!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Ta__MO_644143102837_001 Supported species : Ta random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ta (Configuration in file "config-F-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = 119.6734956918008 Forces: 1 -7.92785736e+00 -1.74819847e+01 -2.18300514e+01 2 -8.75071566e+00 5.60123824e+00 -2.30329277e+01 3 5.46160778e+00 -2.15353339e+01 -1.17520800e+00 4 -1.98479338e+01 1.68932614e+01 7.59876517e+00 5 2.02557590e+00 -2.54216071e+01 -1.26729686e+01 6 1.47354300e+01 1.53677426e+00 -1.78864846e+01 7 1.38026390e+01 -3.12146643e+01 -1.57650560e+01 8 -1.23211023e+01 -2.15253241e+01 -3.26170947e+00 9 -1.26321267e+01 -1.35693143e+01 -2.36092517e+01 10 -7.53220338e+00 3.09066390e+01 -3.52388625e+01 11 -1.93952313e+01 -2.69728736e+01 -1.07214828e+01 12 -2.31257274e+01 2.10403665e+01 7.97764132e+00 13 8.94181719e+00 -9.96704750e-01 -4.77829135e+01 14 1.13281906e+01 1.13641406e+01 -1.06067965e+01 15 4.55485946e+01 3.20427246e-01 -4.05300504e-01 16 1.14647712e+01 4.36193081e+01 2.06436708e+00 17 -3.03648850e+01 -1.79765502e+01 -9.94628001e+00 18 1.02296056e+01 6.41070724e+00 -5.13029237e+00 19 1.45703194e+01 -2.79281481e+01 2.44121049e+01 20 -2.07648659e+01 1.36713482e+01 2.11296651e+01 21 -1.32364403e+01 -2.20034994e+01 1.18728185e+01 22 3.44112297e+01 1.64512890e+01 2.01876911e+01 23 6.98419892e+00 -4.16242140e+00 1.19003416e+01 24 3.91363054e+00 -1.26227516e+01 1.93427375e+01 25 -3.80631296e+01 -3.18535246e+00 2.32125703e+00 26 -9.34910397e+00 4.63433080e+01 3.20306766e+00 27 -6.53311245e+00 -2.04489172e+01 3.18522693e+01 28 -2.71762112e+01 2.02800184e+01 1.39041449e+01 29 1.39857933e+01 -1.42977771e+01 1.24495368e+01 30 1.81310840e+01 2.20235811e+01 7.19496539e+00 31 2.56257411e+01 -3.59901120e+00 1.51090177e+01 32 1.58604177e+01 2.84798281e+01 2.65451944e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ta (Configuration in file "config-T-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = 119.6734956918008 Forces: 1 -7.92785736e+00 -1.74819847e+01 -2.18300514e+01 2 -8.75071566e+00 5.60123824e+00 -2.30329277e+01 3 5.46160778e+00 -2.15353339e+01 -1.17520800e+00 4 -1.98479338e+01 1.68932614e+01 7.59876517e+00 5 2.02557590e+00 -2.54216071e+01 -1.26729686e+01 6 1.47354300e+01 1.53677426e+00 -1.78864846e+01 7 1.38026390e+01 -3.12146643e+01 -1.57650560e+01 8 -1.23211023e+01 -2.15253241e+01 -3.26170947e+00 9 -1.26321267e+01 -1.35693143e+01 -2.36092517e+01 10 -7.53220338e+00 3.09066390e+01 -3.52388625e+01 11 -1.93952313e+01 -2.69728736e+01 -1.07214828e+01 12 -2.31257274e+01 2.10403665e+01 7.97764132e+00 13 8.94181719e+00 -9.96704750e-01 -4.77829135e+01 14 1.13281906e+01 1.13641406e+01 -1.06067965e+01 15 4.55485946e+01 3.20427246e-01 -4.05300504e-01 16 1.14647712e+01 4.36193081e+01 2.06436708e+00 17 -3.03648850e+01 -1.79765502e+01 -9.94628001e+00 18 1.02296056e+01 6.41070724e+00 -5.13029237e+00 19 1.45703194e+01 -2.79281481e+01 2.44121049e+01 20 -2.07648659e+01 1.36713482e+01 2.11296651e+01 21 -1.32364403e+01 -2.20034994e+01 1.18728185e+01 22 3.44112297e+01 1.64512890e+01 2.01876911e+01 23 6.98419892e+00 -4.16242140e+00 1.19003416e+01 24 3.91363054e+00 -1.26227516e+01 1.93427375e+01 25 -3.80631296e+01 -3.18535246e+00 2.32125703e+00 26 -9.34910397e+00 4.63433080e+01 3.20306766e+00 27 -6.53311245e+00 -2.04489172e+01 3.18522693e+01 28 -2.71762112e+01 2.02800184e+01 1.39041449e+01 29 1.39857933e+01 -1.42977771e+01 1.24495368e+01 30 1.81310840e+01 2.20235811e+01 7.19496539e+00 31 2.56257411e+01 -3.59901120e+00 1.51090177e+01 32 1.58604177e+01 2.84798281e+01 2.65451944e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==45978== Memcheck, a memory error detector ==45978== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==45978== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==45978== Command: python runner2.py MEAM_LAMMPS_LeeBaskesKim_2001_Ta__MO_644143102837_001 ==45978== ==45978== Mismatched free() / delete / delete [] ==45978== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==45978== by 0x11C68A41C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11C55D4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11C55EC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11C547DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11C54B59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11BDC3F1E: 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) ==45978== by 0x11BDC4E18: 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) ==45978== by 0x11BDC9762: 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) ==45978== by 0x11BD79246: 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) ==45978== by 0x11BCD9647: 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) ==45978== by 0x11BCEF14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==45978== Address 