!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Al__MO_353977746962_001 Supported species : Al random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 81.72794706663856 Forces: 1 -4.14383669e+00 -9.14143553e+00 -9.45256631e+00 2 -4.45266033e+00 6.28396471e+00 -9.56192443e+00 3 4.38365976e+00 -1.65623398e+01 -7.07411891e+00 4 -1.04069671e+01 6.74890890e+00 3.14907808e+00 5 -1.75363377e+00 -1.53625023e+01 -3.97830413e+00 6 1.03081228e+01 5.44449438e+00 -1.06311085e+01 7 5.74578317e+00 -2.49827762e+01 -1.74281722e+01 8 -9.58145091e+00 -8.82057401e+00 -2.35460514e+00 9 -9.50698531e+00 -7.47403521e+00 -1.52537785e+01 10 -8.15833071e+00 2.22153309e+01 -2.78277056e+01 11 -6.00347636e+00 -1.83447699e+01 2.37122971e+00 12 -1.21482154e+01 1.60139301e+01 2.28443942e+00 13 -2.23420743e+00 -7.32804009e+00 -3.22320625e+01 14 7.71531853e+00 1.04174291e+01 -7.25562332e+00 15 2.95497638e+01 -6.47554888e+00 5.09154636e+00 16 1.32094637e+01 2.12288598e+01 1.27994173e+01 17 -1.50968476e+01 -8.69393633e+00 -3.78681621e+00 18 4.42846750e+00 9.48669170e+00 8.22373635e+00 19 6.80882377e+00 -9.16841547e+00 9.07237127e+00 20 -6.64260659e+00 8.15849068e+00 8.46207672e+00 21 -1.24293364e+01 -1.49762946e+01 4.34625260e+00 22 2.33064760e+01 2.15841621e+01 1.72635940e+01 23 1.21812673e+01 -7.39593566e+00 7.20676570e+00 24 -7.97780232e+00 8.13168343e+00 8.49534449e+00 25 -1.14267259e+01 -6.52042380e+00 5.71012506e+00 26 -6.55273355e+00 1.84225823e+01 -3.84545180e+00 27 9.42523342e+00 -2.96087603e+01 1.11535080e+01 28 -2.49373130e+01 2.16865494e+01 8.44888691e+00 29 -5.01348726e+00 -8.00737077e+00 5.68585711e+00 30 9.28678077e+00 1.45595262e+01 3.86335822e+00 31 1.44980669e+01 -7.39796884e+00 1.05637652e+01 32 7.61938910e+00 1.58785240e+01 1.64908851e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 81.72794706663856 Forces: 1 -4.14383669e+00 -9.14143553e+00 -9.45256631e+00 2 -4.45266033e+00 6.28396471e+00 -9.56192443e+00 3 4.38365976e+00 -1.65623398e+01 -7.07411891e+00 4 -1.04069671e+01 6.74890890e+00 3.14907808e+00 5 -1.75363377e+00 -1.53625023e+01 -3.97830413e+00 6 1.03081228e+01 5.44449438e+00 -1.06311085e+01 7 5.74578317e+00 -2.49827762e+01 -1.74281722e+01 8 -9.58145091e+00 -8.82057401e+00 -2.35460514e+00 9 -9.50698531e+00 -7.47403521e+00 -1.52537785e+01 10 -8.15833071e+00 2.22153309e+01 -2.78277056e+01 11 -6.00347636e+00 -1.83447699e+01 2.37122971e+00 12 -1.21482154e+01 1.60139301e+01 2.28443942e+00 13 -2.23420743e+00 -7.32804009e+00 -3.22320625e+01 14 7.71531853e+00 1.04174291e+01 -7.25562332e+00 15 2.95497638e+01 -6.47554888e+00 5.09154636e+00 16 1.32094637e+01 2.12288598e+01 1.27994173e+01 17 -1.50968476e+01 -8.69393633e+00 -3.78681621e+00 18 4.42846750e+00 9.48669170e+00 8.22373635e+00 19 6.80882377e+00 -9.16841547e+00 9.07237127e+00 20 -6.64260659e+00 8.15849068e+00 8.46207672e+00 21 -1.24293364e+01 -1.49762946e+01 4.34625260e+00 22 2.33064760e+01 2.15841621e+01 1.72635940e+01 23 1.21812673e+01 -7.39593566e+00 7.20676570e+00 24 -7.97780232e+00 8.13168343e+00 8.49534449e+00 25 -1.14267259e+01 -6.52042380e+00 5.71012506e+00 26 -6.55273355e+00 1.84225823e+01 -3.84545180e+00 27 9.42523342e+00 -2.96087603e+01 1.11535080e+01 28 -2.49373130e+01 2.16865494e+01 8.44888691e+00 29 -5.01348726e+00 -8.00737077e+00 5.68585711e+00 30 9.28678077e+00 1.45595262e+01 3.86335822e+00 31 1.44980669e+01 -7.39796884e+00 1.05637652e+01 32 7.61938910e+00 1.58785240e+01 1.64908851e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2737143== Memcheck, a memory error detector ==2737143== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2737143== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==2737143== Command: python runner2.py MEAM_LAMMPS_LeeShimBaskes_2003_Al__MO_353977746962_001 ==2737143== ==2737143== Mismatched free() / delete / delete [] ==2737143== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2737143== by 0x14BE8C41C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== 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) ==2737143== 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) ==2737143== 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) ==2737143== 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) ==2737143== 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) ==2737143== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2737143== Address 0x4e26450 is 0 bytes inside a block of size 1,024 alloc'd ==2737143== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2737143== by 0x14BE8BBA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== 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) ==2737143== 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) ==2737143== 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) ==2737143== 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) ==2737143== 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) ==2737143== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2737143== ==2737143== Mismatched free() / delete / delete [] ==2737143== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2737143== by 0x14BE86DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== 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) ==2737143== 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) ==2737143== 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) ==2737143== 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) ==2737143== 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) ==2737143== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2737143== Address 0x14b075e20 is 0 bytes inside a block of size 1,024 alloc'd ==2737143== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2737143== by 0x14BE86BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_353977746962_001-1683691437/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737143== 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) ==2737143== 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) ==2737143== 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) ==2737143== 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) ==2737143== 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) ==2737143== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2737143== ==2737143== Conditional jump or move depends on uninitialised value(s) ==2737143== at 0x699E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2737143== by 0x6A9AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2737143== by 0x6AA3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2737143== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==2737143== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==2737143== by 0x69B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2737143== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==2737143== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==2737143== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==2737143== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==2737143== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==2737143== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==2737143== ==2737143== ==2737143== HEAP SUMMARY: ==2737143== in use at exit: 2,273,255 bytes in 1,703 blocks ==2737143== total heap usage: 60,742 allocs, 59,039 frees, 87,627,093 bytes allocated ==2737143== ==2737143== LEAK SUMMARY: ==2737143== definitely lost: 0 bytes in 0 blocks ==2737143== indirectly lost: 0 bytes in 0 blocks ==2737143== possibly lost: 188,754 bytes in 107 blocks ==2737143== still reachable: 2,084,469 bytes in 1,595 blocks ==2737143== of which reachable via heuristic: ==2737143== stdstring : 38 bytes in 1 blocks ==2737143== suppressed: 32 bytes in 1 blocks ==2737143== Rerun with --leak-check=full to see details of leaked memory ==2737143== ==2737143== Use --track-origins=yes to see where uninitialised values come from ==2737143== For lists of detected and suppressed errors, rerun with: -s ==2737143== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 17868 from 606) ================================================================================ 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.