!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Pb__MO_019208265157_001 Supported species : Pb random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pb (Configuration in file "config-F-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 737.2611532116327 Forces: 1 -9.84408296e+00 -2.84375067e+01 -3.18141448e+01 2 -1.19610680e+01 1.15974091e+01 -4.36692478e+01 3 1.03161255e+01 -4.24993446e+01 -9.90724027e+00 4 -4.64414599e+01 1.35025354e+01 1.18841728e+01 5 -1.09097363e+01 -5.46677130e+01 -2.20612306e+01 6 3.58959608e+01 2.01561416e+01 -3.71490948e+01 7 2.07270769e+01 -6.92974046e+01 -3.17533594e+01 8 -2.39463001e+01 -3.08655262e+01 1.24746098e+00 9 -3.21472290e+01 -1.62813453e+01 -4.80914602e+01 10 -3.04220733e+01 9.62562990e+01 -9.33666743e+01 11 -2.89678694e+01 -6.51977477e+01 2.46000287e+01 12 -4.76341545e+01 5.21940410e+01 4.78875682e+00 13 4.34238463e+01 -3.72872212e+01 -9.69197119e+01 14 2.49633654e+01 3.11088520e+01 -2.58213621e+01 15 7.16195701e+01 -8.18559646e-01 -6.99382629e+00 16 3.29705617e+01 6.54621294e+01 5.45981416e+01 17 -5.98342565e+01 -3.48082297e+01 -1.65731572e+01 18 2.30130238e+01 2.76912634e+01 -1.08116817e+01 19 1.47455405e+01 -4.59534670e+01 4.74279322e+01 20 -2.92716930e+01 2.61591532e+01 3.81440659e+01 21 -3.27343404e+01 -6.74281571e+01 7.94014323e+00 22 8.89050860e+01 6.12314221e+01 4.05091406e+01 23 3.74406218e+01 -2.36966240e+01 2.33075133e+01 24 -1.79528099e+01 2.36516904e+01 3.82706836e+01 25 -3.54621033e+01 -1.49982133e+01 4.38132898e+00 26 -4.29113777e-01 5.81047957e+01 -1.56496543e+01 27 2.70898170e+01 -7.69653459e+01 4.59328112e+01 28 -8.65577135e+01 6.53448295e+01 4.61060662e+01 29 -1.61498535e+01 -1.39742881e+01 1.57609668e+01 30 3.57970630e+01 4.31428945e+01 -6.74334626e+00 31 3.98506504e+01 -2.22274555e+01 3.93728663e+01 32 1.39075482e+01 4.98006935e+01 5.30531126e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pb (Configuration in file "config-T-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 737.2611532116327 Forces: 1 -9.84408296e+00 -2.84375067e+01 -3.18141448e+01 2 -1.19610680e+01 1.15974091e+01 -4.36692478e+01 3 1.03161255e+01 -4.24993446e+01 -9.90724027e+00 4 -4.64414599e+01 1.35025354e+01 1.18841728e+01 5 -1.09097363e+01 -5.46677130e+01 -2.20612306e+01 6 3.58959608e+01 2.01561416e+01 -3.71490948e+01 7 2.07270769e+01 -6.92974046e+01 -3.17533594e+01 8 -2.39463001e+01 -3.08655262e+01 1.24746098e+00 9 -3.21472290e+01 -1.62813453e+01 -4.80914602e+01 10 -3.04220733e+01 9.62562990e+01 -9.33666743e+01 11 -2.89678694e+01 -6.51977477e+01 2.46000287e+01 12 -4.76341545e+01 5.21940410e+01 4.78875682e+00 13 4.34238463e+01 -3.72872212e+01 -9.69197119e+01 14 2.49633654e+01 3.11088520e+01 -2.58213621e+01 15 7.16195701e+01 -8.18559646e-01 -6.99382629e+00 16 3.29705617e+01 6.54621294e+01 5.45981416e+01 17 -5.98342565e+01 -3.48082297e+01 -1.65731572e+01 18 2.30130238e+01 2.76912634e+01 -1.08116817e+01 19 1.47455405e+01 -4.59534670e+01 4.74279322e+01 20 -2.92716930e+01 2.61591532e+01 3.81440659e+01 21 -3.27343404e+01 -6.74281571e+01 7.94014323e+00 22 8.89050860e+01 6.12314221e+01 4.05091406e+01 23 3.74406218e+01 -2.36966240e+01 2.33075133e+01 24 -1.79528099e+01 2.36516904e+01 3.82706836e+01 25 -3.54621033e+01 -1.49982133e+01 4.38132898e+00 26 -4.29113777e-01 5.81047957e+01 -1.56496543e+01 27 2.70898170e+01 -7.69653459e+01 4.59328112e+01 28 -8.65577135e+01 6.53448295e+01 4.61060662e+01 29 -1.61498535e+01 -1.39742881e+01 1.57609668e+01 30 3.57970630e+01 4.31428945e+01 -6.74334626e+00 31 3.98506504e+01 -2.22274555e+01 3.93728663e+01 32 1.39075482e+01 4.98006935e+01 5.30531126e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==185927== Memcheck, a memory error detector ==185927== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==185927== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==185927== Command: python runner2.py MEAM_LAMMPS_LeeShimBaskes_2003_Pb__MO_019208265157_001 ==185927== ==185927== Mismatched free() / delete / delete [] ==185927== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==185927== by 0x11C68D41C: 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_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11C5604EF: 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_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11C561C23: 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_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11C54ADB7: 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_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11C54E59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11BDC6F1E: 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) ==185927== by 0x11BDC7E18: 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) ==185927== by 0x11BDCC762: 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) ==185927== by 0x11BD7C246: 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) ==185927== by 0x11BCDC647: 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) ==185927== by 0x11BCF214B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==185927== Address 0x913ef0d0 is 0 bytes inside a block of size 1,024 alloc'd ==185927== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==185927== by 0x11C68CBA1: 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_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11C5604EF: 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_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11C561C23: 