!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LeeShimBaskes_2003_Pd__MO_307252285625_001 Supported species : Pd random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pd (Configuration in file "config-F-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 280.2880145393006 Forces: 1 -4.95394163e+00 -2.31106440e+01 -2.23681395e+01 2 -2.52507163e+01 1.73274780e+01 -2.36137658e+01 3 1.30271785e+01 -4.32172862e+01 -1.90192802e+01 4 -2.91269619e+01 1.88352744e+01 1.12549853e+01 5 2.07522351e+00 -4.64610735e+01 -9.17953880e+00 6 2.09003591e+01 1.68538386e+01 -2.32246732e+01 7 7.34162931e+00 -8.30581860e+01 -6.71704028e+01 8 -1.53955798e+01 -4.21024203e+01 2.29598926e+00 9 -3.30775565e+01 -1.87408237e+01 -4.16881950e+01 10 -8.59092928e+00 8.61909883e+01 -5.38648084e+01 11 -4.50166040e+01 -6.44576511e+01 4.84823981e+01 12 -4.12649126e+01 5.70806334e+01 -3.41917948e+00 13 5.55691231e+01 -1.82531426e+01 -7.70282727e+01 14 1.26272373e+01 1.85509292e+01 -1.07970686e+01 15 8.08482067e+01 -7.66555994e+00 -9.57762873e+00 16 2.13754424e+01 8.12567381e+01 -2.51586860e+01 17 -3.96758127e+01 -2.10626174e+01 -1.20944706e+01 18 9.35135330e+00 3.05205952e+01 1.46280456e+01 19 1.82532674e+01 -2.59569365e+01 2.23285748e+01 20 -1.49118111e+01 2.12286084e+01 1.98499231e+01 21 -3.80114206e+01 -2.87736093e+01 1.81157884e+01 22 6.14135044e+01 7.93673240e+01 6.20755730e+01 23 1.10690240e+01 -4.94464983e+00 1.73800613e+01 24 8.22750941e+00 5.30196003e-01 1.36581094e+01 25 -1.61327811e+01 -2.56995774e+01 2.74568885e+01 26 -6.84716837e+01 6.26258865e+01 -3.66319721e+00 27 4.96661522e+01 -1.12039370e+02 2.49008150e+01 28 -8.87678060e+01 8.60150344e+01 9.37778600e+00 29 -6.77240099e+00 -7.75161727e+01 1.64739269e+01 30 3.97870187e+01 3.95600472e+01 1.01080017e+01 31 3.37195987e+01 -2.29605473e+01 2.83240276e+01 32 3.01690903e+01 5.00766959e+01 5.51564132e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pd (Configuration in file "config-T-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 280.2880145393006 Forces: 1 -4.95394163e+00 -2.31106440e+01 -2.23681395e+01 2 -2.52507163e+01 1.73274780e+01 -2.36137658e+01 3 1.30271785e+01 -4.32172862e+01 -1.90192802e+01 4 -2.91269619e+01 1.88352744e+01 1.12549853e+01 5 2.07522351e+00 -4.64610735e+01 -9.17953880e+00 6 2.09003591e+01 1.68538386e+01 -2.32246732e+01 7 7.34162931e+00 -8.30581860e+01 -6.71704028e+01 8 -1.53955798e+01 -4.21024203e+01 2.29598926e+00 9 -3.30775565e+01 -1.87408237e+01 -4.16881950e+01 10 -8.59092928e+00 8.61909883e+01 -5.38648084e+01 11 -4.50166040e+01 -6.44576511e+01 4.84823981e+01 12 -4.12649126e+01 5.70806334e+01 -3.41917948e+00 13 5.55691231e+01 -1.82531426e+01 -7.70282727e+01 14 1.26272373e+01 1.85509292e+01 -1.07970686e+01 15 8.08482067e+01 -7.66555994e+00 -9.57762873e+00 16 2.13754424e+01 8.12567381e+01 -2.51586860e+01 17 -3.96758127e+01 -2.10626174e+01 -1.20944706e+01 18 9.35135330e+00 3.05205952e+01 1.46280456e+01 19 1.82532674e+01 -2.59569365e+01 2.23285748e+01 20 -1.49118111e+01 2.12286084e+01 1.98499231e+01 21 -3.80114206e+01 -2.87736093e+01 1.81157884e+01 22 6.14135044e+01 7.93673240e+01 6.20755730e+01 23 1.10690240e+01 -4.94464983e+00 1.73800613e+01 24 8.22750941e+00 5.30196003e-01 1.36581094e+01 25 -1.61327811e+01 -2.56995774e+01 2.74568885e+01 26 -6.84716837e+01 6.26258865e+01 -3.66319721e+00 27 4.96661522e+01 -1.12039370e+02 2.49008150e+01 28 -8.87678060e+01 8.60150344e+01 9.37778600e+00 29 -6.77240099e+00 -7.75161727e+01 1.64739269e+01 30 3.97870187e+01 3.95600472e+01 1.01080017e+01 31 3.37195987e+01 -2.29605473e+01 2.83240276e+01 32 3.01690903e+01 5.00766959e+01 5.51564132e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2754879== Memcheck, a memory error detector ==2754879== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2754879== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==2754879== Command: python runner2.py MEAM_LAMMPS_LeeShimBaskes_2003_Pd__MO_307252285625_001 ==2754879== ==2754879== Mismatched free() / delete / delete [] ==2754879== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2754879== by 0x14BE8C41C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== 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) ==2754879== 