!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_FernandezPascuet_2014_U__MO_399431830125_002 Supported species : U random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = U (Configuration in file "config-F-U.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1139.7052327656413 Forces: 1 -1.81352673e+01 -6.98647288e+01 -7.65542430e+01 2 -6.93645540e+01 1.02655984e+02 -3.18841083e+01 3 4.29033995e+01 -6.19008356e+01 -3.40588843e+01 4 -5.75380583e+01 5.14112489e+01 3.68224820e+01 5 5.66469868e+01 -1.37178593e+02 -2.64629522e+01 6 5.07488347e+01 1.16125936e+01 -5.18471044e+01 7 4.95067930e+00 -2.21313231e+02 -2.52128416e+02 8 -1.37877275e+02 -7.69458216e+01 4.35880867e+01 9 -3.34972812e+01 -6.34887377e+01 -8.29522134e+01 10 -1.21706800e+02 1.22705961e+02 -2.42939161e+02 11 3.29367184e+02 -1.59238031e+02 -3.19778618e+02 12 -8.86406102e+01 1.08405732e+02 2.51181809e+01 13 -1.34631254e+02 -6.45148131e+00 -3.02598014e+02 14 4.99330104e+01 5.26778897e+01 -6.03709935e+01 15 2.61570287e+02 -7.23674161e+01 1.38190864e+02 16 1.08091301e+02 6.12683503e+01 1.83979807e+02 17 -1.15792537e+02 -6.36181323e+01 -4.60218608e+01 18 6.88016564e+01 9.01905232e+01 -3.46265365e+01 19 3.84630511e+01 -9.79202436e+01 9.01716748e+01 20 -5.46152088e+01 6.52147280e+01 7.18239494e+01 21 -1.27997339e+02 -1.13776015e+02 5.13410967e+01 22 2.01482388e+02 2.31757295e+02 1.85372977e+02 23 6.26442264e+01 -3.11037500e+01 5.29960118e+01 24 -7.06824817e+00 5.51287300e+01 4.98988844e+01 25 -3.48397635e+02 3.22528682e+01 3.18881688e+02 26 -1.12539892e+01 1.21729040e+02 -4.52899537e+01 27 1.56442741e+02 -2.92708681e+02 6.40348185e+01 28 -2.85577299e+02 2.51211865e+02 9.72199368e+01 29 -9.75700515e+01 -1.06810359e+02 -1.45346147e+02 30 5.93362234e+01 1.27365752e+02 8.54160171e+01 31 1.86984920e+02 -3.92014205e+01 1.28066056e+02 32 3.12965172e+01 1.28298917e+02 1.29936676e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = U (Configuration in file "config-T-U.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1139.7052327656413 Forces: 1 -1.81352673e+01 -6.98647288e+01 -7.65542430e+01 2 -6.93645540e+01 1.02655984e+02 -3.18841083e+01 3 4.29033995e+01 -6.19008356e+01 -3.40588843e+01 4 -5.75380583e+01 5.14112489e+01 3.68224820e+01 5 5.66469868e+01 -1.37178593e+02 -2.64629522e+01 6 5.07488347e+01 1.16125936e+01 -5.18471044e+01 7 4.95067930e+00 -2.21313231e+02 -2.52128416e+02 8 -1.37877275e+02 -7.69458216e+01 4.35880867e+01 9 -3.34972812e+01 -6.34887377e+01 -8.29522134e+01 10 -1.21706800e+02 1.22705961e+02 -2.42939161e+02 11 3.29367184e+02 -1.59238031e+02 -3.19778618e+02 12 -8.86406102e+01 1.08405732e+02 2.51181809e+01 13 -1.34631254e+02 -6.45148131e+00 -3.02598014e+02 14 4.99330104e+01 5.26778897e+01 -6.03709935e+01 15 2.61570287e+02 -7.23674161e+01 1.38190864e+02 16 1.08091301e+02 6.12683503e+01 1.83979807e+02 17 -1.15792537e+02 -6.36181323e+01 -4.60218608e+01 18 6.88016564e+01 9.01905232e+01 -3.46265365e+01 19 3.84630511e+01 -9.79202436e+01 9.01716748e+01 20 -5.46152088e+01 6.52147280e+01 7.18239494e+01 21 -1.27997339e+02 -1.13776015e+02 5.13410967e+01 22 2.01482388e+02 2.31757295e+02 1.85372977e+02 23 6.26442264e+01 -3.11037500e+01 5.29960118e+01 24 -7.06824817e+00 5.51287300e+01 4.98988844e+01 25 -3.48397635e+02 3.22528682e+01 3.18881688e+02 26 -1.12539892e+01 1.21729040e+02 -4.52899537e+01 27 1.56442741e+02 -2.92708681e+02 6.40348185e+01 28 -2.85577299e+02 2.51211865e+02 9.72199368e+01 29 -9.75700515e+01 -1.06810359e+02 -1.45346147e+02 30 5.93362234e+01 1.27365752e+02 8.54160171e+01 31 1.86984920e+02 -3.92014205e+01 1.28066056e+02 32 3.12965172e+01 1.28298917e+02 1.29936676e+02 ================================================================================ VALGRIND OUTPUT ================================================================================ ==184850== Memcheck, a memory error detector ==184850== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==184850== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==184850== Command: python runner2.py MEAM_LAMMPS_FernandezPascuet_2014_U__MO_399431830125_002 ==184850== ==184850== Mismatched free() / delete / delete [] ==184850== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==184850== by 0x11C68D41C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== by 0x11C5604EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== by 0x11C561C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== by 0x11C54ADB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== by 0x11C54E59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== 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) ==184850== 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) ==184850== 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) ==184850== 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) ==184850== 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) ==184850== by 