!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KoKimKwon_2018_Sn__MO_129364204512_001 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 = 480.89087922393566 Forces: 1 -1.90051812e+01 -2.50423689e+01 -3.07121070e+01 2 -1.18744061e+01 1.14532405e+01 -2.94752870e+01 3 1.21432390e+01 -2.81734781e+01 -9.41259958e+00 4 -2.66778676e+01 8.60190978e+00 -7.42214554e+00 5 1.46158910e+00 -4.52785899e+01 -2.20290401e+01 6 2.92961167e+01 8.26389688e+00 -3.07051716e+01 7 5.34246345e+00 -5.08870747e+01 -3.21048063e+01 8 -1.54991346e+00 -4.54486747e+01 1.70811082e+01 9 -3.09141346e+01 -1.09653926e+01 -4.66713440e+01 10 1.13384326e+00 5.77518404e+01 -4.68163539e+01 11 -1.92128521e+01 -1.70868218e+01 1.15763837e+01 12 -3.80099230e+01 3.94403076e+01 8.26814113e+00 13 8.79873669e+00 -5.10356802e+00 -5.33318972e+01 14 2.29065783e+01 3.21788783e+01 -1.95514873e+01 15 5.98844853e+01 -1.30426873e+01 -4.39573286e+00 16 6.69869599e+00 4.69311881e+01 -1.08695376e+01 17 -4.61896351e+01 -3.26433041e+01 9.05704527e+00 18 1.97868755e+01 2.50756377e+01 1.61939239e+01 19 -4.46694453e+00 -3.66108037e+01 2.52425174e+01 20 -1.74847923e+01 1.31536937e+01 1.77728864e+01 21 -1.15558926e+01 -3.01547438e+01 -8.97522677e+00 22 3.93450023e+01 4.42831075e+01 2.76446035e+01 23 2.47677571e+01 -9.10086191e+00 3.39666145e+01 24 3.29686815e+00 1.31898551e+01 2.45306940e+01 25 -3.41275273e+01 -1.18347748e+01 2.09317826e+01 26 -1.35334552e+01 5.16293952e+01 -1.78914582e+01 27 2.47376051e+01 -5.96907479e+01 2.82701462e+01 28 -6.25502780e+01 4.95905511e+01 1.95338301e+01 29 -1.32600794e+00 -4.94663693e+01 2.87650790e+01 30 2.96230859e+01 4.48592074e+01 -2.18703057e-01 31 3.23545459e+01 -1.77954500e+01 3.41092786e+01 32 1.69013234e+01 4.19230024e+01 4.76388633e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Sn (Configuration in file "config-T-Sn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 480.89087922393566 Forces: 1 -1.90051812e+01 -2.50423689e+01 -3.07121070e+01 2 -1.18744061e+01 1.14532405e+01 -2.94752870e+01 3 1.21432390e+01 -2.81734781e+01 -9.41259958e+00 4 -2.66778676e+01 8.60190978e+00 -7.42214554e+00 5 1.46158910e+00 -4.52785899e+01 -2.20290401e+01 6 2.92961167e+01 8.26389688e+00 -3.07051716e+01 7 5.34246345e+00 -5.08870747e+01 -3.21048063e+01 8 -1.54991346e+00 -4.54486747e+01 1.70811082e+01 9 -3.09141346e+01 -1.09653926e+01 -4.66713440e+01 10 1.13384326e+00 5.77518404e+01 -4.68163539e+01 11 -1.92128521e+01 -1.70868218e+01 1.15763837e+01 12 -3.80099230e+01 3.94403076e+01 8.26814113e+00 13 8.79873669e+00 -5.10356802e+00 -5.33318972e+01 14 2.29065783e+01 3.21788783e+01 -1.95514873e+01 15 5.98844853e+01 -1.30426873e+01 -4.39573286e+00 16 6.69869599e+00 4.69311881e+01 -1.08695376e+01 17 -4.61896351e+01 -3.26433041e+01 9.05704527e+00 18 1.97868755e+01 2.50756377e+01 1.61939239e+01 19 -4.46694453e+00 -3.66108037e+01 2.52425174e+01 20 -1.74847923e+01 1.31536937e+01 1.77728864e+01 21 -1.15558926e+01 -3.01547438e+01 -8.97522677e+00 22 3.93450023e+01 4.42831075e+01 2.76446035e+01 23 2.47677571e+01 -9.10086191e+00 3.39666145e+01 24 3.29686815e+00 1.31898551e+01 2.45306940e+01 25 -3.41275273e+01 -1.18347748e+01 2.09317826e+01 26 -1.35334552e+01 5.16293952e+01 -1.78914582e+01 27 2.47376051e+01 -5.96907479e+01 2.82701462e+01 28 -6.25502780e+01 4.95905511e+01 1.95338301e+01 29 -1.32600794e+00 -4.94663693e+01 2.87650790e+01 30 2.96230859e+01 4.48592074e+01 -2.18703057e-01 31 3.23545459e+01 -1.77954500e+01 3.41092786e+01 32 1.69013234e+01 4.19230024e+01 4.76388633e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==131443== Memcheck, a memory error detector ==131443== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==131443== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==131443== Command: python runner2.py MEAM_LAMMPS_KoKimKwon_2018_Sn__MO_129364204512_001 ==131443== ==138240== Warning: invalid file descriptor 255988 in syscall close() ==138240== Warning: invalid file descriptor 255989 in syscall close() ==138240== Warning: invalid file descriptor 255990 in syscall close() ==138240== Warning: invalid file descriptor 255991 in syscall close() ==138240== Use --log-fd= to select an alternative log fd. ==138240== Warning: invalid file descriptor 255992 in syscall close() ==138240== Warning: invalid file descriptor 255993 in syscall close() ==131443== Mismatched free() / delete / delete [] ==131443== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==131443== by 