!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimLeeBaskes_2006_Ti__MO_472654156677_001 Supported species : Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 112.64736659259933 Forces: 1 -6.46435369e+00 -9.49599088e+00 -1.01220788e+01 2 -6.72957287e+00 9.05894595e+00 -1.39834394e+01 3 9.63927591e-01 -1.44465310e+01 -1.92266684e+00 4 -1.27038186e+01 2.72759779e+00 -8.85095571e-01 5 9.48475297e+00 -1.76048288e+01 -6.65303054e+00 6 5.84069858e+00 1.49169199e+00 -8.59187331e+00 7 1.00664432e+01 -2.44770064e+01 -1.93546076e+01 8 -4.93696083e+00 -6.21477270e+00 -4.82440468e+00 9 -1.02627597e+01 -1.05493879e+01 -2.08816507e+01 10 -5.01196011e+00 2.49666560e+01 -2.06711259e+01 11 -9.17932692e+00 -1.23204976e+01 5.31542583e+00 12 -1.72545333e+01 1.80151496e+01 5.95001506e+00 13 1.15059841e+01 -1.44552514e+01 -3.31983092e+01 14 9.57596924e+00 1.17217296e+01 -1.27405418e+01 15 2.65113202e+01 -1.23627371e+01 -2.53372421e+00 16 1.24932517e+00 3.24390020e+01 9.81518842e+00 17 -1.81580310e+01 -1.32596046e+01 -3.19551926e+00 18 6.62742357e+00 7.43376148e+00 3.29451502e+00 19 5.32421983e+00 -1.29257110e+01 1.21684663e+01 20 -9.38006526e+00 6.97483144e+00 1.19133597e+01 21 -9.34094077e+00 -1.26251829e+01 8.09381523e+00 22 2.09024170e+01 1.51624963e+01 1.31861781e+01 23 6.45739971e+00 -3.34309534e+00 1.03248063e+01 24 1.48038675e+00 -1.46883388e+00 9.04021615e+00 25 -1.57043677e+01 2.38743198e+00 8.50411033e+00 26 -6.79944244e+00 2.04700561e+01 -5.01758052e+00 27 3.35606874e+00 -2.11115815e+01 1.34513314e+01 28 -2.13331942e+01 1.69202160e+01 6.76880404e+00 29 -4.14083639e+00 -8.78044884e+00 8.05123554e+00 30 1.42481296e+01 1.76518631e+01 6.42751656e+00 31 1.65665138e+01 -7.33787136e+00 1.42368764e+01 32 7.23918388e+00 1.53579038e+01 1.80337880e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 112.64736659259933 Forces: 1 -6.46435369e+00 -9.49599088e+00 -1.01220788e+01 2 -6.72957287e+00 9.05894595e+00 -1.39834394e+01 3 9.63927591e-01 -1.44465310e+01 -1.92266684e+00 4 -1.27038186e+01 2.72759779e+00 -8.85095571e-01 5 9.48475297e+00 -1.76048288e+01 -6.65303054e+00 6 5.84069858e+00 1.49169199e+00 -8.59187331e+00 7 1.00664432e+01 -2.44770064e+01 -1.93546076e+01 8 -4.93696083e+00 -6.21477270e+00 -4.82440468e+00 9 -1.02627597e+01 -1.05493879e+01 -2.08816507e+01 10 -5.01196011e+00 2.49666560e+01 -2.06711259e+01 11 -9.17932692e+00 -1.23204976e+01 5.31542583e+00 12 -1.72545333e+01 1.80151496e+01 5.95001506e+00 13 1.15059841e+01 -1.44552514e+01 -3.31983092e+01 14 9.57596924e+00 1.17217296e+01 -1.27405418e+01 15 2.65113202e+01 -1.23627371e+01 -2.53372421e+00 16 1.24932517e+00 3.24390020e+01 9.81518842e+00 17 -1.81580310e+01 -1.32596046e+01 -3.19551926e+00 18 6.62742357e+00 7.43376148e+00 3.29451502e+00 19 5.32421983e+00 -1.29257110e+01 1.21684663e+01 20 -9.38006526e+00 6.97483144e+00 1.19133597e+01 21 -9.34094077e+00 -1.26251829e+01 8.09381523e+00 22 2.09024170e+01 1.51624963e+01 1.31861781e+01 23 6.45739971e+00 -3.34309534e+00 1.03248063e+01 24 1.48038675e+00 -1.46883388e+00 9.04021615e+00 25 -1.57043677e+01 2.38743198e+00 8.50411033e+00 26 -6.79944244e+00 2.04700561e+01 -5.01758052e+00 27 3.35606874e+00 -2.11115815e+01 1.34513314e+01 28 -2.13331942e+01 1.69202160e+01 6.76880404e+00 29 -4.14083639e+00 -8.78044884e+00 8.05123554e+00 30 1.42481296e+01 1.76518631e+01 6.42751656e+00 31 1.65665138e+01 -7.33787136e+00 1.42368764e+01 32 7.23918388e+00 1.53579038e+01 1.80337880e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2601124== Memcheck, a memory error detector ==2601124== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2601124== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==2601124== Command: python runner2.py MEAM_LAMMPS_KimLeeBaskes_2006_Ti__MO_472654156677_001 ==2601124== ==2601124== Mismatched free() / delete / delete [] ==2601124== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2601124== by 0x14BE8C41C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== 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) ==2601124== 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) ==2601124== 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) ==2601124== 