 0.18849556 - 2700 4000 16.24609 0.21991149 - 2800 4000 14.074959 0.25132741 - 2900 4000 11.85315 0.28274334 - 3000 4000 9.1440638 0.31415927 - 3100 4000 7.0279268 0.34557519 - 3200 4000 5.9258872 0.37699112 - 3300 4000 5.8615694 0.40840704 - 3400 4000 5.9779406 0.43982297 - 3500 4000 6.4357798 0.4712389 - 3600 4000 6.4960487 0.50265482 - 3700 4000 6.586721 0.53407075 - 3800 4000 6.5979634 0.56548668 - 3900 4000 6.5728243 0.5969026 - 4000 4000 6.3664722 0.62831853 - 4100 4000 6.025512 0.65973446 - 4200 4000 5.5922152 0.69115038 - 4300 4000 5.0429386 0.72256631 - 4400 4000 4.3669836 0.75398224 - 4500 4000 3.8125957 0.78539816 - 4600 4000 3.3457033 0.81681409 - 4700 4000 2.9405372 0.84823002 - 4800 4000 2.6544181 0.87964594 - 4900 4000 2.4465164 0.91106187 - 5000 4000 2.2332401 0.9424778 -Loop time of 2.47988 on 4 procs for 3000 steps with 4000 atoms - -Performance: 104520.996 tau/day, 1209.734 timesteps/s, 4.839 Matom-step/s -99.2% CPU use with 4 MPI tasks x no OpenMP threads + 2000 4000 34.53412 0 + 2100 4000 28.438855 0.031415927 + 2200 4000 22.778408 0.062831853 + 2300 4000 19.00769 0.09424778 + 2400 4000 14.669427 0.12566371 + 2500 4000 12.523678 0.15707963 + 2600 4000 9.9424995 0.18849556 + 2700 4000 8.308304 0.21991149 + 2800 4000 6.9041954 0.25132741 + 2900 4000 6.4056281 0.28274334 + 3000 4000 6.7414937 0.31415927 + 3100 4000 7.1691233 0.34557519 + 3200 4000 7.5888616 0.37699112 + 3300 4000 7.9618459 0.40840704 + 3400 4000 8.3020331 0.43982297 + 3500 4000 8.5829364 0.4712389 + 3600 4000 8.7037462 0.50265482 + 3700 4000 8.7375127 0.53407075 + 3800 4000 8.5202439 0.56548668 + 3900 4000 8.0620062 0.5969026 + 4000 4000 7.3991861 0.62831853 + 4100 4000 6.5695605 0.65973446 + 4200 4000 5.729989 0.69115038 + 4300 4000 4.7379827 0.72256631 + 4400 4000 3.8932995 0.75398224 + 4500 4000 3.3324779 0.78539816 + 4600 4000 2.903843 0.81681409 + 4700 4000 2.5502083 0.84823002 + 4800 4000 2.2388391 0.87964594 + 4900 4000 2.0105779 0.91106187 + 5000 4000 1.8499983 0.9424778 +Loop time of 1.71672 on 4 procs for 3000 steps with 4000 atoms + +Performance: 150985.172 tau/day, 1747.514 timesteps/s, 6.990 Matom-step/s +98.7% CPU use with 4 MPI tasks x 1 OpenMP threads MPI task timing breakdown: Section | min time | avg time | max time |%varavg| %total --------------------------------------------------------------- -Pair | 0.51755 | 0.69165 | 0.84951 | 14.2 | 27.89 -Neigh | 0.37557 | 0.44168 | 0.51371 | 7.4 | 17.81 -Comm | 0.17182 | 0.42275 | 0.67979 | 27.7 | 17.05 -Output | 0.00061419 | 0.0013055 | 0.0020239 | 1.4 | 0.05 -Modify | 0.69708 | 0.79942 | 0.90438 | 8.2 | 32.24 -Other | | 0.1231 | | | 4.96 - -Nlocal: 1000 ave 1311 max 689 min +Pair | 0.45857 | 0.58625 | 0.68359 | 10.7 | 34.15 +Neigh | 0.23305 | 0.2645 | 0.29219 | 4.3 | 15.41 +Comm | 0.081072 | 0.21277 | 0.37812 | 23.4 | 12.39 +Output | 0.00043957 | 0.00094769 | 0.001482 | 0.0 | 0.06 +Modify | 0.49579 | 0.56857 | 0.64207 | 6.9 | 33.12 +Other | | 0.08369 | | | 4.88 + +Nlocal: 1000 ave 1312 max 688 min Histogram: 2 0 0 0 0 0 0 0 0 2 -Nghost: 555.25 ave 838 max 429 min -Histogram: 1 2 0 0 0 0 0 0 0 1 -Neighs: 3277.75 ave 4525 max 2052 min +Nghost: 604.25 ave 875 max 478 min +Histogram: 2 1 0 0 0 0 0 0 0 1 +Neighs: 5721 ave 7923 max 3530 min Histogram: 1 1 0 0 0 0 0 0 1 1 -Total # of neighbors = 13111 -Ave neighs/atom = 3.27775 -Neighbor list builds = 1254 -Dangerous builds = 130 -Total wall time: 0:00:03 +Total # of neighbors = 22884 +Ave neighs/atom = 5.721 +Neighbor list builds = 1031 +Dangerous builds = 93 +Total wall time: 0:00:02 diff --git a/examples/granular/log.29Jul26.pour.heat.g++.1 b/examples/granular/log.29Jul26.pour.heat.g++.1 new file mode 100644 index 00000000000..3aeb02972ee --- /dev/null +++ b/examples/granular/log.29Jul26.pour.heat.g++.1 @@ -0,0 +1,1170 @@ +LAMMPS (4 Jul 2026 - Development - patch_4Jul2026-308-g7ee3eb9867-modified) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. + using 1 OpenMP thread(s) per MPI task +# pour one types of particles into cylinder and oscillate +# temperature of the bottom plate + +variable name string heat_plate + +atom_style sphere +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 property/atom temperature heatflow +WARNING: Fix property/atom mol, charge, rmass, temperature, or heatflow w/out ghost communication (src/fix_property_atom.cpp:206) +fix 1 all balance 100 1.0 shift xy 5 1.1 +fix 2 all nve/sphere +fix 3 all heat/flow 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 +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 + +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 4 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 5 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 + +compute 1 all property/atom temperature heatflow +#dump 1 all custom 1000 ${name}.dump id type radius mass x y z c_1[*] + +run 100000 +Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +Particle insertion: 594 every 2000 steps, 1000 by step 2001 +Particle insertion: 594 every 2000 steps, 1000 by step 2001 +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/atomonly/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: Fewer insertions than requested (489 vs 594) on step 1 (src/GRANULAR/fix_pour.cpp:704) +WARNING: Fewer insertions than requested (47 vs 594) on step 1 (src/GRANULAR/fix_pour.cpp:704) + 100 536 -0 0 0 4.6811911 + 200 536 -0 0 0 5.6797483 + 300 536 -0 6.8222297e-06 7.9364907e-07 6.0030142 + 400 536 -0 1.2380304e-05 4.1163985e-06 7.1079885 + 500 536 -0 5.0798523e-05 2.3503762e-05 7.4647331 + 600 536 -0 3.2665448e-05 1.1453035e-05 8.5894728 + 700 536 -0 0.0011586888 1.3423354e-05 9.3069458 + 800 536 -0 8.4905997e-05 