!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouDickelBaskes_2021_Bi__MO_221877348962_001 Supported species : Bi random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Bi (Configuration in file "config-F-Bi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 938.3963445420585 Forces: 1 -2.79742729e+01 -3.81397097e+01 -5.57957700e+01 2 -2.29834487e+01 5.83186351e+00 -5.71906080e+01 3 1.18410510e+01 -6.03684399e+01 -1.63409792e+01 4 -4.90931383e+01 3.87452609e+01 8.70505852e+00 5 1.27988989e+01 -5.57079764e+01 -3.37916939e+01 6 4.10192608e+01 -7.60134205e+00 -4.65893051e+01 7 3.25553292e+01 -7.52974635e+01 -3.38203866e+01 8 -2.28363319e+01 -3.46589130e+01 -1.71862285e+01 9 -3.68272392e+01 -2.37106240e+01 -5.19840748e+01 10 -1.46637618e+01 5.65306399e+01 -6.62927015e+01 11 -4.03711096e+01 -4.95964221e+01 -7.40998129e+00 12 -6.01508877e+01 5.38426293e+01 8.92821360e+00 13 8.29039934e+00 -5.85712059e+00 -1.18875980e+02 14 3.78587844e+01 3.16488462e+01 -3.18139734e+01 15 1.17056211e+02 5.48447191e-01 -6.41623299e+00 16 1.26995126e+01 1.15365456e+02 1.60157156e+01 17 -6.21164077e+01 -3.92575387e+01 6.49699378e+00 18 1.49733407e+01 2.75423268e+01 -1.88968071e+01 19 9.67480056e+00 -7.00089192e+01 6.34229611e+01 20 -5.80656300e+01 2.40348182e+01 3.76461003e+01 21 -1.57316603e+01 -7.11312291e+01 2.57503291e+01 22 8.51038190e+01 3.18536765e+01 3.61309189e+01 23 2.45853305e+01 -2.00783816e+01 3.50234240e+01 24 1.07644017e+01 -1.23624605e+01 5.51195360e+01 25 -8.08010841e+01 -8.57436471e+00 -1.56535454e+01 26 -1.79247654e+00 9.55501482e+01 -2.97573717e+00 27 9.76807454e+00 -6.38499840e+01 7.50336301e+01 28 -7.01705180e+01 6.33727839e+01 4.31611508e+01 29 -3.81036619e+00 -1.87123830e+01 3.51662450e+01 30 5.70570855e+01 5.58461736e+01 1.86142733e+01 31 5.07138551e+01 -3.21146937e+00 5.33651068e+01 32 3.06281782e+01 5.74116714e+01 6.24543481e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Bi (Configuration in file "config-T-Bi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 938.3963445420585 Forces: 1 -2.79742729e+01 -3.81397097e+01 -5.57957700e+01 2 -2.29834487e+01 5.83186351e+00 -5.71906080e+01 3 1.18410510e+01 -6.03684399e+01 -1.63409792e+01 4 -4.90931383e+01 3.87452609e+01 8.70505852e+00 5 1.27988989e+01 -5.57079764e+01 -3.37916939e+01 6 4.10192608e+01 -7.60134205e+00 -4.65893051e+01 7 3.25553292e+01 -7.52974635e+01 -3.38203866e+01 8 -2.28363319e+01 -3.46589130e+01 -1.71862285e+01 9 -3.68272392e+01 -2.37106240e+01 -5.19840748e+01 10 -1.46637618e+01 5.65306399e+01 -6.62927015e+01 11 -4.03711096e+01 -4.95964221e+01 -7.40998129e+00 12 -6.01508877e+01 5.38426293e+01 8.92821360e+00 13 8.29039934e+00 -5.85712059e+00 -1.18875980e+02 14 3.78587844e+01 3.16488462e+01 -3.18139734e+01 15 1.17056211e+02 5.48447191e-01 -6.41623299e+00 16 1.26995126e+01 1.15365456e+02 1.60157156e+01 17 -6.21164077e+01 -3.92575387e+01 6.49699378e+00 18 1.49733407e+01 2.75423268e+01 -1.88968071e+01 19 9.67480056e+00 -7.00089192e+01 6.34229611e+01 20 -5.80656300e+01 2.40348182e+01 3.76461003e+01 21 -1.57316603e+01 -7.11312291e+01 2.57503291e+01 22 8.51038190e+01 3.18536765e+01 3.61309189e+01 23 2.45853305e+01 -2.00783816e+01 3.50234240e+01 24 1.07644017e+01 -1.23624605e+01 5.51195360e+01 25 -8.08010841e+01 -8.57436471e+00 -1.56535454e+01 26 -1.79247654e+00 9.55501482e+01 -2.97573717e+00 27 9.76807454e+00 -6.38499840e+01 7.50336301e+01 28 -7.01705180e+01 6.33727839e+01 4.31611508e+01 29 -3.81036619e+00 -1.87123830e+01 3.51662450e+01 30 5.70570855e+01 5.58461736e+01 1.86142733e+01 31 5.07138551e+01 -3.21146937e+00 5.33651068e+01 32 3.06281782e+01 5.74116714e+01 6.24543481e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==178234== Memcheck, a memory error detector ==178234== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==178234== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==178234== Command: python runner2.py MEAM_LAMMPS_ZhouDickelBaskes_2021_Bi__MO_221877348962_001 ==178234== ==178234== Mismatched free() / delete / delete [] ==178234== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==178234== by 0x11C68D41C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11C5604EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11C561C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11C54ADB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11C54E59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11BDC6F1E: 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) ==178234== by 0x11BDC7E18: 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) ==178234== by 0x11BDCC762: 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) ==178234== by 0x11BD7C246: 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) ==178234== by 0x11BCDC647: 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) ==178234== by 0x11BCF214B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==178234== Address 