!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_HuangDongLiu_2018_Si__MO_050147023220_002 Supported species : Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 399.51921749447075 Forces: 1 -8.15412711e+00 -1.78793283e+01 -2.70489658e+01 2 -2.49486588e+00 3.06215160e+01 -3.26695525e+01 3 -5.42535322e-01 -3.67385030e+01 2.83264547e+01 4 -4.27527892e+01 1.43459062e+01 1.11198858e+01 5 1.05297161e+01 -4.05220516e+01 -2.17204551e+01 6 2.10770427e+01 1.73861852e+01 -2.03686903e+01 7 3.79247522e+01 -6.59691896e+01 -4.06233803e+01 8 -7.41229775e+01 -7.42067893e+00 -6.48385821e+01 9 -3.78049582e+01 -1.12782540e+01 -3.17521124e+01 10 -3.04665202e+01 8.81956370e+01 -6.04809479e+01 11 -2.24450258e+01 -8.14625115e+01 1.04915578e+01 12 -4.46878645e+01 4.92165762e+01 7.29644273e+00 13 3.54544090e+01 -6.49223089e+01 -8.21855886e+01 14 3.17208253e+01 2.73638519e+01 -2.86618262e+01 15 8.23480841e+01 -3.65038359e+01 -1.52688106e+01 16 5.48100056e-01 9.99453646e+01 2.73716147e+01 17 -4.89693787e+01 -2.89299632e+01 -3.11755580e+01 18 2.93698033e+01 1.33952756e+01 -2.86941126e+01 19 1.77896230e+01 -3.79258686e+01 3.50957533e+01 20 -3.41992703e+01 2.74979608e+01 4.33464804e+01 21 -5.30703823e+01 -7.21087111e+01 5.34362343e+01 22 1.06629768e+02 5.17551134e+01 3.42990233e+01 23 8.78873584e+00 -5.15871101e+00 1.68978013e+01 24 1.48635284e+01 1.47175016e+00 2.23386038e+01 25 -7.58717976e+00 -1.20844351e+01 6.33169022e+00 26 -2.83535575e+01 4.03489713e+01 -3.10166499e+01 27 4.37367422e+01 -8.53199266e+01 2.99863605e+01 28 -8.99095130e+01 7.92130284e+01 3.03489466e+01 29 -8.58805264e+00 -2.48345962e+01 3.50351823e+01 30 4.93367607e+01 4.12227387e+01 3.10883469e+01 31 2.70374383e+01 -8.17786563e+00 1.52085255e+01 32 1.69936688e+01 5.52568636e+01 7.84863280e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 399.51921749447075 Forces: 1 -8.15412711e+00 -1.78793283e+01 -2.70489658e+01 2 -2.49486588e+00 3.06215160e+01 -3.26695525e+01 3 -5.42535322e-01 -3.67385030e+01 2.83264547e+01 4 -4.27527892e+01 1.43459062e+01 1.11198858e+01 5 1.05297161e+01 -4.05220516e+01 -2.17204551e+01 6 2.10770427e+01 1.73861852e+01 -2.03686903e+01 7 3.79247522e+01 -6.59691896e+01 -4.06233803e+01 8 -7.41229775e+01 -7.42067893e+00 -6.48385821e+01 9 -3.78049582e+01 -1.12782540e+01 -3.17521124e+01 10 -3.04665202e+01 8.81956370e+01 -6.04809479e+01 11 -2.24450258e+01 -8.14625115e+01 1.04915578e+01 12 -4.46878645e+01 4.92165762e+01 7.29644273e+00 13 3.54544090e+01 -6.49223089e+01 -8.21855886e+01 14 3.17208253e+01 2.73638519e+01 -2.86618262e+01 15 8.23480841e+01 -3.65038359e+01 -1.52688106e+01 16 5.48100056e-01 9.99453646e+01 2.73716147e+01 17 -4.89693787e+01 -2.89299632e+01 -3.11755580e+01 18 2.93698033e+01 1.33952756e+01 -2.86941126e+01 19 1.77896230e+01 -3.79258686e+01 3.50957533e+01 20 -3.41992703e+01 2.74979608e+01 4.33464804e+01 21 -5.30703823e+01 -7.21087111e+01 5.34362343e+01 22 1.06629768e+02 5.17551134e+01 3.42990233e+01 23 8.78873584e+00 -5.15871101e+00 1.68978013e+01 24 1.48635284e+01 1.47175016e+00 2.23386038e+01 25 -7.58717976e+00 -1.20844351e+01 6.33169022e+00 26 -2.83535575e+01 4.03489713e+01 -3.10166499e+01 27 4.37367422e+01 -8.53199266e+01 2.99863605e+01 28 -8.99095130e+01 7.92130284e+01 3.03489466e+01 29 -8.58805264e+00 -2.48345962e+01 3.50351823e+01 30 4.93367607e+01 4.12227387e+01 3.10883469e+01 31 2.70374383e+01 -8.17786563e+00 1.52085255e+01 32 1.69936688e+01 5.52568636e+01 7.84863280e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1599223== Memcheck, a memory error detector ==1599223== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1599223== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1599223== Command: python runner2.py MEAM_LAMMPS_HuangDongLiu_2018_Si__MO_050147023220_002 ==1599223== ==1599223== Mismatched free() / delete / delete [] ==1599223== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1599223== by 0x14BE8C41C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== 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) ==1599223== 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) ==1599223== 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) ==1599223== 