2.18434e-05 10.524813 + 900 536 -0 8.4822083e-05 1.8906433e-05 11.419746 + 1000 536 -0 0.00054512741 0.0010459885 12.77762 + 1100 536 -0 0.00012683795 4.4723709e-05 13.910985 + 1200 536 -0 0.00027222894 0.03574143 13.939873 + 1300 536 -0 0.029115941 0.062648541 13.862143 + 1400 536 -0 0.13287418 0.091529354 13.839124 + 1500 536 -0 0.082139737 0.15744394 13.175827 + 1600 536 -0 0.20050079 0.15931829 12.864423 + 1700 536 -0 0.17747265 0.21795825 12.660869 + 1800 536 -0 0.24166587 0.2433198 12.287486 + 1900 536 -0 0.49320762 0.48292943 11.815806 + 2000 536 -0 0.35756519 0.38112072 10.720582 +WARNING: Fewer insertions than requested (430 vs 511) on step 2001 (src/GRANULAR/fix_pour.cpp:704) +WARNING: Fewer insertions than requested (21 vs 594) on step 2001 (src/GRANULAR/fix_pour.cpp:704) + 2100 987 -0 0.57480822 0.7055039 13.198337 + 2200 987 -0 0.65579595 0.51996477 12.580706 + 2300 987 -0 0.58403742 0.5663925 12.493918 + 2400 987 -0 0.69241913 0.61657016 12.619855 + 2500 987 -0 0.63560221 0.76725519 12.90392 + 2600 987 -0 0.79158105 0.9387755 12.115713 + 2700 987 -0 0.86648255 0.75562612 11.432459 + 2800 987 -0 0.63787508 0.52763085 11.894359 + 2900 987 -0 1.0769616 1.0304826 11.814084 + 3000 987 -0 1.0966004 1.1079156 11.930444 + 3100 987 -0 1.2244934 1.3323474 10.997543 + 3200 987 -0 0.74637635 0.67770631 10.73711 + 3300 987 -0 0.86541544 0.97935352 11.894365 + 3400 987 -0 1.2471811 1.2520152 11.539582 + 3500 987 -0 1.1196013 1.0916432 10.726988 + 3600 987 -0 1.2114732 1.3243312 10.754796 + 3700 987 -0 1.1862475 1.1228448 10.733382 + 3800 987 -0 1.4715148 1.4105344 10.295455 + 3900 987 -0 1.4115712 1.4870767 9.8125732 + 4000 987 -0 1.5525348 1.4331873 9.4988077 +WARNING: Fewer insertions than requested (413 vs 594) on step 4001 (src/GRANULAR/fix_pour.cpp:704) + 4100 1481 -0 1.5315773 1.4762201 12.831474 + 4200 1481 -0 1.4574116 1.4020927 12.854989 + 4300 1481 -0 1.5846517 1.7308227 13.162519 + 4400 1481 -0 1.742607 2.0420261 13.783053 + 4500 1481 -0 1.7408689 1.7338836 12.821152 + 4600 1481 -0 2.0764077 1.8532477 13.243302 + 4700 1481 -0 1.7772757 1.6999854 12.65184 + 4800 1481 -0 1.6662007 1.864206 13.237706 + 4900 1481 -0 1.9535748 1.7791548 13.131531 + 5000 1481 -0 2.0558845 2.2078238 13.435913 + 5100 1481 -0 2.4709503 2.4919498 13.584581 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4.1589129 4.2320085 5.0194702 + 99100 2000 -0 4.1590218 4.2319876 5.0194311 + 99200 2000 -0 4.1589282 4.2319947 5.0194618 + 99300 2000 -0 4.1590051 4.2319892 5.0194433 + 99400 2000 -0 4.1589518 4.2319796 5.0194519 + 99500 2000 -0 4.1589791 4.2319892 5.0194581 + 99600 2000 -0 4.1589797 4.2319654 5.0194425 + 99700 2000 -0 4.1589497 4.231991 5.0194703 + 99800 2000 -0 4.1590057 4.231955 5.0194348 + 99900 2000 -0 4.1589274 4.2319912 5.0194779 + 100000 2000 -0 4.1590239 4.2319489 