!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LeeBaskesKim_2001_Nb__MO_802302521552_000 Supported species : Nb random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Nb (Configuration in file "config-F-Nb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.492652604947361 Forces: 1 -5.80273919e+00 -5.23300784e+00 -7.45358351e+00 2 -2.34559056e+00 -1.36706553e+00 -1.84518307e+01 3 1.98764274e+00 -1.76818904e+01 -4.07437731e+00 4 -1.74921804e+01 2.28029705e+00 -2.21415777e+00 5 -1.31986102e-01 -1.28030786e+01 -6.92510692e+00 6 8.39408181e+00 -3.12447881e+00 -1.19580464e+01 7 9.98792143e+00 -2.09007179e+01 -3.13031266e+00 8 -4.49951154e+00 -2.04689879e+01 -6.51190763e+00 9 -1.09170165e+01 -1.08713654e+00 -1.43366564e+01 10 -7.38850520e+00 2.23759620e+01 -1.86585440e+01 11 -1.25248838e+01 -1.31734996e+01 4.77235668e+00 12 -1.39964408e+01 1.18716934e+01 -9.71369614e-01 13 1.40686299e+01 6.59863997e+00 -2.96109217e+01 14 9.26072076e+00 8.51927955e+00 -9.52257282e+00 15 2.84950718e+01 5.02992474e+00 -1.10228357e+01 16 -4.48409655e+00 3.02435560e+01 5.27851370e+00 17 -1.68415373e+01 -1.32790876e+01 3.02247692e+00 18 2.14552612e+00 5.40228151e+00 -3.82264016e+00 19 2.97823189e+00 -1.31039365e+01 1.11193775e+01 20 -1.20811889e+01 2.57013259e+00 1.18213120e+01 21 -6.75281617e-01 -1.83222716e+01 4.82752819e+00 22 2.73081209e+01 -4.92154234e+00 1.49713845e+01 23 3.05061280e+00 -2.38740491e+00 5.15742705e+00 24 5.48450192e+00 -6.92689266e-01 1.40863870e+01 25 -2.13559972e+01 -3.07677421e+00 -9.26990567e+00 26 6.38454248e+00 2.64656632e+01 -5.98238010e+00 27 9.82811896e-01 -1.04676779e+01 2.61158890e+01 28 -1.89985032e+01 1.24947589e+01 1.51280308e+01 29 -3.57192264e+00 -9.83350690e-01 1.41820233e+01 30 1.42905287e+01 1.42546364e+01 2.69468415e+00 31 1.11762263e+01 1.69476598e+00 1.41630821e+01 32 7.11221036e+00 1.32730072e+01 1.65766760e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Nb (Configuration in file "config-T-Nb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.492652604947361 Forces: 1 -5.80273919e+00 -5.23300784e+00 -7.45358351e+00 2 -2.34559056e+00 -1.36706553e+00 -1.84518307e+01 3 1.98764274e+00 -1.76818904e+01 -4.07437731e+00 4 -1.74921804e+01 2.28029705e+00 -2.21415777e+00 5 -1.31986102e-01 -1.28030786e+01 -6.92510692e+00 6 8.39408181e+00 -3.12447881e+00 -1.19580464e+01 7 9.98792143e+00 -2.09007179e+01 -3.13031266e+00 8 -4.49951154e+00 -2.04689879e+01 -6.51190763e+00 9 -1.09170165e+01 -1.08713654e+00 -1.43366564e+01 10 -7.38850520e+00 2.23759620e+01 -1.86585440e+01 11 -1.25248838e+01 -1.31734996e+01 4.77235668e+00 12 -1.39964408e+01 1.18716934e+01 -9.71369614e-01 13 1.40686299e+01 6.59863997e+00 -2.96109217e+01 14 9.26072076e+00 8.51927955e+00 -9.52257282e+00 15 2.84950718e+01 5.02992474e+00 -1.10228357e+01 16 -4.48409655e+00 3.02435560e+01 5.27851370e+00 17 -1.68415373e+01 -1.32790876e+01 3.02247692e+00 18 2.14552612e+00 5.40228151e+00 -3.82264016e+00 19 2.97823189e+00 -1.31039365e+01 1.11193775e+01 20 -1.20811889e+01 2.57013259e+00 1.18213120e+01 21 -6.75281617e-01 -1.83222716e+01 4.82752819e+00 22 2.73081209e+01 -4.92154234e+00 1.49713845e+01 23 3.05061280e+00 -2.38740491e+00 5.15742705e+00 24 5.48450192e+00 -6.92689266e-01 1.40863870e+01 25 -2.13559972e+01 -3.07677421e+00 -9.26990567e+00 26 6.38454248e+00 2.64656632e+01 -5.98238010e+00 27 9.82811896e-01 -1.04676779e+01 2.61158890e+01 28 -1.89985032e+01 1.24947589e+01 1.51280308e+01 29 -3.57192264e+00 -9.83350690e-01 1.41820233e+01 30 1.42905287e+01 1.42546364e+01 2.69468415e+00 31 1.11762263e+01 1.69476598e+00 1.41630821e+01 32 7.11221036e+00 1.32730072e+01 1.65766760e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==114853== Memcheck, a memory error detector ==114853== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==114853== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==114853== Command: python runner2.py MEAM_LAMMPS_LeeBaskesKim_2001_Nb__MO_802302521552_000 ==114853== ==114853== Mismatched free() / delete / delete [] ==114853== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==114853== by 0x29BBA038C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29BA7354D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29BA74C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29BA5DDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29BA615CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29AE8E30E: 