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) ==1599223== 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) ==1599223== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==1599223== Address 0x14b075240 is 0 bytes inside a block of size 1,024 alloc'd ==1599223== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1599223== by 0x14BE8BBA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== 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) ==1599223== 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) ==1599223== 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) ==1599223== 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) ==1599223== 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) ==1599223== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==1599223== ==1599223== Mismatched free() / delete / delete [] ==1599223== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1599223== by 0x14BE86DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== 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) ==1599223== 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) ==1599223== 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) ==1599223== 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) ==1599223== 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) ==1599223== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==1599223== Address 0x14b076330 is 0 bytes inside a block of size 1,024 alloc'd ==1599223== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1599223== by 0x14BE86BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-425eaf84-349f-412c-a9d4-ea3ca6b2478c-007-f9915239-016e-4aa9-8d7b-34934a7f5619/VC_561022993723_004-and-MO_050147023220_002-1683662987/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1599223== 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) ==1599223== 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) ==1599223== 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) ==1599223== 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) ==1599223== 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) ==1599223== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==1599223== ==1599223== Conditional jump or move depends on uninitialised value(s) ==1599223== at 0x699E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==1599223== by 0x6A9AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==1599223== by 0x6AA3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==1599223== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==1599223== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==1599223== by 0x69B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==1599223== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==1599223== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==1599223== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==1599223== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==1599223== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==1599223== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==1599223== ==1599223== ==1599223== HEAP SUMMARY: ==1599223== in use at exit: 2,273,255 bytes in 1,703 blocks ==1599223== total heap usage: 60,742 allocs, 59,039 frees, 87,628,378 bytes allocated ==1599223== ==1599223== LEAK SUMMARY: ==1599223== definitely lost: 0 bytes in 0 blocks ==1599223== indirectly lost: 0 bytes in 0 blocks ==1599223== possibly lost: 188,754 bytes in 107 blocks ==1599223== still reachable: 2,084,469 bytes in 1,595 blocks ==1599223== of which reachable via heuristic: ==1599223== stdstring : 38 bytes in 1 blocks ==1599223== suppressed: 32 bytes in 1 blocks ==1599223== Rerun with --leak-check=full to see details of leaked memory ==1599223== ==1599223== Use --track-origins=yes to see where uninitialised values come from ==1599223== For lists of detected and suppressed errors, rerun with: -s ==1599223== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 17865 from 603) ================================================================================ 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.