5.0194293 +Loop time of 58.561 on 1 procs for 100000 steps with 2000 atoms + +Performance: 147538.500 tau/day, 1707.622 timesteps/s, 3.415 Matom-step/s +99.5% CPU use with 1 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 40.831 | 40.831 | 40.831 | 0.0 | 69.72 +Neigh | 2.0253 | 2.0253 | 2.0253 | 0.0 | 3.46 +Comm | 0.59712 | 0.59712 | 0.59712 | 0.0 | 1.02 +Output | 0.018865 | 0.018865 | 0.018865 | 0.0 | 0.03 +Modify | 14.758 | 14.758 | 14.758 | 0.0 | 25.20 +Other | | 0.3306 | | | 0.56 + +Nlocal: 2000 ave 2000 max 2000 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 493 ave 493 max 493 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 9583 ave 9583 max 9583 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 9583 +Ave neighs/atom = 4.7915 +Neighbor list builds = 4901 +Dangerous builds = 0 + +Total wall time: 0:00:58 diff --git a/examples/granular/log.29Jul26.pour.heat.g++.4 b/examples/granular/log.29Jul26.pour.heat.g++.4 new file mode 100644 index 00000000000..499cd7eb09c --- /dev/null +++ b/examples/granular/log.29Jul26.pour.heat.g++.4 @@ -0,0 +1,1170 @@ +LAMMPS (4 Jul 2026 - Development - patch_4Jul2026-308-g7ee3eb9867-modified) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. + using 1 OpenMP thread(s) per MPI task +# pour one types of particles into cylinder and oscillate +# temperature of the bottom plate + +variable name string heat_plate + +atom_style sphere +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 property/atom temperature heatflow +WARNING: Fix property/atom mol, charge, rmass, temperature, or heatflow w/out ghost communication (src/fix_property_atom.cpp:206) +fix 1 all balance 100 1.0 shift xy 5 1.1 +fix 2 all nve/sphere +fix 3 all heat/flow 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 +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 + +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 4 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 5 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 + +compute 1 all property/atom temperature heatflow +#dump 1 all custom 1000 ${name}.dump id type radius mass x y z c_1[*] + +run 100000 +Generated 0 of 1 mixed pair_coeff terms from geometric mixing rule +Particle insertion: 594 every 2000 steps, 1000 by step 2001 +Particle insertion: 594 every 2000 steps, 1000 by step 2001 +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/atomonly/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: Fewer insertions than requested (489 vs 594) on step 1 (src/GRANULAR/fix_pour.cpp:704) +WARNING: Fewer insertions than requested (47 vs 594) on step 1 (src/GRANULAR/fix_pour.cpp:704) + 100 536 -0 0 0 4.6811911 + 200 536 -0 0 0 5.6797483 + 300 536 -0 6.8222297e-06 7.9364907e-07 6.0030142 + 400 536 -0 1.2380304e-05 4.1163985e-06 7.1079885 + 500 536 -0 5.0798523e-05 2.3503762e-05 