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) ==114853== by 0x29AE8F208: 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) ==114853== by 0x29AE93B82: 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) ==114853== by 0x29AE43606: 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) ==114853== by 0x29ADA36C7: 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) ==114853== by 0x29ADB917B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==114853== Address 0x29b40b2f0 is 0 bytes inside a block of size 1,024 alloc'd ==114853== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==114853== by 0x29BB9FB11: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29BA7354D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29BA74C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29BA5DDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29BA615CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29AE8E30E: 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) ==114853== by 0x29AE8F208: 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) ==114853== by 0x29AE93B82: 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) ==114853== by 0x29AE43606: 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) ==114853== by 0x29ADA36C7: 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) ==114853== by 0x29ADB917B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==114853== ==114853== Mismatched free() / delete / delete [] ==114853== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==114853== by 0x29BB9ADBD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29BA73578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29BA74C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29BA5DDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29BA615CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29AE8E30E: 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) ==114853== by 0x29AE8F208: 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) ==114853== by 0x29AE93B82: 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) ==114853== by 0x29AE43606: 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) ==114853== by 0x29ADA36C7: 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) ==114853== by 0x29ADB917B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==114853== Address 0x29b40c3e0 is 0 bytes inside a block of size 1,024 alloc'd ==114853== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==114853== by 0x29BB9AB9B: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29BA73578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29BA74C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29BA5DDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29BA615CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-f81057e2-7152-42e0-8c40-2f7c7c2d1398-007-a1c5ad5a-ff9d-48b9-8527-3fe6c3a161a4/VC_561022993723_004-and-MO_802302521552_000-1667944516/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==114853== by 0x29AE8E30E: 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) ==114853== by 0x29AE8F208: 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) ==114853== by 0x29AE93B82: 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) ==114853== by 0x29AE43606: 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) ==114853== by 0x29ADA36C7: 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) ==114853== by 0x29ADB917B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==114853== ==114853== ==114853== HEAP SUMMARY: ==114853== in use at exit: 2,119,694 bytes in 1,581 blocks ==114853== total heap usage: 60,734 allocs, 59,153 frees, 89,567,771 bytes allocated ==114853== ==114853== LEAK SUMMARY: ==114853== definitely lost: 0 bytes in 0 blocks ==114853== indirectly lost: 0 bytes in 0 blocks ==114853== possibly lost: 187,760 bytes in 97 blocks ==114853== still reachable: 1,931,902 bytes in 1,483 blocks ==114853== suppressed: 32 bytes in 1 blocks ==114853== Rerun with --leak-check=full to see details of leaked memory ==114853== ==114853== For lists of detected and suppressed errors, rerun with: -s ==114853== ERROR SUMMARY: 8 errors from 2 contexts (suppressed: 18762 from 590) ================================================================================ 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.