0x90ee4f90 is 0 bytes inside a block of size 1,024 alloc'd ==178234== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==178234== by 0x11C68CBA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11C5604EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11C561C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11C54ADB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11C54E59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11BDC6F1E: 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) ==178234== by 0x11BDC7E18: 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) ==178234== by 0x11BDCC762: 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) ==178234== by 0x11BD7C246: 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) ==178234== by 0x11BCDC647: 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) ==178234== by 0x11BCF214B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==178234== ==178234== Mismatched free() / delete / delete [] ==178234== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==178234== by 0x11C687DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11C56051A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11C561C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11C54ADB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11C54E59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11BDC6F1E: 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) ==178234== by 0x11BDC7E18: 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) ==178234== by 0x11BDCC762: 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) ==178234== by 0x11BD7C246: 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) ==178234== by 0x11BCDC647: 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) ==178234== by 0x11BCF214B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==178234== Address 0x90ee6120 is 0 bytes inside a block of size 1,024 alloc'd ==178234== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==178234== by 0x11C687BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11C56051A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11C561C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11C54ADB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11C54E59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-cea9b456-08cd-4cf1-9fb9-a1b9f8aefba0-007-da0171d3-6899-413c-99f8-e2ff2b38275f/VC_561022993723_004-and-MO_221877348962_001-1683693065/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==178234== by 0x11BDC6F1E: 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) ==178234== by 0x11BDC7E18: 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) ==178234== by 0x11BDCC762: 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) ==178234== by 0x11BD7C246: 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) ==178234== by 0x11BCDC647: 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) ==178234== by 0x11BCF214B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==178234== ==178234== Conditional jump or move depends on uninitialised value(s) ==178234== at 0x659E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==178234== by 0x669AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==178234== by 0x66A3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==178234== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==178234== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==178234== by 0x65B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==178234== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==178234== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==178234== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==178234== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==178234== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==178234== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==178234== ==178234== ==178234== HEAP SUMMARY: ==178234== in use at exit: 2,273,255 bytes in 1,703 blocks ==178234== total heap usage: 60,771 allocs, 59,068 frees, 139,698,914 bytes allocated ==178234== ==178234== LEAK SUMMARY: ==178234== definitely lost: 0 bytes in 0 blocks ==178234== indirectly lost: 0 bytes in 0 blocks ==178234== possibly lost: 188,754 bytes in 107 blocks ==178234== still reachable: 2,084,469 bytes in 1,595 blocks ==178234== of which reachable via heuristic: ==178234== stdstring : 38 bytes in 1 blocks ==178234== suppressed: 32 bytes in 1 blocks ==178234== Rerun with --leak-check=full to see details of leaked memory ==178234== ==178234== Use --track-origins=yes to see where uninitialised values come from ==178234== For lists of detected and suppressed errors, rerun with: -s ==178234== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 16875 from 581) ================================================================================ 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.