7.4647331 + 600 536 -0 3.2665448e-05 1.1453035e-05 8.5894728 + 700 536 -0 0.0011586888 1.3423354e-05 9.3069458 + 800 536 -0 8.4905997e-05 2.18434e-05 10.524813 + 900 536 -0 8.4822083e-05 1.8906433e-05 11.419746 + 1000 536 -0 0.00054512741 0.0010459885 12.77762 + 1100 536 -0 0.00012683795 4.4723709e-05 13.910985 + 1200 536 -0 0.00027222894 0.03574143 13.939873 + 1300 536 -0 0.029115941 0.062648541 13.862143 + 1400 536 -0 0.13287418 0.091529354 13.839124 + 1500 536 -0 0.082139737 0.15744394 13.175827 + 1600 536 -0 0.20050079 0.15931829 12.864423 + 1700 536 -0 0.17747263 0.21795822 12.660869 + 1800 536 -0 0.24166606 0.2433207 12.287484 + 1900 536 -0 0.49229508 0.48313401 11.814602 + 2000 536 -0 0.36138845 0.3593239 10.701227 +WARNING: Fewer insertions than requested (430 vs 511) on step 2001 (src/GRANULAR/fix_pour.cpp:704) +WARNING: Fewer insertions than requested (21 vs 594) on step 2001 (src/GRANULAR/fix_pour.cpp:704) + 2100 987 -0 0.60523826 0.66942786 13.15987 + 2200 987 -0 0.61842189 0.53452844 12.52356 + 2300 987 -0 0.57946192 0.51237047 12.576943 + 2400 987 -0 0.80266706 0.66058806 12.849776 + 2500 987 -0 0.65302005 0.72279473 12.960424 + 2600 987 -0 0.8022881 0.77502338 12.3587 + 2700 987 -0 0.69037405 0.72173202 11.203632 + 2800 987 -0 0.62408242 0.68174999 11.968052 + 2900 987 -0 0.91697366 0.96423121 11.719052 + 3000 987 -0 1.0275584 1.0990144 11.708721 + 3100 987 -0 1.2440585 1.3257118 10.85287 + 3200 987 -0 0.74500204 0.74764553 10.58104 + 3300 987 -0 0.99042261 0.94201261 11.728463 + 3400 987 -0 1.1809084 1.1580091 11.33932 + 3500 987 -0 1.138088 1.1336618 10.616489 + 3600 987 -0 1.0508262 1.1455433 10.439846 + 3700 987 -0 1.2355486 1.2024325 10.691404 + 3800 987 -0 1.4470401 1.5001939 10.451838 + 3900 987 -0 1.2832958 1.259266 9.378016 + 4000 987 -0 1.7758864 1.7960531 10.083466 +WARNING: Fewer insertions than requested (413 vs 594) on step 4001 (src/GRANULAR/fix_pour.cpp:704) + 4100 1481 -0 1.4319398 1.4545193 13.220805 + 4200 1481 -0 1.4058038 1.4391555 12.95013 + 4300 1481 -0 1.493632 1.583596 13.202695 + 4400 1481 -0 1.8285888 1.9959698 14.112287 + 4500 1481 -0 1.8730639 1.8674196 12.784209 + 4600 1481 -0 1.8483094 1.9879598 12.952661 + 4700 1481 -0 1.8115832 1.7809359 12.670222 + 4800 1481 -0 1.8663862 1.848975 13.184648 + 4900 1481 -0 1.9520085 2.0549305 13.234366 + 5000 1481 -0 2.1473309 2.0389312 13.344065 + 5100 1481 -0 2.1383324 2.2550895 13.819779 + 5200 1481 -0 2.7787134 2.9478125 13.900938 + 5300 1481 -0 2.8019816 2.7956538 13.005283 + 5400 1481 -0 3.0513862 3.0449947 13.050317 + 5500 1481 -0 2.8720486 2.7839111 12.163 + 5600 1481 -0 2.6002438 2.7021736 11.46591 + 5700 1481 -0 2.4724897 2.6025186 11.365178 + 5800 1481 -0 2.9615246 2.9079721 11.675849 + 5900 1481 -0 2.6808864 2.772159 10.643368 + 6000 1481 -0 2.9111902 2.9665355 11.056291 +WARNING: Fewer insertions than requested (441 vs 519) on step 6001 (src/GRANULAR/fix_pour.cpp:704) + 6100 1922 -0 3.3170077 3.4595702 14.307915 + 6200 1922 -0 2.7983357 2.8964183 12.983179 + 6300 1922 -0 2.8812785 2.9557885 13.475695 + 6400 1922 -0 3.8292108 4.1374836 15.14502 + 6500 1922 -0 3.529043 3.868821 14.155786 + 6600 1922 -0 3.2646402 3.3938493 12.722801 + 6700 1922 -0 3.8097124 3.9696252 14.106619 + 6800 1922 -0 3.7086319 4.0281551 13.404889 + 6900 1922 -0 3.3155655 3.5518666 12.460491 + 7000 1922 -0 3.4668285 3.563306 13.416295 + 7100 1922 -0 4.0257567 4.1552616 13.825852 + 7200 1922 -0 3.9975566 4.2495351 13.472548 + 7300 1922 -0 3.5352104 3.7280491 12.328049 + 7400 1922 -0 3.929409 4.0769466 12.964346 + 7500 1922 -0 3.915754 4.1377518 12.752993 + 7600 1922 -0 3.9904866 4.1460295 12.247301 + 7700 1922 -0 3.8249133 3.9806866 12.242324 + 7800 1922 -0 4.2906645 4.5900769 12.532009 + 7900 1922 -0 4.1306399 4.346922 12.336795 + 8000 1922 -0 4.2000503 4.3169297 12.200255 + 8100 2000 -0 4.3722382 4.4575171 12.188917 + 8200 2000 -0 4.6038036 4.9099202 12.171892 + 8300 2000 -0 4.740021 5.0685708 11.406021 + 8400 2000 -0 4.5040591 4.6254533 10.589054 + 8500 2000 -0 4.8081703 5.0356263 10.351136 + 8600 2000 -0 4.9599912 5.2643556 9.9841636 + 8700 2000 -0 4.9239134 5.1932295 8.8721088 + 8800 2000 -0 4.8829976 5.0423532 7.8044739 + 8900 2000 -0 4.2987735 4.5222201 6.8606137 + 9000 2000 -0 3.888573 4.1299166 5.9284618 + 9100 2000 -0 3.9707999 4.1491234 6.0765943 + 9200 2000 -0 4.178964 4.4834416 6.6887778 + 9300 2000 -0 4.0810451 4.2541817 6.5956527 + 9400 2000 -0 4.211463 4.3841075 6.356435 + 9500 2000 -0 4.1925466 4.4163505 6.7388063 + 9600 2000 -0 4.2319163 4.3899175 6.8507977 + 9700 2000 -0 4.2907846 4.507497 6.3796681 + 9800 2000 -0 4.3655394 4.4546295 6.3534838 + 9900 2000 -0 4.1520257 4.3192778 5.9437895 + 10000 2000 -0 4.0596866 4.2299293 5.6981317 + 10100 2000 -0 4.2666732 4.406766 5.98295 + 10200 2000 -0 4.334495 4.5080097 6.1556315 + 10300 2000 -0 4.3250375 4.4621697 5.9375359 + 10400 2000 -0 4.2969851 4.4451919 5.5659153 + 10500 2000 -0 4.1696144 4.3598164 5.4762093 + 10600 2000 -0 4.2369276 4.4074917 5.5474525 + 10700 2000 -0 4.2620264 4.4354995 5.4313107 + 10800 2000 -0 4.1998558 4.3522052 5.174953 + 10900 2000 -0 4.1510238 4.3298603 5.0614039 + 11000 2000 -0 4.1127343 4.2938384 4.9824429 + 11100 2000 -0 4.1296197 4.3050931 5.0320622 + 11200 2000 -0 4.1363162 4.3087851 5.0651659 + 11300 2000 -0 4.125471 4.2915109 4.9966064 + 11400 2000 -0 4.1204037 4.2892202 5.0140637 + 11500 2000 -0 4.1362944 4.3005297 5.055487 + 11600 2000 -0 4.1252889 4.2956119 5.0151786 + 11700 2000 -0 4.1250468 4.2933826 5.0087038 + 11800 2000 -0 4.1343062 4.3038193 5.0388339 + 11900 2000 -0 4.1324826 4.2995025 5.0205165 + 12000 2000 -0 4.1314924 4.2997201 5.0188853 + 12100 2000 -0 4.1294683 