!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! VERIFICATION CHECK: vc-memory-leak !!!!! !!!!! !!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Description: Check that the model has no memory leaks. This is tested using the Valgrind memory debugging tool (http://valgrind.org) by performing a series of energy and force calculations on a randomly distorted face-centered cubic (FCC) cube base structure for both non-periodic and periodic boundary conditions. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. Configurations used for testing are provided as auxiliary files. Author: Ellad Tadmor and Daniel S. Karls ----------------------------------------------------------------------------------------------------- Results for KIM Model : MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_000 Supported species : Al Li random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 223.17131343975345 Forces: 1 -1.20031585e+01 -7.45692547e+00 -7.52089987e+00 2 4.64907214e+00 2.51838419e+00 -2.19382485e+01 3 2.04403981e+00 -2.13715299e+01 1.14401383e+00 4 -1.75997706e+01 8.18712500e+00 3.28916031e+00 5 -4.58484216e+00 -1.16274900e+01 -8.15558629e+00 6 1.73922304e+01 -4.31497824e+00 -1.72990421e+01 7 6.71109683e+00 -2.57382235e+01 -1.27928441e+01 8 5.28469433e-01 2.43819671e+01 1.40611762e+01 9 -1.38175857e+01 -7.31428254e+00 -1.96208209e+01 10 3.61910579e+00 2.08916078e+01 -1.58134083e+01 11 -5.18924881e+00 -1.99303155e+01 1.49329925e+00 12 -2.27646294e+01 1.65156019e+01 4.17068005e+00 13 1.00659113e+01 2.90195560e+00 -1.77207868e+01 14 1.37044172e+01 8.53569681e+00 -1.44008995e+01 15 2.36232029e+01 -1.67285467e+01 -1.59902939e-01 16 -1.72945346e+01 2.82593017e+01 2.19024286e+00 17 -1.05944575e+01 -8.82750252e+00 -4.08664798e+00 18 2.10991896e+00 4.90783030e+00 -5.92422174e-01 19 6.58728714e+00 -9.89482649e+00 8.97695108e+00 20 -1.19951553e+01 5.95513262e+00 1.31131576e+01 21 -4.92118400e+00 -2.03392944e+01 3.90222172e+00 22 1.95866678e+01 5.18904901e+00 -9.84373857e-02 23 1.02601055e+01 -4.15792648e+00 1.10778701e+01 24 -6.04660552e+00 4.70996163e-01 1.70413247e+01 25 -1.90145103e+01 -8.42424666e+00 -6.50608473e+00 26 9.18611008e+00 1.88179226e+01 -6.93632224e+00 27 -1.10692321e+01 2.08663357e+00 1.62329035e+01 28 -1.63463638e+01 2.49712892e+00 1.85008163e+01 29 2.10219490e+00 -7.21897077e+00 3.67713159e+00 30 1.85564541e+01 1.27735281e+01 3.21166962e+00 31 1.25730989e+01 -1.47673080e-01 1.29960692e+01 32 9.94189524e+00 8.60287081e+00 1.85636658e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 275.24690464154077 Forces: 1 -1.30955360e+01 -8.28720706e+00 -8.51481059e+00 2 5.38494022e+00 3.50937530e+00 -2.48283790e+01 3 2.69712979e+00 -2.41892725e+01 1.36369826e+00 4 -2.00725834e+01 9.41331438e+00 3.82910050e+00 5 -5.13684200e+00 -1.36856042e+01 -8.07205028e+00 6 2.03633359e+01 -5.06643445e+00 -1.94356790e+01 7 5.29169148e+00 -2.62634830e+01 -1.51600357e+01 8 1.34204667e+00 2.67389841e+01 1.63245582e+01 9 -1.56553900e+01 -8.58032633e+00 -2.16656755e+01 10 3.78326977e+00 2.42737049e+01 -1.77833117e+01 11 -5.23635369e+00 -2.30176008e+01 2.18154323e+00 12 -2.58407489e+01 1.86661320e+01 5.10672016e+00 13 1.27634847e+01 3.11217741e+00 -1.85269481e+01 14 1.54748625e+01 9.88501982e+00 -1.72224303e+01 15 2.48536633e+01 -1.98617845e+01 -5.08956969e-01 16 -2.02790241e+01 3.09543855e+01 2.58398493e+00 17 -1.21106790e+01 -9.95684054e+00 -4.86620222e+00 18 3.15961433e+00 5.51872182e+00 -1.21575511e+00 19 7.71563463e+00 -1.09052562e+01 1.03554838e+01 20 -1.38172694e+01 7.04349062e+00 1.51215645e+01 21 -5.69557554e+00 -2.30531153e+01 3.97702786e+00 22 2.26702512e+01 6.52568418e+00 -6.51010422e-02 23 1.11637770e+01 -4.93161376e+00 1.28136203e+01 24 -6.76641833e+00 1.93019181e-01 1.90742608e+01 25 -2.05346197e+01 -9.14133583e+00 -8.13882403e+00 26 1.08670508e+01 1.99449749e+01 -8.22000155e+00 27 -9.97348768e+00 -1.51344351e-01 1.80361399e+01 28 -2.10376147e+01 5.11825350e+00 2.14353379e+01 29 2.43988306e+00 -7.63549911e+00 2.89819786e+00 30 2.10528106e+01 1.38874884e+01 3.95419241e+00 31 1.35440923e+01 -2.05762718e-01 1.39061827e+01 32 1.06846041e+01 1.01477547e+01 2.12625478e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Li (Configuration in file "config-F-Li.xyz") ----------------------------------------------------------------------------------------------------- Energy = -17.27629495879887 Forces: 1 -9.44482089e-01 -9.74152005e-01 -3.64459735e-01 2 1.08129302e+00 6.35774185e-01 -1.93174260e+00 3 8.24626170e-01 -2.93679200e+00 1.45343539e-01 4 -3.63441435e+00 1.14525543e-01 3.31538795e-01 5 3.11990252e-01 -6.70831262e-01 -1.59317407e+00 6 3.21569453e-01 7.82626519e-02 -6.45404647e-01 7 1.42723100e+00 -1.14452033e+00 -2.28674785e-01 8 2.81406260e-01 -1.02669933e+00 9.10153212e-01 9 -1.55553068e+00 1.33070987e+00 -2.17652200e+00 10 -2.01782965e+00 1.94497253e+00 -2.18266428e-02 11 -3.63805198e-01 3.05475277e+00 -7.92654029e-01 12 -7.29762322e-01 1.06208999e+00 -8.18697495e-01 13 2.50501815e+00 -1.15946932e+00 -3.61836033e+00 14 1.34223119e+00 7.13040592e-01 -1.23981069e+00 15 2.30590821e+00 -7.99868210e-02 -4.96538124e-01 16 -1.97746856e+00 1.42559950e+00 5.12520876e-01 17 -1.00261457e+00 -1.61341274e+00 1.50455150e+00 18 1.20386950e-01 3.40836724e-01 1.70696286e+00 19 -9.44537746e-01 -1.35159754e+00 1.77134284e-01 20 -1.50833486e+00 -1.05773293e+00 9.92016436e-01 21 -1.30899525e+00 -1.95270906e+00 -1.02916482e+00 22 1.16762124e+00 9.19375744e-02 2.74478589e-01 23 1.28413299e+00 -9.50008632e-01 1.44389272e+00 24 -1.30225138e-01 6.73259771e-01 2.02597457e+00 25 -4.31296536e-01 -2.16803957e+00 1.90928039e-01 26 1.15598725e+00 5.67936612e-01 -1.76416873e+00 27 6.24719003e-01 3.15913378e-01 2.05638280e+00 28 -1.14447151e+00 9.76485339e-01 1.10184042e+00 29 3.12615761e-01 5.74930742e-01 4.06674008e-01 30 9.83909650e-01 1.14349018e+00 9.98143255e-01 31 1.55332667e+00 6.21888506e-01 9.37641895e-01 32 8.97952377e-02 1.41954508e+00 1.00502090e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Li (Configuration in file "config-T-Li.xyz") ----------------------------------------------------------------------------------------------------- Energy = -17.5305272714068 Forces: 1 -9.83065605e-01 -1.00432659e+00 -4.17666814e-01 2 1.14374511e+00 5.68718009e-01 -1.94921992e+00 3 8.17932636e-01 -2.87493990e+00 1.67202055e-01 4 -3.59780982e+00 1.00565747e-01 3.51741157e-01 5 3.04714468e-01 -6.31825301e-01 -1.59375067e+00 6 3.44319740e-01 -1.24133456e-03 -6.96595908e-01 7 1.47440422e+00 -1.13199902e+00 -2.36316270e-01 8 2.34628598e-01 -1.01465887e+00 9.30835604e-01 9 -1.52544477e+00 1.36297426e+00 -2.10920621e+00 10 -2.02361237e+00 1.91356863e+00 -4.75424399e-02 11 -4.02812572e-01 3.08279231e+00 -7.95644425e-01 12 -7.28337937e-01 1.05118537e+00 -8.29702234e-01 13 2.44638011e+00 -1.20860001e+00 -3.59503459e+00 14 1.32776243e+00 7.42086504e-01 -1.19311387e+00 15 2.26138122e+00 -4.12413956e-02 -4.91220746e-01 16 -1.90421504e+00 1.44919786e+00 5.05367252e-01 17 -9.87314923e-01 -1.62136707e+00 1.54505206e+00 18 1.54090973e-01 3.78404036e-01 1.65027603e+00 19 -9.70397574e-01 -1.36666123e+00 1.46644314e-01 20 -1.51850840e+00 -1.08455540e+00 9.96731900e-01 21 -1.34584605e+00 -1.95283809e+00 -1.01782360e+00 22 1.17465913e+00 7.15602546e-02 2.75663461e-01 23 1.28208887e+00 -9.46563545e-01 1.43587656e+00 24 -1.08225889e-01 7.12773182e-01 2.04894632e+00 25 -4.43390044e-01 -2.15125345e+00 2.30021497e-01 26 1.15857722e+00 5.76748774e-01 -1.79311004e+00 27 6.43836328e-01 3.17975190e-01 2.03128042e+00 28 -1.14395783e+00 9.76914645e-01 1.09998980e+00 29 2.55747072e-01 5.43974881e-01 4.00338713e-01 30 1.00628964e+00 1.13753443e+00 1.03534996e+00 31 1.56840367e+00 6.42862279e-01 8.99562510e-01 32 8.39773878e-02 1.40223484e+00 1.01506813e+00 MIXED STRUCTURE (pbc=False)-- Species = Al Li (Configuration in file "config-F-AlLi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 58.311835520467184 Forces: 1 -1.17374442e+00 -1.64013013e+00 -1.66349355e+00 2 -4.06711962e+00 -2.13090606e+00 -6.39736298e+00 3 -1.37795274e+00 -4.37428854e+00 -4.12049139e-01 4 -5.39409898e+00 2.34462315e+00 -5.45846640e+00 5 1.16680709e+00 -5.05968521e+00 -3.73327121e+00 6 3.90935012e+00 -1.22825851e+00 -2.77738489e+00 7 6.74518480e+00 -5.10743878e+00 -6.56029154e+00 8 -2.34894014e+00 6.76783813e+00 -3.06860520e+00 9 -1.79413300e+00 2.49853919e-01 -2.22564030e+00 10 -2.26450525e+00 3.82042028e+00 -6.07130109e+00 11 -5.32365932e+00 1.99383964e+00 3.16768057e+00 12 -5.71622972e+00 1.60621007e+00 4.25353133e+00 13 6.69969206e-01 -3.83870857e+00 -1.11695665e+01 14 1.25598377e+01 5.78917609e+00 -9.39862362e+00 15 8.44350100e+00 5.76517609e-01 -7.15580056e-01 16 -6.12198112e+00 5.54163905e+00 9.45243406e+00 17 -1.19956122e+01 -7.30403979e+00 -4.55228883e+00 18 -1.71752706e+00 2.19774392e+00 -5.59942035e+00 19 -5.03516882e-01 -1.06126841e+01 1.18949025e+01 20 -7.64979490e+00 3.22968857e+00 8.69808508e+00 21 -8.34759117e+00 -1.42814161e+01 -4.26162149e+00 22 1.55266283e+01 1.03112719e+01 -4.62170169e+00 23 1.59335608e+01 -8.52872743e+00 1.26695365e+01 24 -5.64331722e+00 2.53409346e+00 1.34126990e+01 25 -3.64300501e+00 1.19357359e+00 2.10639325e-01 26 1.55387340e+00 5.16104189e+00 -3.68035860e-01 27 1.58527778e+00 4.98788352e-01 4.04590381e+00 28 -1.53883862e+00 5.75680713e-01 -2.60026805e-03 29 1.47847159e+00 3.06801260e+00 1.99194933e+00 30 1.85315246e+00 7.42252394e+00 -3.13689643e+00 31 4.09847045e+00 -2.38449882e+00 1.01233831e+01 32 1.09748267e+00 1.60824520e+00 2.27345678e+00 MIXED STRUCTURE (pbc=True)-- Species = Al Li (Configuration in file "config-T-AlLi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 33.57476767273314 Forces: 1 -1.63796821e+00 1.79401987e+00 -4.08328319e+00 2 -2.18817098e+00 -2.49012653e+00 -2.37972561e+00 3 -3.99985798e-01 2.22106059e+00 1.27911778e+00 4 1.28338703e-01 3.81355369e+00 -3.56703520e+00 5 -3.79308049e-02 8.09525330e-01 -1.25199060e+00 6 5.89943061e-01 -4.84447657e-01 -9.12995499e-01 7 -2.88414869e+00 2.15796650e+00 -3.51747489e+00 8 3.65816943e+00 2.47561646e+00 -5.19613901e-01 9 -8.84383530e-02 9.03846504e-01 -5.11427500e-01 10 -1.99897980e+00 -3.92426440e+00 -3.49123273e+00 11 -4.56194000e+00 1.59808161e+00 