!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Mo__MO_805823015127_001 Supported species : Mo random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Mo (Configuration in file "config-F-Mo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 114.77942380436076 Forces: 1 -1.14887696e+01 -1.08960372e+01 -1.49558970e+01 2 -2.32693595e+00 -6.18391060e+00 -3.09657110e+01 3 1.11848173e+01 -2.54857439e+01 1.32284953e+00 4 -2.61025457e+01 9.54773890e+00 -7.22061188e-02 5 1.98093507e+00 -2.11474176e+01 -1.26847072e+01 6 1.79893292e+01 -9.16732597e+00 -2.40464740e+01 7 1.62435528e+01 -2.26745469e+01 -7.93748961e+00 8 -1.31587486e+01 -3.49370357e+01 1.14406605e+01 9 -1.84780557e+01 8.44634383e-01 -2.43521361e+01 10 -3.03936894e+00 3.08245826e+01 -2.64483145e+01 11 -2.18952434e+01 -1.00838551e+01 3.19697709e+00 12 -1.87231610e+01 1.91727159e+01 2.07016347e+00 13 1.82368332e+00 1.65619628e+00 -5.85044091e+01 14 1.33473559e+01 1.43866511e+01 -9.88977443e+00 15 5.57735785e+01 1.67789110e+01 3.05455358e+00 16 2.68239864e+00 5.07441287e+01 -6.51307380e+00 17 -2.37910557e+01 -1.43235355e+01 2.66489429e+00 18 -4.74592521e-01 1.16621056e+01 -8.84928717e+00 19 -1.10533740e+00 -2.93041118e+01 1.81604534e+01 20 -1.77435144e+01 4.48953574e+00 1.62202217e+01 21 -6.93448900e+00 -2.82408952e+01 2.71402686e+00 22 3.48472709e+01 8.08099460e+00 1.17120958e+01 23 9.71000721e+00 -4.55130864e+00 1.27012046e+01 24 9.67137346e+00 5.64026033e+00 2.25506152e+01 25 -2.60222053e+01 -6.02107496e+00 -2.72818844e+00 26 -9.76344561e+00 3.75040426e+01 -1.81649093e+00 27 -1.46509490e+01 -1.17837932e+01 3.19038300e+01 28 -1.97515862e+01 1.37230300e+01 1.57184450e+01 29 5.82825555e-01 -3.20699555e+01 1.23258003e+01 30 2.47065932e+01 2.09076680e+01 5.67778922e+00 31 2.17588383e+01 -6.73974645e+00 1.60833007e+01 32 1.31474447e+01 2.76470986e+01 4.02462782e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mo (Configuration in file "config-T-Mo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 114.77942380436076 Forces: 1 -1.14887696e+01 -1.08960372e+01 -1.49558970e+01 2 -2.32693595e+00 -6.18391060e+00 -3.09657110e+01 3 1.11848173e+01 -2.54857439e+01 1.32284953e+00 4 -2.61025457e+01 9.54773890e+00 -7.22061188e-02 5 1.98093507e+00 -2.11474176e+01 -1.26847072e+01 6 1.79893292e+01 -9.16732597e+00 -2.40464740e+01 7 1.62435528e+01 -2.26745469e+01 -7.93748961e+00 8 -1.31587486e+01 -3.49370357e+01 1.14406605e+01 9 -1.84780557e+01 8.44634383e-01 -2.43521361e+01 10 -3.03936894e+00 3.08245826e+01 -2.64483145e+01 11 -2.18952434e+01 -1.00838551e+01 3.19697709e+00 12 -1.87231610e+01 1.91727159e+01 2.07016347e+00 13 1.82368332e+00 1.65619628e+00 -5.85044091e+01 14 1.33473559e+01 1.43866511e+01 -9.88977443e+00 15 5.57735785e+01 1.67789110e+01 3.05455358e+00 16 2.68239864e+00 5.07441287e+01 -6.51307380e+00 17 -2.37910557e+01 -1.43235355e+01 2.66489429e+00 18 -4.74592521e-01 1.16621056e+01 -8.84928717e+00 19 -1.10533740e+00 -2.93041118e+01 1.81604534e+01 20 -1.77435144e+01 4.48953574e+00 1.62202217e+01 21 -6.93448900e+00 -2.82408952e+01 2.71402686e+00 22 3.48472709e+01 8.08099460e+00 1.17120958e+01 23 9.71000721e+00 -4.55130864e+00 1.27012046e+01 24 9.67137346e+00 5.64026033e+00 2.25506152e+01 25 -2.60222053e+01 -6.02107496e+00 -2.72818844e+00 26 -9.76344561e+00 3.75040426e+01 -1.81649093e+00 27 -1.46509490e+01 -1.17837932e+01 3.19038300e+01 28 -1.97515862e+01 1.37230300e+01 1.57184450e+01 29 5.82825555e-01 -3.20699555e+01 1.23258003e+01 30 2.47065932e+01 2.09076680e+01 5.67778922e+00 31 2.17588383e+01 -6.73974645e+00 1.60833007e+01 32 1.31474447e+01 2.76470986e+01 4.02462782e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==4188145== Memcheck, a memory error detector ==4188145== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==4188145== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==4188145== Command: python runner2.py MEAM_LAMMPS_LeeBaskesKim_2001_Mo__MO_805823015127_001 ==4188145== ==4188145== Mismatched free() / delete / delete [] ==4188145== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==4188145== by 0x14BE8C41C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14B5C5F1E: 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) ==4188145== by 0x14B5C6E18: 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) ==4188145== by 0x14B5CB762: 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) ==4188145== by 