0x4c9c790 is 0 bytes inside a block of size 1,024 alloc'd ==45978== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==45978== by 0x11C689BA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11C55D4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11C55EC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11C547DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11C54B59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11BDC3F1E: 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) ==45978== by 0x11BDC4E18: 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) ==45978== by 0x11BDC9762: 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) ==45978== by 0x11BD79246: 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) ==45978== by 0x11BCD9647: 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) ==45978== by 0x11BCEF14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==45978== ==45978== Mismatched free() / delete / delete [] ==45978== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==45978== by 0x11C684DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11C55D51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11C55EC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11C547DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11C54B59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11BDC3F1E: 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) ==45978== by 0x11BDC4E18: 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) ==45978== by 0x11BDC9762: 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) ==45978== by 0x11BD79246: 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) ==45978== by 0x11BCD9647: 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) ==45978== by 0x11BCEF14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==45978== Address 0x4c9d920 is 0 bytes inside a block of size 1,024 alloc'd ==45978== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==45978== by 0x11C684BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11C55D51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11C55EC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11C547DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11C54B59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-2b62bb62-1d85-4735-86ba-98dc59686b43-007-3e4d5387-c1d9-42de-a2c2-dd3f93eaa502/VC_561022993723_004-and-MO_644143102837_001-1683690604/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==45978== by 0x11BDC3F1E: 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) ==45978== by 0x11BDC4E18: 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) ==45978== by 0x11BDC9762: 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) ==45978== by 0x11BD79246: 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) ==45978== by 0x11BCD9647: 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) ==45978== by 0x11BCEF14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==45978== ==45978== Conditional jump or move depends on uninitialised value(s) ==45978== at 0x659E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==45978== by 0x669AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==45978== by 0x66A3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==45978== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==45978== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==45978== by 0x65B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==45978== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==45978== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==45978== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==45978== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==45978== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==45978== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==45978== ==45978== ==45978== HEAP SUMMARY: ==45978== in use at exit: 2,273,255 bytes in 1,703 blocks ==45978== total heap usage: 60,744 allocs, 59,041 frees, 173,250,317 bytes allocated ==45978== ==45978== LEAK SUMMARY: ==45978== definitely lost: 0 bytes in 0 blocks ==45978== indirectly lost: 0 bytes in 0 blocks ==45978== possibly lost: 188,754 bytes in 107 blocks ==45978== still reachable: 2,084,469 bytes in 1,595 blocks ==45978== of which reachable via heuristic: ==45978== stdstring : 38 bytes in 1 blocks ==45978== suppressed: 32 bytes in 1 blocks ==45978== Rerun with --leak-check=full to see details of leaked memory ==45978== ==45978== Use --track-origins=yes to see where uninitialised values come from ==45978== For lists of detected and suppressed errors, rerun with: -s ==45978== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 16815 from 569) ================================================================================ 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.