4.3011084 5.0263727 + 12200 2000 -0 4.132384 4.301434 5.0281037 + 12300 2000 -0 4.1294455 4.2994187 5.015501 + 12400 2000 -0 4.1302042 4.300133 5.024373 + 12500 2000 -0 4.1318572 4.3008975 5.0279652 + 12600 2000 -0 4.1314061 4.2990976 5.0183131 + 12700 2000 -0 4.1316575 4.3003611 5.024031 + 12800 2000 -0 4.1326055 4.301375 5.0239648 + 12900 2000 -0 4.1310701 4.3004771 5.0207292 + 13000 2000 -0 4.1314245 4.29961 5.0210531 + 13100 2000 -0 4.1315415 4.3005477 5.0220937 + 13200 2000 -0 4.1322283 4.3010979 5.0237605 + 13300 2000 -0 4.1322251 4.3009616 5.0221083 + 13400 2000 -0 4.1310005 4.3008614 5.0205902 + 13500 2000 -0 4.132502 4.3011561 5.0239526 + 13600 2000 -0 4.131986 4.3013707 5.0235375 + 13700 2000 -0 4.1313003 4.3003656 5.0219201 + 13800 2000 -0 4.1319946 4.3005966 5.0227986 + 13900 2000 -0 4.1317187 4.3008772 5.0233185 + 14000 2000 -0 4.1318223 4.3002396 5.0225484 + 14100 2000 -0 4.1316412 4.2998507 5.0218153 + 14200 2000 -0 4.1317982 4.3005741 5.0224787 + 14300 2000 -0 4.1319106 4.3004928 5.0227614 + 14400 2000 -0 4.1318026 4.3003873 5.0220094 + 14500 2000 -0 4.1318381 4.3003515 5.0220363 + 14600 2000 -0 4.1319172 4.3004458 5.022432 + 14700 2000 -0 4.131907 4.3003257 5.0220549 + 14800 2000 -0 4.1318422 4.3002878 5.0217754 + 14900 2000 -0 4.1319482 4.3003469 5.0222162 + 15000 2000 -0 4.13193 4.3003008 5.0219352 + 15100 2000 -0 4.1318981 4.3002249 5.0217001 + 15200 2000 -0 4.1319642 4.3002511 5.0218918 + 15300 2000 -0 4.1319747 4.3002491 5.0218326 + 15400 2000 -0 4.1319506 4.3001745 5.0215971 + 15500 2000 -0 4.1319785 4.300174 5.0216544 + 15600 2000 -0 4.1320063 4.3001748 5.0216943 + 15700 2000 -0 4.1319815 4.3001235 5.0215201 + 15800 2000 -0 4.1319904 4.3000944 5.0214871 + 15900 2000 -0 4.1320133 4.3000878 5.0215439 + 16000 2000 -0 4.1320011 4.3000444 5.0214284 + 16100 2000 -0 4.1320075 4.3000063 5.0213559 + 16200 2000 -0 4.132053 4.299987 5.0213884 + 16300 2000 -0 4.1320902 4.2999607 5.0213159 + 16400 2000 -0 4.132096 4.2999212 5.0212494 + 16500 2000 -0 4.1321325 4.2998894 5.0212534 + 16600 2000 -0 4.1321553 4.299856 5.0212036 + 16700 2000 -0 4.1321748 4.2998216 5.0211364 + 16800 2000 -0 4.1322125 4.2997929 5.0211194 + 16900 2000 -0 4.1322471 4.2997587 5.0210787 + 17000 2000 -0 4.132273 4.2997174 5.0210168 + 17100 2000 -0 4.1322993 4.2996816 5.0209883 + 17200 2000 -0 4.1323244 4.2996445 5.0209593 + 17300 2000 -0 4.1323397 4.2996019 5.0209107 + 17400 2000 -0 4.1323574 4.2995644 5.0208738 + 17500 2000 -0 4.1323816 4.2995363 5.0208445 + 17600 2000 -0 4.1324053 4.2994876 5.0207986 + 17700 2000 -0 4.132427 4.2994479 5.0207576 + 17800 2000 -0 4.1324513 4.2994023 5.020723 + 17900 2000 -0 4.1324733 4.2993512 5.0206878 + 18000 2000 -0 4.1324961 4.2992998 5.0206513 + 18100 2000 -0 4.1325181 4.2992494 5.0206171 + 18200 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99000 