!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimLeeBaskes_2006_Zr__MO_392493010449_000 Supported species : Zr random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Zr (Configuration in file "config-F-Zr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 259.03837334208185 Forces: 1 -1.09162705e+01 -1.87867648e+01 -2.31900688e+01 2 -5.44783384e+00 2.79955045e-01 -2.16287084e+01 3 8.48432945e+00 -1.71152929e+01 -6.76873089e+00 4 -1.83796603e+01 1.78038136e+01 5.04592748e+00 5 3.23052240e+00 -2.29982616e+01 -1.21734016e+01 6 1.40538037e+01 1.53467845e+00 -1.76151821e+01 7 1.62299272e+01 -3.15501782e+01 -1.84346529e+01 8 -1.39754315e+01 -1.33455311e+01 -2.85508816e+00 9 -2.31044832e+01 -2.29841347e+00 -2.30972994e+01 10 -9.46488383e+00 3.64314538e+01 -2.64133346e+01 11 -1.71717266e+01 -1.66620543e+01 1.22787499e+01 12 -2.01313150e+01 2.39223336e+01 -7.32841636e+00 13 1.17782041e+01 -1.04780224e+01 -4.52283967e+01 14 1.49341091e+01 1.49124622e+01 -1.41659870e+01 15 4.28578824e+01 -2.13395123e-01 -6.95953117e+00 16 4.20464745e+00 3.85249729e+01 1.28482409e+01 17 -2.50404497e+01 -1.60043521e+01 4.97940150e+00 18 9.30153133e-01 8.93618182e+00 -8.74494554e+00 19 -1.61819071e+00 -2.56684904e+01 2.32688753e+01 20 -1.67847675e+01 6.47023083e+00 1.62748012e+01 21 -2.86115106e+00 -1.54914563e+01 1.08938412e+01 22 3.51525473e+01 7.72599473e+00 1.01797029e+01 23 1.43079134e+01 -6.77212096e+00 1.51652967e+01 24 -1.34732993e+00 6.18658340e-01 2.44391034e+01 25 -1.83106590e+01 -1.43152636e+01 6.89543725e+00 26 -9.64462840e-01 2.55448165e+01 -7.41727144e+00 27 3.89249085e+00 -2.20437992e+01 2.49316622e+01 28 -2.82652004e+01 2.23215291e+01 1.37935253e+01 29 -8.37484127e+00 -4.37600269e+00 7.99861697e+00 30 2.32189396e+01 2.43735075e+01 8.58119867e-01 31 2.10741041e+01 -8.78477916e+00 2.94317046e+01 32 7.80908293e+00 1.75035899e+01 2.27380084e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Zr (Configuration in file "config-T-Zr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 259.03837334208185 Forces: 1 -1.09162705e+01 -1.87867648e+01 -2.31900688e+01 2 -5.44783384e+00 2.79955045e-01 -2.16287084e+01 3 8.48432945e+00 -1.71152929e+01 -6.76873089e+00 4 -1.83796603e+01 1.78038136e+01 5.04592748e+00 5 3.23052240e+00 -2.29982616e+01 -1.21734016e+01 6 1.40538037e+01 1.53467845e+00 -1.76151821e+01 7 1.62299272e+01 -3.15501782e+01 -1.84346529e+01 8 -1.39754315e+01 -1.33455311e+01 -2.85508816e+00 9 -2.31044832e+01 -2.29841347e+00 -2.30972994e+01 10 -9.46488383e+00 3.64314538e+01 -2.64133346e+01 11 -1.71717266e+01 -1.66620543e+01 1.22787499e+01 12 -2.01313150e+01 2.39223336e+01 -7.32841636e+00 13 1.17782041e+01 -1.04780224e+01 -4.52283967e+01 14 1.49341091e+01 1.49124622e+01 -1.41659870e+01 15 4.28578824e+01 -2.13395123e-01 -6.95953117e+00 16 4.20464745e+00 3.85249729e+01 1.28482409e+01 17 -2.50404497e+01 -1.60043521e+01 4.97940150e+00 18 9.30153133e-01 8.93618182e+00 -8.74494554e+00 19 -1.61819071e+00 -2.56684904e+01 2.32688753e+01 20 -1.67847675e+01 6.47023083e+00 1.62748012e+01 21 -2.86115106e+00 -1.54914563e+01 1.08938412e+01 22 3.51525473e+01 7.72599473e+00 1.01797029e+01 23 1.43079134e+01 -6.77212096e+00 1.51652967e+01 24 -1.34732993e+00 6.18658340e-01 2.44391034e+01 25 -1.83106590e+01 -1.43152636e+01 6.89543725e+00 26 -9.64462840e-01 2.55448165e+01 -7.41727144e+00 27 3.89249085e+00 -2.20437992e+01 2.49316622e+01 28 -2.82652004e+01 2.23215291e+01 1.37935253e+01 29 -8.37484127e+00 -4.37600269e+00 7.99861697e+00 30 2.32189396e+01 2.43735075e+01 8.58119867e-01 31 2.10741041e+01 -8.78477916e+00 2.94317046e+01 32 7.80908293e+00 1.75035899e+01 2.27380084e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==209617== Memcheck, a memory error detector ==209617== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==209617== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==209617== Command: python runner2.py MEAM_LAMMPS_KimLeeBaskes_2006_Zr__MO_392493010449_000 ==209617== ==210673== Warning: invalid file descriptor 255988 in syscall close() ==210673== Warning: invalid file descriptor 255989 in syscall close() ==210673== Warning: invalid file descriptor 255990 in syscall close() ==210673== Warning: invalid file descriptor 255991 in syscall close() ==210673== Use --log-fd= to select an alternative log fd. ==210673== Warning: invalid file descriptor 255992 in syscall close() ==210673== Warning: invalid file descriptor 255993 in syscall close() ==209617== Mismatched free() / delete / delete [] ==209617== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==209617== by 