!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_VellaChenStillinger_2017_Sn__MO_316045643888_002 Supported species : Sn random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Sn (Configuration in file "config-F-Sn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1113.7315161084762 Forces: 1 -2.07388768e+01 -6.32145565e+01 -4.42474347e+01 2 1.33679905e+01 3.24518174e+01 -6.53515841e+01 3 4.12745514e+00 -7.44921342e+01 -1.47507190e+01 4 -6.49643323e+01 6.05497423e+01 2.47119781e+01 5 5.13478663e+00 -5.93925383e+01 -1.72513952e+01 6 4.03406583e+01 -3.19354675e-01 -3.47103278e+01 7 2.73747779e+01 -8.48267883e+01 -5.19218147e+01 8 -1.19769791e+02 1.62625685e+02 -3.16488196e+01 9 -6.03510857e+01 -5.47099629e+01 -8.58981724e+01 10 3.63385833e+01 1.05704530e+02 -6.91101740e+01 11 -6.10903767e+00 -1.09099314e+02 1.51806053e+01 12 -9.93388048e+01 7.38646934e+01 4.26049852e+01 13 2.08953273e-01 -4.75774202e+01 -1.25087833e+02 14 6.27127345e+01 4.52076447e+01 -5.78072380e+01 15 1.30321565e+02 -5.94885994e+01 2.83339227e+01 16 -8.41159266e+01 1.29843668e+02 2.31829946e+01 17 -8.05345141e+01 -5.32529974e+01 -3.10479546e+01 18 2.41361563e+01 6.46172050e+01 -4.95924878e+01 19 2.99581822e+01 -7.76420959e+01 6.65563635e+01 20 -5.85427623e+01 4.15883780e+01 6.36417260e+01 21 -4.75406268e+01 -1.77384127e+02 6.60555913e+01 22 2.02606454e+02 6.79657216e+01 3.95989757e+01 23 3.07744531e+01 -1.66791278e+01 3.95222834e+01 24 1.72914849e+01 2.46090772e+01 5.66973713e+01 25 -5.43834500e+01 -3.51154197e+01 -3.51704270e+01 26 3.12612527e+01 9.23961720e+01 -4.37804557e+01 27 1.95942897e+01 -7.77508028e+01 6.97708217e+01 28 -1.20444540e+02 7.81781941e+01 8.02762367e+01 29 -1.59565969e+01 -6.85377622e+01 -6.41582126e+00 30 9.14681894e+01 6.09128006e+01 -3.93579724e+00 31 4.52056588e+01 -2.82786418e+01 5.33643704e+01 32 2.05667196e+01 4.72463146e+01 9.82302303e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Sn (Configuration in file "config-T-Sn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1113.7315161084762 Forces: 1 -2.07388768e+01 -6.32145565e+01 -4.42474347e+01 2 1.33679905e+01 3.24518174e+01 -6.53515841e+01 3 4.12745514e+00 -7.44921342e+01 -1.47507190e+01 4 -6.49643323e+01 6.05497423e+01 2.47119781e+01 5 5.13478663e+00 -5.93925383e+01 -1.72513952e+01 6 4.03406583e+01 -3.19354675e-01 -3.47103278e+01 7 2.73747779e+01 -8.48267883e+01 -5.19218147e+01 8 -1.19769791e+02 1.62625685e+02 -3.16488196e+01 9 -6.03510857e+01 -5.47099629e+01 -8.58981724e+01 10 3.63385833e+01 1.05704530e+02 -6.91101740e+01 11 -6.10903767e+00 -1.09099314e+02 1.51806053e+01 12 -9.93388048e+01 7.38646934e+01 4.26049852e+01 13 2.08953273e-01 -4.75774202e+01 -1.25087833e+02 14 6.27127345e+01 4.52076447e+01 -5.78072380e+01 15 1.30321565e+02 -5.94885994e+01 2.83339227e+01 16 -8.41159266e+01 1.29843668e+02 2.31829946e+01 17 -8.05345141e+01 -5.32529974e+01 -3.10479546e+01 18 2.41361563e+01 6.46172050e+01 -4.95924878e+01 19 2.99581822e+01 -7.76420959e+01 6.65563635e+01 20 -5.85427623e+01 4.15883780e+01 6.36417260e+01 21 -4.75406268e+01 -1.77384127e+02 6.60555913e+01 22 2.02606454e+02 6.79657216e+01 3.95989757e+01 23 3.07744531e+01 -1.66791278e+01 3.95222834e+01 24 1.72914849e+01 2.46090772e+01 5.66973713e+01 25 -5.43834500e+01 -3.51154197e+01 -3.51704270e+01 26 3.12612527e+01 9.23961720e+01 -4.37804557e+01 27 1.95942897e+01 -7.77508028e+01 6.97708217e+01 28 -1.20444540e+02 7.81781941e+01 8.02762367e+01 29 -1.59565969e+01 -6.85377622e+01 -6.41582126e+00 30 9.14681894e+01 6.09128006e+01 -3.93579724e+00 31 4.52056588e+01 -2.82786418e+01 5.33643704e+01 32 2.05667196e+01 4.72463146e+01 9.82302303e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2244910== Memcheck, a memory error detector ==2244910== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2244910== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==2244910== Command: python runner2.py MEAM_LAMMPS_VellaChenStillinger_2017_Sn__MO_316045643888_002 ==2244910== ==2244910== Mismatched free() / delete / delete [] ==2244910== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2244910== by 0x14BE8C41C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== 