!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Pt__MO_534993486058_001 Supported species : Pt random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pt (Configuration in file "config-F-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 464.78481901472855 Forces: 1 -1.04757516e+01 -3.01427033e+01 -3.18666038e+01 2 -2.59499943e+01 2.62613149e+01 -3.43120288e+01 3 2.39023768e+01 -4.41213088e+01 -2.09018265e+01 4 -3.47058600e+01 3.36088883e+01 1.99623573e+01 5 1.63091892e+01 -7.07185818e+01 -1.82417519e+01 6 4.27436682e+01 -2.77176071e+00 -3.45314760e+01 7 2.36293807e+01 -1.30945516e+02 -1.03601019e+02 8 -8.81067321e+01 -8.59432322e+01 3.40152187e+01 9 -5.95002473e+01 -2.59474974e+01 -7.30536526e+01 10 -2.17240354e+01 8.16839987e+01 -1.13043328e+02 11 -2.59282099e+01 -6.80389458e+01 5.82018315e+01 12 -4.60281637e+01 4.41370841e+01 2.54385343e+01 13 -1.00697814e+02 -3.15692345e+00 -2.68487150e+02 14 3.41021104e+01 4.73643113e+01 -4.06567709e+01 15 2.43046395e+02 2.51348668e+01 1.74663715e+02 16 2.68201839e+01 8.89872120e+01 5.16655496e+01 17 -7.10173873e+01 -4.37888110e+01 -1.84231270e+01 18 2.41839498e+01 5.82852599e+01 -2.09934898e+01 19 3.30052335e+01 -5.82139303e+01 4.30226686e+01 20 -3.35786360e+01 2.59730003e+01 4.51268734e+01 21 -5.82183329e+01 -4.88349212e+01 3.40845709e+01 22 7.54299248e+01 9.76398692e+01 7.00994170e+01 23 1.89323359e+01 -9.67014400e+00 2.49781801e+01 24 1.14654866e+01 1.08984255e+01 2.68911010e+01 25 -6.06580730e+01 -4.41672165e+01 -5.18036583e+01 26 -2.79365245e+01 9.04240536e+01 -4.90130821e+01 27 7.91428726e+01 -1.52257541e+02 7.03406879e+01 28 -1.27465686e+02 1.31430890e+02 3.76365968e+01 29 -3.51042967e+01 -5.47703060e+01 9.32094593e+00 30 5.87738468e+01 7.48169601e+01 2.97150417e+01 31 6.61526946e+01 -3.11756329e+01 4.73081370e+01 32 4.94560955e+01 6.80188369e+01 7.64575382e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pt (Configuration in file "config-T-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 464.78481901472855 Forces: 1 -1.04757516e+01 -3.01427033e+01 -3.18666038e+01 2 -2.59499943e+01 2.62613149e+01 -3.43120288e+01 3 2.39023768e+01 -4.41213088e+01 -2.09018265e+01 4 -3.47058600e+01 3.36088883e+01 1.99623573e+01 5 1.63091892e+01 -7.07185818e+01 -1.82417519e+01 6 4.27436682e+01 -2.77176071e+00 -3.45314760e+01 7 2.36293807e+01 -1.30945516e+02 -1.03601019e+02 8 -8.81067321e+01 -8.59432322e+01 3.40152187e+01 9 -5.95002473e+01 -2.59474974e+01 -7.30536526e+01 10 -2.17240354e+01 8.16839987e+01 -1.13043328e+02 11 -2.59282099e+01 -6.80389458e+01 5.82018315e+01 12 -4.60281637e+01 4.41370841e+01 2.54385343e+01 13 -1.00697814e+02 -3.15692345e+00 -2.68487150e+02 14 3.41021104e+01 4.73643113e+01 -4.06567709e+01 15 2.43046395e+02 2.51348668e+01 1.74663715e+02 16 2.68201839e+01 8.89872120e+01 5.16655496e+01 17 -7.10173873e+01 -4.37888110e+01 -1.84231270e+01 18 2.41839498e+01 5.82852599e+01 -2.09934898e+01 19 3.30052335e+01 -5.82139303e+01 4.30226686e+01 20 -3.35786360e+01 2.59730003e+01 4.51268734e+01 21 -5.82183329e+01 -4.88349212e+01 3.40845709e+01 22 7.54299248e+01 9.76398692e+01 7.00994170e+01 23 1.89323359e+01 -9.67014400e+00 2.49781801e+01 24 1.14654866e+01 1.08984255e+01 2.68911010e+01 25 -6.06580730e+01 -4.41672165e+01 -5.18036583e+01 26 -2.79365245e+01 9.04240536e+01 -4.90130821e+01 27 7.91428726e+01 -1.52257541e+02 7.03406879e+01 28 -1.27465686e+02 1.31430890e+02 3.76365968e+01 29 -3.51042967e+01 -5.47703060e+01 9.32094593e+00 30 5.87738468e+01 7.48169601e+01 2.97150417e+01 31 6.61526946e+01 -3.11756329e+01 4.73081370e+01 32 4.94560955e+01 6.80188369e+01 7.64575382e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==185724== Memcheck, a memory error detector ==185724== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==185724== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==185724== Command: python runner2.py MEAM_LAMMPS_LeeShimBaskes_2003_Pt__MO_534993486058_001 ==185724== ==185724== Mismatched free() / delete / delete [] ==185724== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==185724== by 0x11C68841C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11C55B4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11BDC1F1E: 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) ==185724== by 0x11BDC2E18: 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) ==185724== by 0x11BDC7762: 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) ==185724== by 