0x14B57B246: 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) ==4188145== by 0x14B4DB647: 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) ==4188145== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==4188145== Address 0x14b075240 is 0 bytes inside a block of size 1,024 alloc'd ==4188145== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==4188145== by 0x14BE8BBA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14B5C5F1E: 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) ==4188145== by 0x14B5C6E18: 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) ==4188145== by 0x14B5CB762: 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) ==4188145== by 0x14B57B246: 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) ==4188145== by 0x14B4DB647: 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) ==4188145== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==4188145== ==4188145== Mismatched free() / delete / delete [] ==4188145== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==4188145== by 0x14BE86DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14B5C5F1E: 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) ==4188145== by 0x14B5C6E18: 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) ==4188145== by 0x14B5CB762: 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) ==4188145== by 0x14B57B246: 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) ==4188145== by 0x14B4DB647: 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) ==4188145== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==4188145== Address 0x14b076330 is 0 bytes inside a block of size 1,024 alloc'd ==4188145== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==4188145== by 0x14BE86BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-4e84d38d-562e-4d60-a36d-afde37efbf09-007-4e53a238-bab9-47b0-a41c-cb6a9666de61/VC_561022993723_004-and-MO_805823015127_001-1683690281/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4188145== by 0x14B5C5F1E: 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) ==4188145== by 0x14B5C6E18: 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) ==4188145== by 0x14B5CB762: 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) ==4188145== by 0x14B57B246: 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) ==4188145== by 0x14B4DB647: 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) ==4188145== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==4188145== ==4188145== Conditional jump or move depends on uninitialised value(s) ==4188145== at 0x699E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==4188145== by 0x6A9AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==4188145== by 0x6AA3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==4188145== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==4188145== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==4188145== by 0x69B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==4188145== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==4188145== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==4188145== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==4188145== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==4188145== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==4188145== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==4188145== ==4188145== ==4188145== HEAP SUMMARY: ==4188145== in use at exit: 2,273,255 bytes in 1,703 blocks ==4188145== total heap usage: 60,742 allocs, 59,039 frees, 87,623,350 bytes allocated ==4188145== ==4188145== LEAK SUMMARY: ==4188145== definitely lost: 0 bytes in 0 blocks ==4188145== indirectly lost: 0 bytes in 0 blocks ==4188145== possibly lost: 188,754 bytes in 107 blocks ==4188145== still reachable: 2,084,469 bytes in 1,595 blocks ==4188145== of which reachable via heuristic: ==4188145== stdstring : 38 bytes in 1 blocks ==4188145== suppressed: 32 bytes in 1 blocks ==4188145== Rerun with --leak-check=full to see details of leaked memory ==4188145== ==4188145== Use --track-origins=yes to see where uninitialised values come from ==4188145== For lists of detected and suppressed errors, rerun with: -s ==4188145== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 17862 from 605) ================================================================================ 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.