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) ==2244910== 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) ==2244910== 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) ==2244910== 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) ==2244910== 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) ==2244910== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2244910== Address 0x14b075750 is 0 bytes inside a block of size 1,024 alloc'd ==2244910== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2244910== by 0x14BE8BBA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== 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) ==2244910== 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) ==2244910== 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) ==2244910== 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) ==2244910== 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) ==2244910== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2244910== ==2244910== Mismatched free() / delete / delete [] ==2244910== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2244910== by 0x14BE86DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== 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) ==2244910== 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) ==2244910== 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) ==2244910== 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) ==2244910== 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) ==2244910== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2244910== Address 0x14b076700 is 0 bytes inside a block of size 1,024 alloc'd ==2244910== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2244910== by 0x14BE86BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_316045643888_002-1683683662/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244910== 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) ==2244910== 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) ==2244910== 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) ==2244910== 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) ==2244910== 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) ==2244910== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2244910== ==2244910== Conditional jump or move depends on uninitialised value(s) ==2244910== at 0x699E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2244910== by 0x6A9AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2244910== by 0x6AA3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2244910== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==2244910== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==2244910== by 0x69B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2244910== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==2244910== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==2244910== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==2244910== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==2244910== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==2244910== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==2244910== ==2244910== ==2244910== HEAP SUMMARY: ==2244910== in use at exit: 2,273,255 bytes in 1,703 blocks ==2244910== total heap usage: 60,802 allocs, 59,099 frees, 87,633,730 bytes allocated ==2244910== ==2244910== LEAK SUMMARY: ==2244910== definitely lost: 0 bytes in 0 blocks ==2244910== indirectly lost: 0 bytes in 0 blocks ==2244910== possibly lost: 188,754 bytes in 107 blocks ==2244910== still reachable: 2,084,469 bytes in 1,595 blocks ==2244910== of which reachable via heuristic: ==2244910== stdstring : 38 bytes in 1 blocks ==2244910== suppressed: 32 bytes in 1 blocks ==2244910== Rerun with --leak-check=full to see details of leaked memory ==2244910== ==2244910== Use --track-origins=yes to see where uninitialised values come from ==2244910== For lists of detected and suppressed errors, rerun with: -s ==2244910== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 17961 from 659) ================================================================================ 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.