0x119CA539C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x119B7854D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x119B79C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x119B62DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x119B665CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x2B40BF1E: 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) ==131443== by 0x2B40CE18: 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) ==131443== by 0x2B411762: 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) ==131443== by 0x2B3C1246: 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) ==131443== by 0x1683B4C7: 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) ==131443== by 0x1684F2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==131443== Address 0x3e2d7b50 is 0 bytes inside a block of size 1,024 alloc'd ==131443== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==131443== by 0x119CA4B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x119B7854D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x119B79C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x119B62DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x119B665CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x2B40BF1E: 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) ==131443== by 0x2B40CE18: 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) ==131443== by 0x2B411762: 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) ==131443== by 0x2B3C1246: 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) ==131443== by 0x1683B4C7: 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) ==131443== by 0x1684F2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==131443== ==131443== Mismatched free() / delete / delete [] ==131443== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==131443== by 0x119C9FDCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x119B78578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x119B79C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x119B62DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x119B665CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x2B40BF1E: 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) ==131443== by 0x2B40CE18: 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) ==131443== by 0x2B411762: 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) ==131443== by 0x2B3C1246: 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) ==131443== by 0x1683B4C7: 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) ==131443== by 0x1684F2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==131443== Address 0x3e2d8c40 is 0 bytes inside a block of size 1,024 alloc'd ==131443== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==131443== by 0x119C9FBAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x119B78578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x119B79C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x119B62DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x119B665CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-cc3ddcda-7498-4d09-96d9-6467f24fd8e3-007-7364ec4d-c9d6-46f0-a3fd-7caa2a9aacb3/VC_561022993723_003-and-MO_129364204512_001-1656608945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==131443== by 0x2B40BF1E: 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) ==131443== by 0x2B40CE18: 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) ==131443== by 0x2B411762: 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) ==131443== by 0x2B3C1246: 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) ==131443== by 0x1683B4C7: 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) ==131443== by 0x1684F2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==131443== ==131443== ==131443== HEAP SUMMARY: ==131443== in use at exit: 2,202,999 bytes in 1,640 blocks ==131443== total heap usage: 50,226 allocs, 48,586 frees, 79,072,472 bytes allocated ==131443== ==131443== LEAK SUMMARY: ==131443== definitely lost: 0 bytes in 0 blocks ==131443== indirectly lost: 0 bytes in 0 blocks ==131443== possibly lost: 198,622 bytes in 101 blocks ==131443== still reachable: 2,004,345 bytes in 1,538 blocks ==131443== suppressed: 32 bytes in 1 blocks ==131443== Rerun with --leak-check=full to see details of leaked memory ==131443== ==131443== For lists of detected and suppressed errors, rerun with: -s ==131443== ERROR SUMMARY: 8 errors from 2 contexts (suppressed: 9083 from 554) ================================================================================ 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.