Enter a model name: === Verification check vc-memory-leak start (2024-10-09 15:34:33) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MurallesParkKim_NiTi__MO_182729415169_000 Supported species : Ni Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -42.59157649601796 Forces: 1 -2.58264521e+00 -5.48942495e+00 -5.00842630e+00 2 -1.54891856e+00 7.04272330e+00 -2.43576902e+00 3 5.46478010e+00 -9.05886104e+00 -5.62643400e+00 4 -5.51979500e+00 4.48035465e+00 -6.81522384e-02 5 1.71585304e+00 -1.25018547e+01 -6.58469847e-01 6 1.81950074e+00 4.84505066e+00 -3.60302470e+00 7 3.81736742e+00 -1.65976387e+01 -1.57570849e+01 8 -8.83752254e+00 -8.37098637e+00 -2.89718572e+00 9 -5.52285860e+00 -5.03203174e+00 -9.48660403e+00 10 -2.57320813e+00 1.14148636e+01 -1.17132952e+01 11 -2.75280706e+00 -7.83577483e+00 1.52900940e+00 12 -6.11787237e+00 8.92086453e+00 1.19946975e+00 13 -3.93052900e+00 -9.40696406e+00 -2.36432878e+01 14 4.25288839e+00 6.79883215e+00 -3.40960238e+00 15 2.22276787e+01 -2.85924604e+00 5.14775119e+00 16 4.19409947e+00 1.87503394e+01 7.51524114e+00 17 -1.06151188e+01 -6.49167092e+00 -2.37811036e+00 18 6.45011948e+00 8.71632105e+00 6.57802437e+00 19 2.81024393e+00 -7.59171162e+00 3.37259956e+00 20 -2.83945699e+00 5.23381179e+00 4.47897948e+00 21 -7.80937902e+00 -6.05523641e+00 5.09609366e+00 22 1.13199177e+01 1.34776481e+01 1.01382085e+01 23 2.56990513e+00 -1.16535199e+00 6.18572504e+00 24 1.93289235e+00 4.47179435e+00 1.74208742e+00 25 -8.66175589e+00 -3.38902506e+00 6.39690596e+00 26 -3.89103461e+00 1.17325189e+01 -5.52112994e+00 27 5.14832272e+00 -1.88096394e+01 6.59120749e+00 28 -1.43319488e+01 1.23973200e+01 2.70034553e+00 29 -4.58822332e+00 -7.61945624e+00 6.44413105e+00 30 4.10287250e+00 9.50306020e+00 -9.67996482e-01 31 8.80189606e+00 -8.04071650e+00 8.71689886e+00 32 5.49473612e+00 8.53008803e+00 9.34189454e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -42.59157649601796 Forces: 1 -2.58264521e+00 -5.48942495e+00 -5.00842630e+00 2 -1.54891856e+00 7.04272330e+00 -2.43576902e+00 3 5.46478010e+00 -9.05886104e+00 -5.62643400e+00 4 -5.51979500e+00 4.48035465e+00 -6.81522384e-02 5 1.71585304e+00 -1.25018547e+01 -6.58469847e-01 6 1.81950074e+00 4.84505066e+00 -3.60302470e+00 7 3.81736742e+00 -1.65976387e+01 -1.57570849e+01 8 -8.83752254e+00 -8.37098637e+00 -2.89718572e+00 9 -5.52285860e+00 -5.03203174e+00 -9.48660403e+00 10 -2.57320813e+00 1.14148636e+01 -1.17132952e+01 11 -2.75280706e+00 -7.83577483e+00 1.52900940e+00 12 -6.11787237e+00 8.92086453e+00 1.19946975e+00 13 -3.93052900e+00 -9.40696406e+00 -2.36432878e+01 14 4.25288839e+00 6.79883215e+00 -3.40960238e+00 15 2.22276787e+01 -2.85924604e+00 5.14775119e+00 16 4.19409947e+00 1.87503394e+01 7.51524114e+00 17 -1.06151188e+01 -6.49167092e+00 -2.37811036e+00 18 6.45011948e+00 8.71632105e+00 6.57802437e+00 19 2.81024393e+00 -7.59171162e+00 3.37259956e+00 20 -2.83945699e+00 5.23381179e+00 4.47897948e+00 21 -7.80937902e+00 -6.05523641e+00 5.09609366e+00 22 1.13199177e+01 1.34776481e+01 1.01382085e+01 23 2.56990513e+00 -1.16535199e+00 6.18572504e+00 24 1.93289235e+00 4.47179435e+00 1.74208742e+00 25 -8.66175589e+00 -3.38902506e+00 6.39690596e+00 26 -3.89103461e+00 1.17325189e+01 -5.52112994e+00 27 5.14832272e+00 -1.88096394e+01 6.59120749e+00 28 -1.43319488e+01 1.23973200e+01 2.70034553e+00 29 -4.58822332e+00 -7.61945624e+00 6.44413105e+00 30 4.10287250e+00 9.50306020e+00 -9.67996482e-01 31 8.80189606e+00 -8.04071650e+00 8.71689886e+00 32 5.49473612e+00 8.53008803e+00 9.34189454e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 179.86044610582226 Forces: 1 -5.94426317e+00 -7.85807448e+00 -4.53124454e+00 2 -2.24379613e+01 2.58841763e+01 -3.75407019e+01 3 -2.69891543e+01 -3.68395099e+01 1.75720530e+00 4 -2.25844279e+01 1.52152162e+00 1.47042322e+00 5 2.78805671e+01 -4.67587077e+01 -2.15886200e+01 6 8.15023469e+00 -2.18698447e+01 -2.62574028e+01 7 7.96124215e+00 -1.09663872e+01 -1.22188070e+00 8 2.83209133e+01 1.53601746e+01 7.50149983e+00 9 -5.98045230e+00 2.10165587e-01 -9.21033256e+00 10 -1.03485150e+01 1.85809535e+01 -1.58073830e+01 11 -1.92444154e+01 2.08491024e+00 -1.56380653e+01 12 -9.60536309e+00 1.33404683e+01 -6.09135539e+00 13 6.56767472e+00 -7.76458515e+00 -2.24137627e+01 14 4.76495767e+00 8.35507255e+00 -3.76872543e+00 15 1.45213470e+01 1.98929590e+01 1.53420368e+01 16 5.62253311e+00 3.13853277e+01 -2.09341482e+01 17 -2.28313223e+01 -2.02202775e+01 -1.61608949e+01 18 -5.79258223e+00 1.99776749e+01 1.40928360e+01 19 1.38513266e+01 -2.27660096e+01 3.60605337e+01 20 -2.98621037e+01 2.08122021e+01 1.60930584e+01 21 1.74045511e+01 -3.37666669e+01 -2.13159650e+00 22 1.10795801e+01 9.11433893e+00 -6.53984306e+00 23 1.36746066e+01 -1.53281327e+01 1.34391682e+01 24 -3.37495936e+00 -1.03194229e+01 1.90787130e+01 25 -1.84803702e+01 -1.08172222e+01 5.33294353e+00 26 -9.80688631e+00 3.43861344e+01 -5.01260817e+00 27 -1.60236397e+01 6.74116846e+00 2.53580132e+01 28 -8.41056088e+00 6.50714928e+00 1.37259072e+01 29 2.80319506e+01 -2.10148074e+01 1.72666797e+01 30 2.53018519e+01 1.35140833e+01 9.50546927e+00 31 1.89028390e+01 1.27699883e+01 6.10693085e+00 32 5.68080152e+00 5.85117935e+00 1.27171470e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 179.86044610582226 Forces: 1 -5.94426317e+00 -7.85807448e+00 -4.53124454e+00 2 -2.24379613e+01 2.58841763e+01 -3.75407019e+01 3 -2.69891543e+01 -3.68395099e+01 1.75720530e+00 4 -2.25844279e+01 1.52152162e+00 1.47042322e+00 5 2.78805671e+01 -4.67587077e+01 -2.15886200e+01 6 8.15023469e+00 -2.18698447e+01 -2.62574028e+01 7 7.96124215e+00 -1.09663872e+01 -1.22188070e+00 8 2.83209133e+01 1.53601746e+01 7.50149983e+00 9 -5.98045230e+00 2.10165587e-01 -9.21033256e+00 10 -1.03485150e+01 1.85809535e+01 -1.58073830e+01 11 -1.92444154e+01 2.08491024e+00 -1.56380653e+01 12 -9.60536309e+00 1.33404683e+01 -6.09135539e+00 13 6.56767472e+00 -7.76458515e+00 -2.24137627e+01 14 4.76495767e+00 8.35507255e+00 -3.76872543e+00 15 1.45213470e+01 1.98929590e+01 1.53420368e+01 16 5.62253311e+00 3.13853277e+01 -2.09341482e+01 17 -2.28313223e+01 -2.02202775e+01 -1.61608949e+01 18 -5.79258223e+00 1.99776749e+01 1.40928360e+01 19 1.38513266e+01 -2.27660096e+01 3.60605337e+01 20 -2.98621037e+01 2.08122021e+01 1.60930584e+01 21 1.74045511e+01 -3.37666669e+01 -2.13159650e+00 22 1.10795801e+01 9.11433893e+00 -6.53984306e+00 23 1.36746066e+01 -1.53281327e+01 1.34391682e+01 24 -3.37495936e+00 -1.03194229e+01 1.90787130e+01 25 -1.84803702e+01 -1.08172222e+01 5.33294353e+00 26 -9.80688631e+00 3.43861344e+01 -5.01260817e+00 27 -1.60236397e+01 6.74116846e+00 2.53580132e+01 28 -8.41056088e+00 6.50714928e+00 1.37259072e+01 29 2.80319506e+01 -2.10148074e+01 1.72666797e+01 30 2.53018519e+01 1.35140833e+01 9.50546927e+00 31 1.89028390e+01 1.27699883e+01 6.10693085e+00 32 5.68080152e+00 5.85117935e+00 1.27171470e+01 MIXED STRUCTURE (pbc=False)-- Species = Ni Ti (Configuration in file "config-F-NiTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 90.46144499403094 Forces: 1 -1.08956716e+01 -1.31123852e+01 -1.02200969e+01 2 1.09407616e+01 9.67643467e+00 -3.24216976e+01 3 -9.06199931e+00 -2.72411285e+01 3.52632487e+01 4 -2.63706787e+01 6.05211912e+00 1.18693119e+01 5 1.34164799e+01 -2.21871900e+01 -3.72169853e+01 6 1.80463837e+01 7.82942773e+00 -2.30219856e+01 7 1.78050314e+01 -2.46273544e+01 1.23434996e+01 8 -1.02801334e+01 5.63489529e-01 1.26722531e+01 9 -1.79695701e+01 1.71346708e+01 -5.52550854e+00 10 3.86279371e+00 1.09169692e+01 -8.22089577e+00 11 -3.29210748e+00 -7.80377542e+00 -7.05338893e+00 12 -9.29213780e+00 4.64686356e+00 -3.22064421e+00 13 1.48281909e+00 1.04207887e+01 -1.35394667e+01 14 4.51264837e+00 4.65581292e+00 -5.80541304e+00 15 1.42879949e+01 3.24310660e+00 3.65332263e-01 16 -3.84478226e+00 1.97975103e+01 -1.48720078e+01 17 -4.12148260e+00 -7.88517224e+00 5.19709394e+00 18 -7.05697959e+00 5.84683301e+00 -6.18301065e+00 19 -8.15921068e+00 -7.99171999e+00 1.20724413e+01 20 -7.84319499e+00 -5.62889119e+00 4.94881935e+00 21 -5.31805420e+00 -1.43883865e+01 -1.44095465e+01 22 2.19801779e+01 7.65418806e+00 -5.81274416e+00 23 2.09241249e+01 -1.48821789e+01 2.23319378e+01 24 -6.81019934e+00 8.00564316e+00 9.47052967e+00 25 -2.08127656e+01 -1.29457975e+01 1.39333631e+00 26 1.37751773e+01 2.95693656e+01 -5.88568468e+00 27 1.50954604e+01 2.28444139e+00 1.32980549e+01 28 -1.58918625e+01 1.03426008e+01 2.03705695e+01 29 -9.13851072e+00 -2.01878203e+01 7.53574771e+00 30 1.46161201e+01 9.73359366e+00 6.45321873e-01 31 1.03250435e+01 1.44753722e+00 8.46353599e+00 32 -4.91167584e+00 9.06040424e+00 1.51680426e+01 MIXED STRUCTURE (pbc=True)-- Species = Ni Ti (Configuration in file "config-T-NiTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 76.74502366839509 Forces: 1 -8.86038593e+00 -1.00265428e+01 -1.91739425e+01 2 1.55380477e+01 8.52447516e+00 -2.69927644e+01 3 -1.02157750e+01 -2.77950895e+01 3.48092557e+01 4 -1.73815997e+01 7.29280694e+00 1.37046459e+01 5 1.51969724e+01 -1.12353088e+01 -3.56361191e+01 6 1.39539452e+01 1.11661295e+01 -1.51988848e+01 7 1.90870778e+01 -1.75008947e+01 1.48963065e+01 8 -9.42127090e+00 9.56451425e-01 1.20989687e+01 9 -5.79572527e+00 1.92687165e+01 1.37805282e+00 10 2.04896619e+00 8.42805482e+00 -6.70064506e+00 11 -2.74195768e+00 -8.10221337e+00 -6.98522041e+00 12 -8.10025608e+00 1.44339366e+00 -1.49704998e+00 13 1.51439179e+00 9.25766528e+00 -1.25189607e+01 14 2.64285462e+00 4.20351040e+00 -6.37329965e+00 15 6.96107675e+00 1.96537947e+00 1.16410032e+00 16 -8.80019182e+00 2.48274901e+00 -9.62779306e+00 17 1.34560936e+00 -6.19914533e+00 3.42023493e+00 18 -7.53997936e+00 5.83907781e+00 -7.47434525e+00 19 -9.35351701e+00 -7.50986994e+00 1.15266508e+01 20 -1.23888576e+01 -6.73554220e+00 -8.60236741e+00 21 -9.47727307e+00 -8.57833720e+00 -1.58897610e+01 22 1.25744589e+01 7.21044844e+00 -3.55366573e+00 23 2.16442738e+01 -1.12465229e+01 1.95287560e+01 24 -6.52587241e+00 5.26544614e+00 4.66018717e+00 25 -1.14336026e+01 -1.24716975e+01 -2.03417735e-01 26 1.48519656e+01 2.94979757e+01 -5.53522913e+00 27 1.46345105e+01 2.30392468e+00 1.27187618e+01 28 -5.80667229e+00 1.92085507e+01 2.40612894e+01 29 -8.41452682e+00 -1.86103248e+01 7.35487942e+00 30 9.97924795e+00 6.29151465e+00 -2.63768843e+00 31 -2.19292859e-01 -8.80212457e-01 1.00082433e+01 32 -9.49664205e+00 -3.71456873e+00 1.32708217e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==67235== Memcheck, a memory error detector ==67235== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==67235== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==67235== Command: python runner2.py MEAM_LAMMPS_MurallesParkKim_NiTi__MO_182729415169_000 ==67235== ==67235== Mismatched free() / delete / delete [] ==67235== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==67235== by 