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_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11C54ADB7: 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_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11C54E59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11BDC6F1E: 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) ==185927== by 0x11BDC7E18: 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) ==185927== by 0x11BDCC762: 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) ==185927== by 0x11BD7C246: 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) ==185927== by 0x11BCDC647: 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) ==185927== by 0x11BCF214B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==185927== ==185927== Mismatched free() / delete / delete [] ==185927== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==185927== by 0x11C687DDD: 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_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11C56051A: 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_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11C561C23: 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_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11C54ADB7: 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_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11C54E59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11BDC6F1E: 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) ==185927== by 0x11BDC7E18: 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) ==185927== by 0x11BDCC762: 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) ==185927== by 0x11BD7C246: 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) ==185927== by 0x11BCDC647: 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) ==185927== by 0x11BCF214B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==185927== Address 0x913f0260 is 0 bytes inside a block of size 1,024 alloc'd ==185927== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==185927== by 0x11C687BBB: 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_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11C56051A: 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_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11C561C23: 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_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11C54ADB7: 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_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11C54E59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-b6c82085-f6f5-49a2-8f46-8113bd741b97-007-93b3092a-b96a-4e2c-8f0c-6b9356176e9b/VC_561022993723_004-and-MO_019208265157_001-1683691926/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==185927== by 0x11BDC6F1E: 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) ==185927== by 0x11BDC7E18: 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) ==185927== by 0x11BDCC762: 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) ==185927== by 0x11BD7C246: 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) ==185927== by 0x11BCDC647: 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) ==185927== by 0x11BCF214B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==185927== ==185927== Conditional jump or move depends on uninitialised value(s) ==185927== at 0x659E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==185927== by 0x669AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==185927== by 0x66A3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==185927== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==185927== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==185927== by 0x65B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==185927== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==185927== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==185927== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==185927== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==185927== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==185927== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==185927== ==185927== ==185927== HEAP SUMMARY: ==185927== in use at exit: 2,273,255 bytes in 1,703 blocks ==185927== total heap usage: 60,743 allocs, 59,040 frees, 139,696,926 bytes allocated ==185927== ==185927== LEAK SUMMARY: ==185927== definitely lost: 0 bytes in 0 blocks ==185927== indirectly lost: 0 bytes in 0 blocks ==185927== possibly lost: 188,754 bytes in 107 blocks ==185927== still reachable: 2,084,469 bytes in 1,595 blocks ==185927== of which reachable via heuristic: ==185927== stdstring : 38 bytes in 1 blocks ==185927== suppressed: 32 bytes in 1 blocks ==185927== Rerun with --leak-check=full to see details of leaked memory ==185927== ==185927== Use --track-origins=yes to see where uninitialised values come from ==185927== For lists of detected and suppressed errors, rerun with: -s ==185927== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 16812 from 569) ================================================================================ To pass this verification check the number of bytes that are "definitely lost" or "indirectly lost" must be zero. NOTE that Valgrind will typically report non-zero "possibly lost" bytes due to Python's internal memory allocation and garbage collection that it does not monitor. Full Valgrind output written to auxiliary file "valgrind.out" Grade: P Comment: No memory leak detected.