2000 -0 4.1318609 4.2955114 5.0189559 + 99100 2000 -0 4.1318577 4.2955095 5.0189571 + 99200 2000 -0 4.1318548 4.295507 5.0189584 + 99300 2000 -0 4.1318517 4.2955049 5.0189598 + 99400 2000 -0 4.1318488 4.295503 5.0189601 + 99500 2000 -0 4.1318457 4.2955006 5.0189622 + 99600 2000 -0 4.1318427 4.2954983 5.0189636 + 99700 2000 -0 4.1318398 4.295496 5.0189649 + 99800 2000 -0 4.1318367 4.2954939 5.0189662 + 99900 2000 -0 4.1318337 4.2954917 5.0189674 + 100000 2000 -0 4.1318309 4.2954897 5.018968 +Loop time of 17.5134 on 4 procs for 100000 steps with 2000 atoms + +Performance: 493337.305 tau/day, 5709.923 timesteps/s, 11.420 Matom-step/s +98.9% CPU use with 4 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 9.6893 | 10.012 | 10.58 | 10.8 | 57.17 +Neigh | 0.4104 | 0.41988 | 0.43531 | 1.6 | 2.40 +Comm | 1.5022 | 2.1416 | 2.5283 | 26.3 | 12.23 +Output | 0.0096902 | 0.010793 | 0.013791 | 1.7 | 0.06 +Modify | 4.6834 | 4.7352 | 4.7923 | 1.8 | 27.04 +Other | | 0.1943 | | | 1.11 + +Nlocal: 500 ave 504 max 496 min +Histogram: 2 0 0 0 0 0 0 0 0 2 +Nghost: 540.25 ave 544 max 534 min +Histogram: 1 0 0 0 0 1 0 0 0 2 +Neighs: 2415 ave 2560 max 2355 min +Histogram: 2 1 0 0 0 0 0 0 0 1 + +Total # of neighbors = 9660 +Ave neighs/atom = 4.83 +Neighbor list builds = 4887 +Dangerous builds = 0 + +Total wall time: 0:00:17 From b2dfb2000c0f905fb32ed40c7f019ab9bf4186f7 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 29 Jul 2026 18:04:00 -0400 Subject: [PATCH 5/6] fix typo in docs --- doc/src/pair_granular.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/doc/src/pair_granular.rst b/doc/src/pair_granular.rst index f1b39fe2b83..13d83fdc844 100644 --- a/doc/src/pair_granular.rst +++ b/doc/src/pair_granular.rst @@ -419,7 +419,7 @@ error check is performed on this. .. versionchanged:: TBD This numerical solution is from :ref:`(Marshall, 2009) ` -where the factor of :math:`sqrt{2}` arises from a difference in convention +where the factor of :math:`\sqrt{2}` arises from a difference in convention from Tsuji when defining :math:`\alpha` using either the mass vs. effective mass. This factor was missing in earlier versions of LAMMPS. From 8c86df7d4e0e9dc4a04d6ce8cea7da875e71002f Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 29 Jul 2026 18:04:16 -0400 Subject: [PATCH 6/6] port fix to legacy KOKKOS style --- src/KOKKOS/fix_wall_gran_old.cpp | 1 + 1 file changed, 1 insertion(+) diff --git a/src/KOKKOS/fix_wall_gran_old.cpp b/src/KOKKOS/fix_wall_gran_old.cpp index 1a4d8b783fe..da2c8f56dd8 100644 --- a/src/KOKKOS/fix_wall_gran_old.cpp +++ b/src/KOKKOS/fix_wall_gran_old.cpp @@ -549,6 +549,7 @@ void FixWallGranOld::init() normal_coeffs[1] = 1.2728-4.2783*cor+11.087*pow(cor,2)-22.348*pow(cor,3)+ 27.467*pow(cor,4)-18.022*pow(cor,5)+ 4.8218*pow(cor,6); + normal_coeffs[1] *= MY_SQRT2; } } }