0x11BCF214B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==184850== Address 0x4c8d8d0 is 0 bytes inside a block of size 1,024 alloc'd ==184850== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==184850== by 0x11C68CBA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== by 0x11C5604EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== by 0x11C561C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== by 0x11C54ADB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== by 0x11C54E59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== 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) ==184850== 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) ==184850== 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) ==184850== 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) ==184850== 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) ==184850== by 0x11BCF214B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==184850== ==184850== Mismatched free() / delete / delete [] ==184850== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==184850== by 0x11C687DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== by 0x11C56051A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== by 0x11C561C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== by 0x11C54ADB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== by 0x11C54E59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== 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) ==184850== 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) ==184850== 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) ==184850== 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) ==184850== 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) ==184850== by 0x11BCF214B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==184850== Address 0x912f8ab0 is 0 bytes inside a block of size 1,024 alloc'd ==184850== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==184850== by 0x11C687BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== by 0x11C56051A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== by 0x11C561C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== by 0x11C54ADB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== by 0x11C54E59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-b93eaf0b-ca27-4b7a-9e96-cb5775901424-007-c71e770d-20b9-4070-a6b8-67c5195cb494/VC_561022993723_004-and-MO_399431830125_002-1683658604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==184850== 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) ==184850== 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) ==184850== 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) ==184850== 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) ==184850== 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) ==184850== by 0x11BCF214B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==184850== ==184850== Conditional jump or move depends on uninitialised value(s) ==184850== at 0x659E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==184850== by 0x669AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==184850== by 0x66A3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==184850== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==184850== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==184850== by 0x65B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==184850== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==184850== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==184850== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==184850== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==184850== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==184850== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==184850== ==184850== ==184850== HEAP SUMMARY: ==184850== in use at exit: 2,273,255 bytes in 1,703 blocks ==184850== total heap usage: 60,743 allocs, 59,040 frees, 139,696,996 bytes allocated ==184850== ==184850== LEAK SUMMARY: ==184850== definitely lost: 0 bytes in 0 blocks ==184850== indirectly lost: 0 bytes in 0 blocks ==184850== possibly lost: 188,754 bytes in 107 blocks ==184850== still reachable: 2,084,469 bytes in 1,595 blocks ==184850== of which reachable via heuristic: ==184850== stdstring : 38 bytes in 1 blocks ==184850== suppressed: 32 bytes in 1 blocks ==184850== Rerun with --leak-check=full to see details of leaked memory ==184850== ==184850== Use --track-origins=yes to see where uninitialised values come from ==184850== For lists of detected and suppressed errors, rerun with: -s ==184850== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 16884 from 585) ================================================================================ 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.