2.91591934e+00 12 2.69206142e+00 -6.55881643e+00 -7.17911347e-01 13 2.31051739e+00 8.60391163e-01 -5.46388221e+00 14 7.77140647e+00 -5.59728485e-01 -9.32265908e+00 15 2.24572974e+00 -1.19943422e+00 -1.06734363e+00 16 -7.27575364e+00 2.10262274e+00 9.08049265e+00 17 -2.34745796e+00 -6.48887739e-01 3.04939195e+00 18 -2.26883485e+00 5.74960940e+00 -2.69556312e+00 19 -1.96712701e+00 -5.32348933e+00 5.49871545e+00 20 1.82694476e+00 9.32186174e-01 5.30440329e+00 21 2.31931778e+00 -1.10979305e+01 -2.70292326e+00 22 5.27099612e+00 9.83681469e+00 -1.05323363e+01 23 5.37450313e+00 -8.63905633e+00 9.29871908e+00 24 -6.33446361e+00 6.01305706e+00 1.17941870e+01 25 2.22917105e+00 -1.27379416e+00 1.15981028e+00 26 -2.13757343e-01 2.06726246e+00 -6.16720211e-01 27 1.60399192e+00 -1.07229160e+00 -2.05432550e+00 28 2.54648434e+00 4.09228278e+00 6.52681696e-01 29 8.07690067e-02 6.80627046e-01 3.05560170e+00 30 -4.82300445e+00 4.18918459e-01 -3.50673793e+00 31 -4.43682639e+00 -1.68976372e+00 6.73692160e+00 32 2.81644359e+00 -3.56541139e+00 -9.10780155e-01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==35600== Memcheck, a memory error detector ==35600== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==35600== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==35600== Command: python runner2.py MEAM_LAMMPS_RoyDuttaChakraborti_2021_AlLi__MO_971738391444_000 ==35600== ==37865== Warning: invalid file descriptor 255988 in syscall close() ==37865== Warning: invalid file descriptor 255989 in syscall close() ==37865== Warning: invalid file descriptor 255990 in syscall close() ==37865== Warning: invalid file descriptor 255991 in syscall close() ==37865== Use --log-fd= to select an alternative log fd. ==37865== Warning: invalid file descriptor 255992 in syscall close() ==37865== Warning: invalid file descriptor 255993 in syscall close() ==35600== Mismatched free() / delete / delete [] ==35600== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==35600== by 0x119CE839C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x119BBB54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x119BBCC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x119BA5DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x119BA95CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x39E1EF1E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==35600== by 0x39E1FE18: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==35600== by 0x39E24762: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==35600== by 0x39DD4246: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==35600== by 0x26E924C7: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==35600== by 0x26EA62E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==35600== Address 0x920ea240 is 0 bytes inside a block of size 1,024 alloc'd ==35600== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==35600== by 0x119CE7B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x119BBB54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x119BBCC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x119BA5DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x119BA95CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x39E1EF1E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==35600== by 0x39E1FE18: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==35600== by 0x39E24762: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==35600== by 