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) ==2754879== 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) ==2754879== 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) ==2754879== 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) ==2754879== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2754879== Address 0x4e26450 is 0 bytes inside a block of size 1,024 alloc'd ==2754879== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2754879== by 0x14BE8BBA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== 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) ==2754879== 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) ==2754879== 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) ==2754879== 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) ==2754879== 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) ==2754879== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2754879== ==2754879== Mismatched free() / delete / delete [] ==2754879== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2754879== by 0x14BE86DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== 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) ==2754879== 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) ==2754879== 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) ==2754879== 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) ==2754879== 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) ==2754879== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2754879== Address 0x14b075e30 is 0 bytes inside a block of size 1,024 alloc'd ==2754879== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2754879== by 0x14BE86BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-63d469c7-e019-4526-ac20-fa54ee47db6a-007-f889effb-cb9a-418b-9672-0b823db66015/VC_561022993723_004-and-MO_307252285625_001-1683692085/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2754879== 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) ==2754879== 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) ==2754879== 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) ==2754879== 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) ==2754879== 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) ==2754879== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2754879== ==2754879== Conditional jump or move depends on uninitialised value(s) ==2754879== at 0x699E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2754879== by 0x6A9AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2754879== by 0x6AA3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2754879== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==2754879== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==2754879== by 0x69B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2754879== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==2754879== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==2754879== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==2754879== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==2754879== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==2754879== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==2754879== ==2754879== ==2754879== HEAP SUMMARY: ==2754879== in use at exit: 2,273,255 bytes in 1,703 blocks ==2754879== total heap usage: 60,742 allocs, 59,039 frees, 87,626,974 bytes allocated ==2754879== ==2754879== LEAK SUMMARY: ==2754879== definitely lost: 0 bytes in 0 blocks ==2754879== indirectly lost: 0 bytes in 0 blocks ==2754879== possibly lost: 188,754 bytes in 107 blocks ==2754879== still reachable: 2,084,469 bytes in 1,595 blocks ==2754879== of which reachable via heuristic: ==2754879== stdstring : 38 bytes in 1 blocks ==2754879== suppressed: 32 bytes in 1 blocks ==2754879== Rerun with --leak-check=full to see details of leaked memory ==2754879== ==2754879== Use --track-origins=yes to see where uninitialised values come from ==2754879== For lists of detected and suppressed errors, rerun with: -s ==2754879== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 17875 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.