0x4B31139C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x4B1E454D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x4B1E5C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x4B1CEDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x4B1D25CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x2B0B2F1E: 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) ==209617== by 0x2B0B3E18: 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) ==209617== by 0x2B0B8762: 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) ==209617== by 0x2B068246: 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) ==209617== by 0x208C94C7: 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) ==209617== by 0x208DD2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==209617== Address 0x57ae3d00 is 0 bytes inside a block of size 1,024 alloc'd ==209617== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==209617== by 0x4B310B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x4B1E454D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x4B1E5C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x4B1CEDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x4B1D25CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x2B0B2F1E: 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) ==209617== by 0x2B0B3E18: 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) ==209617== by 0x2B0B8762: 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) ==209617== by 0x2B068246: 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) ==209617== by 0x208C94C7: 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) ==209617== by 0x208DD2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==209617== ==209617== Mismatched free() / delete / delete [] ==209617== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==209617== by 0x4B30BDCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x4B1E4578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x4B1E5C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x4B1CEDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x4B1D25CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x2B0B2F1E: 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) ==209617== by 0x2B0B3E18: 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) ==209617== by 0x2B0B8762: 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) ==209617== by 0x2B068246: 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) ==209617== by 0x208C94C7: 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) ==209617== by 0x208DD2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==209617== Address 0x57ae4e40 is 0 bytes inside a block of size 1,024 alloc'd ==209617== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==209617== by 0x4B30BBAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x4B1E4578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x4B1E5C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x4B1CEDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x4B1D25CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-193f5c1c-a6a2-4b87-89a7-09e918166a5d-007-5f7518d2-422b-4438-9802-40622476545f/VC_561022993723_003-and-MO_392493010449_000-1657920925/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==209617== by 0x2B0B2F1E: 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) ==209617== by 0x2B0B3E18: 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) ==209617== by 0x2B0B8762: 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) ==209617== by 0x2B068246: 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) ==209617== by 0x208C94C7: 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) ==209617== by 0x208DD2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==209617== ==209617== ==209617== HEAP SUMMARY: ==209617== in use at exit: 2,202,999 bytes in 1,640 blocks ==209617== total heap usage: 50,226 allocs, 48,586 frees, 79,074,146 bytes allocated ==209617== ==209617== LEAK SUMMARY: ==209617== definitely lost: 0 bytes in 0 blocks ==209617== indirectly lost: 0 bytes in 0 blocks ==209617== possibly lost: 198,622 bytes in 101 blocks ==209617== still reachable: 2,004,345 bytes in 1,538 blocks ==209617== suppressed: 32 bytes in 1 blocks ==209617== Rerun with --leak-check=full to see details of leaked memory ==209617== ==209617== For lists of detected and suppressed errors, rerun with: -s ==209617== ERROR SUMMARY: 8 errors from 2 contexts (suppressed: 9019 from 548) ================================================================================ 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.