!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Ni__MO_000553624872_000 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -11.984560563682399 Forces: 1 -7.88691639e+00 -6.85849315e+00 -1.13805245e+01 2 -5.45817935e+00 1.06551059e+01 -5.34235581e+00 3 6.79571868e+00 -6.69670374e+00 6.82281847e+00 4 -7.01381163e+00 6.11843678e+00 5.95653147e+00 5 4.17690134e+00 -1.49536175e+01 -2.06399972e+00 6 6.86539984e+00 7.54656155e+00 -6.08232275e+00 7 2.37704087e+00 -3.08389800e+01 -2.72211223e+01 8 -1.47003023e+01 -1.12270986e+01 -4.75623055e+00 9 -1.00142805e+01 -6.36830638e+00 -1.51261148e+01 10 -6.66377375e+00 1.85366437e+01 -1.89794010e+01 11 -3.35426854e+00 -1.19206031e+01 1.60435640e+01 12 -6.00946854e+00 8.34892879e+00 7.28875155e+00 13 -6.21326083e+00 -1.32825191e+01 -3.78140348e+01 14 5.19091728e+00 8.00673335e+00 -4.83928556e+00 15 3.35866629e+01 -6.22935779e+00 1.25551733e+01 16 7.55277201e+00 2.38726724e+01 1.42386863e+01 17 -9.10383216e+00 -5.80508660e+00 -7.07112295e+00 18 3.18818608e+00 7.76943516e+00 -5.77993787e+00 19 2.53619577e+00 -1.36316978e+01 7.44920132e+00 20 -4.27900301e+00 7.18480694e+00 6.23372217e+00 21 -1.31084166e+01 -9.55447043e+00 7.22663842e+00 22 2.12306451e+01 2.91845176e+01 2.14670445e+01 23 2.19228400e+00 -1.32011708e+00 7.01818830e+00 24 6.27398062e+00 5.68041310e+00 5.31039460e+00 25 -1.02545689e+01 -1.18662612e+01 -1.68765738e+01 26 -4.61401913e+00 1.33331300e+01 -1.07591771e+01 27 1.94731890e+01 -3.13722887e+01 1.45090238e+01 28 -2.81244247e+01 2.93062973e+01 1.31279106e+01 29 -8.52856317e+00 -7.89408336e+00 5.83717351e+00 30 5.35801055e+00 1.05192378e+01 -1.32968084e-01 31 1.13575415e+01 -9.99771783e+00 1.00182745e+01 32 7.17164407e+00 1.37544821e+01 1.31220748e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -11.984560563682399 Forces: 1 -7.88691639e+00 -6.85849315e+00 -1.13805245e+01 2 -5.45817935e+00 1.06551059e+01 -5.34235581e+00 3 6.79571868e+00 -6.69670374e+00 6.82281847e+00 4 -7.01381163e+00 6.11843678e+00 5.95653147e+00 5 4.17690134e+00 -1.49536175e+01 -2.06399972e+00 6 6.86539984e+00 7.54656155e+00 -6.08232275e+00 7 2.37704087e+00 -3.08389800e+01 -2.72211223e+01 8 -1.47003023e+01 -1.12270986e+01 -4.75623055e+00 9 -1.00142805e+01 -6.36830638e+00 -1.51261148e+01 10 -6.66377375e+00 1.85366437e+01 -1.89794010e+01 11 -3.35426854e+00 -1.19206031e+01 1.60435640e+01 12 -6.00946854e+00 8.34892879e+00 7.28875155e+00 13 -6.21326083e+00 -1.32825191e+01 -3.78140348e+01 14 5.19091728e+00 8.00673335e+00 -4.83928556e+00 15 3.35866629e+01 -6.22935779e+00 1.25551733e+01 16 7.55277201e+00 2.38726724e+01 1.42386863e+01 17 -9.10383216e+00 -5.80508660e+00 -7.07112295e+00 18 3.18818608e+00 7.76943516e+00 -5.77993787e+00 19 2.53619577e+00 -1.36316978e+01 7.44920132e+00 20 -4.27900301e+00 7.18480694e+00 6.23372217e+00 21 -1.31084166e+01 -9.55447043e+00 7.22663842e+00 22 2.12306451e+01 2.91845176e+01 2.14670445e+01 23 2.19228400e+00 -1.32011708e+00 7.01818830e+00 24 6.27398062e+00 5.68041310e+00 5.31039460e+00 25 -1.02545689e+01 -1.18662612e+01 -1.68765738e+01 26 -4.61401913e+00 1.33331300e+01 -1.07591771e+01 27 1.94731890e+01 -3.13722887e+01 1.45090238e+01 28 -2.81244247e+01 2.93062973e+01 1.31279106e+01 29 -8.52856317e+00 -7.89408336e+00 5.83717351e+00 30 5.35801055e+00 1.05192378e+01 -1.32968084e-01 31 1.13575415e+01 -9.99771783e+00 1.00182745e+01 32 7.17164407e+00 1.37544821e+01 1.31220748e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==24891== Memcheck, a memory error detector ==24891== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==24891== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==24891== Command: python runner2.py MEAM_LAMMPS_LeeShimBaskes_2003_Ni__MO_000553624872_000 ==24891== ==25165== Warning: invalid file descriptor 4096 in syscall close() ==25165== Warning: invalid file descriptor 4097 in syscall close() ==25165== Warning: invalid file descriptor 4098 in syscall close() ==25165== Warning: invalid file descriptor 4099 in syscall close() ==25165== Use --log-fd= to select an alternative log fd. ==25165== Warning: invalid file descriptor 4100 in syscall close() ==25165== Warning: invalid file descriptor 4101 in syscall close() ==24891== Mismatched free() / delete / delete [] ==24891== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==24891== by 0x2A84639C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x2A71954D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x2A71AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x2A703DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x2A7075CE: ModelDriverCreateRoutine (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x29BBDF1E: 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) ==24891== by 0x29BBEE18: 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) ==24891== by 0x29BC3762: 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) ==24891== by 0x29B73246: 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) ==24891== by 0x29AD64C7: 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) ==24891== by 0x29AEA2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==24891== Address 0x2a2dbe50 is 0 bytes inside a block of size 1,024 alloc'd ==24891== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==24891== by 0x2A845B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x2A71954D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x2A71AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x2A703DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x2A7075CE: ModelDriverCreateRoutine (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x29BBDF1E: 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) ==24891== by 0x29BBEE18: 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) ==24891== by 0x29BC3762: 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) ==24891== by 0x29B73246: 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) ==24891== by 0x29AD64C7: 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) ==24891== by 0x29AEA2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==24891== ==24891== Mismatched free() / delete / delete [] ==24891== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==24891== by 0x2A840DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x2A719578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x2A71AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x2A703DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x2A7075CE: ModelDriverCreateRoutine (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x29BBDF1E: 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) ==24891== by 0x29BBEE18: 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) ==24891== by 0x29BC3762: 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) ==24891== by 0x29B73246: 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) ==24891== by 0x29AD64C7: 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) ==24891== by 0x29AEA2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==24891== Address 0x2a2dcf90 is 0 bytes inside a block of size 1,024 alloc'd ==24891== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==24891== by 0x2A840BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x2A719578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x2A71AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x2A703DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x2A7075CE: ModelDriverCreateRoutine (in /scratch.hyperion/kim-jobs/jobs/bwaters/job-f8926761-d26d-4e9f-a90c-d5c439247754-007-da2649cf-c42b-457d-8f27-82ea1dda8780/VC_561022993723_003-and-MO_000553624872_000-1658805482/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==24891== by 0x29BBDF1E: 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) ==24891== by 0x29BBEE18: 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) ==24891== by 0x29BC3762: 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) ==24891== by 0x29B73246: 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) ==24891== by 0x29AD64C7: 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) ==24891== by 0x29AEA2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==24891== ==24891== ==24891== HEAP SUMMARY: ==24891== in use at exit: 2,202,999 bytes in 1,640 blocks ==24891== total heap usage: 50,125 allocs, 48,485 frees, 72,191,248 bytes allocated ==24891== ==24891== LEAK SUMMARY: ==24891== definitely lost: 0 bytes in 0 blocks ==24891== indirectly lost: 0 bytes in 0 blocks ==24891== possibly lost: 198,622 bytes in 101 blocks ==24891== still reachable: 2,004,345 bytes in 1,538 blocks ==24891== suppressed: 32 bytes in 1 blocks ==24891== Rerun with --leak-check=full to see details of leaked memory ==24891== ==24891== For lists of detected and suppressed errors, rerun with: -s ==24891== ERROR SUMMARY: 8 errors from 2 contexts (suppressed: 8911 from 561) ================================================================================ 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.