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) ==2601124== 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) ==2601124== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2601124== Address 0x14b075250 is 0 bytes inside a block of size 1,024 alloc'd ==2601124== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2601124== by 0x14BE8BBA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== 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) ==2601124== 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) ==2601124== 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) ==2601124== 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) ==2601124== 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) ==2601124== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2601124== ==2601124== Mismatched free() / delete / delete [] ==2601124== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2601124== by 0x14BE86DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== 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) ==2601124== 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) ==2601124== 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) ==2601124== 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) ==2601124== 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) ==2601124== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2601124== Address 0x14b076340 is 0 bytes inside a block of size 1,024 alloc'd ==2601124== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2601124== by 0x14BE86BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-767b2ce3-3366-411c-986d-04689f5fe4d5-007-f8bb24b8-571f-4511-a231-dbf3794349f8/VC_561022993723_004-and-MO_472654156677_001-1683688331/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2601124== 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) ==2601124== 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) ==2601124== 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) ==2601124== 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) ==2601124== 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) ==2601124== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2601124== ==2601124== Conditional jump or move depends on uninitialised value(s) ==2601124== at 0x699E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2601124== by 0x6A9AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2601124== by 0x6AA3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2601124== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==2601124== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==2601124== by 0x69B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2601124== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==2601124== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==2601124== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==2601124== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==2601124== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==2601124== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==2601124== ==2601124== ==2601124== HEAP SUMMARY: ==2601124== in use at exit: 2,273,255 bytes in 1,703 blocks ==2601124== total heap usage: 60,742 allocs, 59,039 frees, 87,628,191 bytes allocated ==2601124== ==2601124== LEAK SUMMARY: ==2601124== definitely lost: 0 bytes in 0 blocks ==2601124== indirectly lost: 0 bytes in 0 blocks ==2601124== possibly lost: 188,754 bytes in 107 blocks ==2601124== still reachable: 2,084,469 bytes in 1,595 blocks ==2601124== of which reachable via heuristic: ==2601124== stdstring : 38 bytes in 1 blocks ==2601124== suppressed: 32 bytes in 1 blocks ==2601124== Rerun with --leak-check=full to see details of leaked memory ==2601124== ==2601124== Use --track-origins=yes to see where uninitialised values come from ==2601124== For lists of detected and suppressed errors, rerun with: -s ==2601124== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 17861 from 602) ================================================================================ 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.