0x39DD4246: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==35600== by 0x26E924C7: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==35600== by 0x26EA62E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==35600== ==35600== Mismatched free() / delete / delete [] ==35600== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==35600== by 0x119CE2DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x119BBB578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x119BBCC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x119BA5DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x119BA95CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x39E1EF1E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==35600== by 0x39E1FE18: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==35600== by 0x39E24762: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==35600== by 0x39DD4246: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==35600== by 0x26E924C7: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==35600== by 0x26EA62E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==35600== Address 0x920eb480 is 0 bytes inside a block of size 1,024 alloc'd ==35600== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==35600== by 0x119CE2BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x119BBB578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x119BBCC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x119BA5DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x119BA95CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-d9dd6b62-3a45-4052-b39b-418a9703dfee-007-bc7401c1-4d8d-4434-a026-dd3939083832/VC_561022993723_003-and-MO_971738391444_000-1657578864/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==35600== by 0x39E1EF1E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==35600== by 0x39E1FE18: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==35600== by 0x39E24762: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==35600== by 0x39DD4246: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==35600== by 0x26E924C7: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==35600== by 0x26EA62E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==35600== ==35600== ==35600== HEAP SUMMARY: ==35600== in use at exit: 2,203,207 bytes in 1,644 blocks ==35600== total heap usage: 96,646 allocs, 95,002 frees, 120,378,621 bytes allocated ==35600== ==35600== LEAK SUMMARY: ==35600== definitely lost: 0 bytes in 0 blocks ==35600== indirectly lost: 0 bytes in 0 blocks ==35600== possibly lost: 198,622 bytes in 101 blocks ==35600== still reachable: 2,004,553 bytes in 1,542 blocks ==35600== suppressed: 32 bytes in 1 blocks ==35600== Rerun with --leak-check=full to see details of leaked memory ==35600== ==35600== For lists of detected and suppressed errors, rerun with: -s ==35600== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9263 from 561) ================================================================================ To pass this verification check the number of bytes that are "definitely lost" or "indirectly lost" must be zero. NOTE that Valgrind will typically report non-zero "possibly lost" bytes due to Python's internal memory allocation and garbage collection that it does not monitor. Full Valgrind output written to auxiliary file "valgrind.out" Grade: P Comment: No memory leak detected.