0x3959E41C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x394714EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x39472C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x3945BDB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x3945F59E: ModelDriverCreateRoutine (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x38CBD30E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.3.0) ==67235== by 0x38CBE208: 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.2.3.0) ==67235== by 0x38CC2B82: 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.2.3.0) ==67235== by 0x38C72606: 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.2.3.0) ==67235== by 0x38BCFD8D: operator() (KIM_Model_bind.cpp:400) ==67235== by 0x38BCFD8D: pybind11::tuple pybind11::detail::argument_loader, std::allocator > const&>::call_impl, std::allocator > const&)#21}&, 0ul, 1ul, 2ul, 3ul, 4ul, 5ul, 6ul, pybind11::detail::void_type>(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}&, std::integer_sequence, pybind11::detail::void_type&&) && [clone .isra.0] (cast.h:1624) ==67235== by 0x38BD15CC: 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) (cast.h:1593) ==67235== Address 0x1ebedaf0 is 0 bytes inside a block of size 1,024 alloc'd ==67235== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==67235== by 0x3959DBA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x394714EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x39472C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x3945BDB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x3945F59E: ModelDriverCreateRoutine (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x38CBD30E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.3.0) ==67235== by 0x38CBE208: 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.2.3.0) ==67235== by 0x38CC2B82: 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.2.3.0) ==67235== by 0x38C72606: 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.2.3.0) ==67235== by 0x38BCFD8D: operator() (KIM_Model_bind.cpp:400) ==67235== by 0x38BCFD8D: pybind11::tuple pybind11::detail::argument_loader, std::allocator > const&>::call_impl, std::allocator > const&)#21}&, 0ul, 1ul, 2ul, 3ul, 4ul, 5ul, 6ul, pybind11::detail::void_type>(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}&, std::integer_sequence, pybind11::detail::void_type&&) && [clone .isra.0] (cast.h:1624) ==67235== by 0x38BD15CC: 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) (cast.h:1593) ==67235== ==67235== Mismatched free() / delete / delete [] ==67235== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==67235== by 0x39598DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x3947151A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x39472C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x3945BDB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x3945F59E: ModelDriverCreateRoutine (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x38CBD30E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.3.0) ==67235== by 0x38CBE208: 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.2.3.0) ==67235== by 0x38CC2B82: 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.2.3.0) ==67235== by 0x38C72606: 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.2.3.0) ==67235== by 0x38BCFD8D: operator() (KIM_Model_bind.cpp:400) ==67235== by 0x38BCFD8D: pybind11::tuple pybind11::detail::argument_loader, std::allocator > const&>::call_impl, std::allocator > const&)#21}&, 0ul, 1ul, 2ul, 3ul, 4ul, 5ul, 6ul, pybind11::detail::void_type>(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}&, std::integer_sequence, pybind11::detail::void_type&&) && [clone .isra.0] (cast.h:1624) ==67235== by 0x38BD15CC: 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) (cast.h:1593) ==67235== Address 0x1ebeedd0 is 0 bytes inside a block of size 1,024 alloc'd ==67235== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==67235== by 0x39598BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x3947151A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x39472C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x3945BDB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x3945F59E: ModelDriverCreateRoutine (in /jet/home/ga2640/jobs/jobs/1260e811-d4f0-46c8-ba28-28f26957ef55-007/VC_561022993723_004-and-MO_182729415169_000-1728502319/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==67235== by 0x38CBD30E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.3.0) ==67235== by 0x38CBE208: 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.2.3.0) ==67235== by 0x38CC2B82: 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.2.3.0) ==67235== by 0x38C72606: 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.2.3.0) ==67235== by 0x38BCFD8D: operator() (KIM_Model_bind.cpp:400) ==67235== by 0x38BCFD8D: pybind11::tuple pybind11::detail::argument_loader, std::allocator > const&>::call_impl, std::allocator > const&)#21}&, 0ul, 1ul, 2ul, 3ul, 4ul, 5ul, 6ul, pybind11::detail::void_type>(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}&, std::integer_sequence, pybind11::detail::void_type&&) && [clone .isra.0] (cast.h:1624) ==67235== by 0x38BD15CC: 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) (cast.h:1593) ==67235== ==67235== Conditional jump or move depends on uninitialised value(s) ==67235== at 0x6572487: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==67235== by 0x666ECFC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==67235== by 0x6677E77: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==67235== by 0x5F30C0: ??? (in /usr/bin/python3.8) ==67235== by 0x5F3384: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==67235== by 0x6584AC5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==67235== by 0x50F36E: PyNumber_Add (in /usr/bin/python3.8) ==67235== by 0x56C2F1: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==67235== by 0x5F5CA5: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==67235== by 0x56BCF6: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==67235== by 0x569DF9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==67235== by 0x5F5E82: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==67235== ==67235== ==67235== HEAP SUMMARY: ==67235== in use at exit: 2,277,534 bytes in 1,714 blocks ==67235== total heap usage: 105,808 allocs, 104,094 frees, 183,024,705 bytes allocated ==67235== ==67235== LEAK SUMMARY: ==67235== definitely lost: 0 bytes in 0 blocks ==67235== indirectly lost: 0 bytes in 0 blocks ==67235== possibly lost: 188,754 bytes in 107 blocks ==67235== still reachable: 2,088,748 bytes in 1,606 blocks ==67235== of which reachable via heuristic: ==67235== stdstring : 38 bytes in 1 blocks ==67235== suppressed: 32 bytes in 1 blocks ==67235== Rerun with --leak-check=full to see details of leaked memory ==67235== ==67235== Use --track-origins=yes to see where uninitialised values come from ==67235== For lists of detected and suppressed errors, rerun with: -s ==67235== ERROR SUMMARY: 40 errors from 3 contexts (suppressed: 18705 from 597) ================================================================================ 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. === Verification check vc-memory-leak end (2024-10-09 15:35:27) ===