0x11BD77246: 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) ==185724== by 0x11BCD7647: 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) ==185724== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==185724== Address 0x91173b10 is 0 bytes inside a block of size 1,024 alloc'd ==185724== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==185724== by 0x11C687BA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11C55B4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11BDC1F1E: 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) ==185724== by 0x11BDC2E18: 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) ==185724== by 0x11BDC7762: 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) ==185724== by 0x11BD77246: 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) ==185724== by 0x11BCD7647: 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) ==185724== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==185724== ==185724== Mismatched free() / delete / delete [] ==185724== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==185724== by 0x11C682DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11C55B51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11BDC1F1E: 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) ==185724== by 0x11BDC2E18: 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) ==185724== by 0x11BDC7762: 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) ==185724== by 0x11BD77246: 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) ==185724== by 0x11BCD7647: 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) ==185724== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==185724== Address 0x91174ca0 is 0 bytes inside a block of size 1,024 alloc'd ==185724== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==185724== by 0x11C682BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11C55B51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_534993486058_001-1683692246/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185724== by 0x11BDC1F1E: 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) ==185724== by 0x11BDC2E18: 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) ==185724== by 0x11BDC7762: 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) ==185724== by 0x11BD77246: 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) ==185724== by 0x11BCD7647: 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) ==185724== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==185724== ==185724== Conditional jump or move depends on uninitialised value(s) ==185724== at 0x659E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==185724== by 0x669AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==185724== by 0x66A3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==185724== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==185724== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==185724== by 0x65B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==185724== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==185724== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==185724== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==185724== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==185724== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==185724== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==185724== ==185724== ==185724== HEAP SUMMARY: ==185724== in use at exit: 2,273,255 bytes in 1,703 blocks ==185724== total heap usage: 60,743 allocs, 59,040 frees, 139,693,583 bytes allocated ==185724== ==185724== LEAK SUMMARY: ==185724== definitely lost: 0 bytes in 0 blocks ==185724== indirectly lost: 0 bytes in 0 blocks ==185724== possibly lost: 188,754 bytes in 107 blocks ==185724== still reachable: 2,084,469 bytes in 1,595 blocks ==185724== of which reachable via heuristic: ==185724== stdstring : 38 bytes in 1 blocks ==185724== suppressed: 32 bytes in 1 blocks ==185724== Rerun with --leak-check=full to see details of leaked memory ==185724== ==185724== Use --track-origins=yes to see where uninitialised values come from ==185724== For lists of detected and suppressed errors, rerun with: -s ==185724== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 16849 from 566) ================================================================================ 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.