!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LeeBaskesKim_2001_Fe__MO_196726067688_000 Supported species : Fe random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -2.802514364706264 Forces: 1 -5.34259516e+00 -5.58284574e+00 -8.66926911e+00 2 -5.51118880e+00 9.29800556e+00 -5.22872961e+00 3 1.83244201e+00 -6.64801638e+00 5.16254570e+00 4 -4.75130818e+00 5.38941934e+00 3.12182955e+00 5 -1.32817315e-01 -1.55009208e+01 -2.72772490e+00 6 9.96344673e+00 7.58333526e+00 -7.91993323e+00 7 5.60022814e+00 -2.42570445e+01 -1.98461996e+01 8 -1.13112670e+01 -1.13616021e+01 -4.00329793e+00 9 -2.40178227e+00 -1.13410898e+01 -1.24021423e+01 10 -3.70569601e+00 1.03798513e+01 -1.38091878e+01 11 -7.64290822e+00 -6.42140605e+00 -9.68929420e+00 12 -8.27488007e+00 1.05425078e+01 1.05358033e+01 13 -9.40124849e+00 -1.09246118e+01 -3.25034928e+01 14 5.83844064e+00 7.58673263e+00 -4.92062466e+00 15 3.05583454e+01 -9.76230566e+00 3.88008891e+00 16 2.99108839e+00 2.49399129e+01 7.90446566e+00 17 -9.38993418e+00 -6.53124123e+00 -4.79684320e+00 18 4.00705602e+00 2.32349313e+00 2.11027991e+00 19 4.32362382e+00 -7.62752648e+00 5.94902354e+00 20 -3.59372652e+00 5.22180237e+00 5.39546513e+00 21 -9.80161143e+00 -7.98796992e+00 6.61320675e+00 22 1.65936256e+01 1.81404459e+01 1.97107030e+01 23 2.12632691e+00 -5.69721743e-01 3.44198035e+00 24 1.34940653e+00 1.70139749e+00 2.94038792e+00 25 -1.71175632e+01 -5.27354470e+00 -4.92752505e+00 26 -4.93106997e+00 1.89231618e+01 -5.38107387e+00 27 1.35666913e+01 -2.62222172e+01 1.37893507e+01 28 -2.21820958e+01 2.15209731e+01 7.24816858e+00 29 -1.57423388e+00 -6.89308671e+00 1.16827740e+01 30 8.14778610e+00 1.33919099e+01 8.02727891e+00 31 1.24417038e+01 -4.84169367e+00 7.52354547e+00 32 7.72571513e+00 1.08038960e+01 1.17884409e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -2.802514364706264 Forces: 1 -5.34259516e+00 -5.58284574e+00 -8.66926911e+00 2 -5.51118880e+00 9.29800556e+00 -5.22872961e+00 3 1.83244201e+00 -6.64801638e+00 5.16254570e+00 4 -4.75130818e+00 5.38941934e+00 3.12182955e+00 5 -1.32817315e-01 -1.55009208e+01 -2.72772490e+00 6 9.96344673e+00 7.58333526e+00 -7.91993323e+00 7 5.60022814e+00 -2.42570445e+01 -1.98461996e+01 8 -1.13112670e+01 -1.13616021e+01 -4.00329793e+00 9 -2.40178227e+00 -1.13410898e+01 -1.24021423e+01 10 -3.70569601e+00 1.03798513e+01 -1.38091878e+01 11 -7.64290822e+00 -6.42140605e+00 -9.68929420e+00 12 -8.27488007e+00 1.05425078e+01 1.05358033e+01 13 -9.40124849e+00 -1.09246118e+01 -3.25034928e+01 14 5.83844064e+00 7.58673263e+00 -4.92062466e+00 15 3.05583454e+01 -9.76230566e+00 3.88008891e+00 16 2.99108839e+00 2.49399129e+01 7.90446566e+00 17 -9.38993418e+00 -6.53124123e+00 -4.79684320e+00 18 4.00705602e+00 2.32349313e+00 2.11027991e+00 19 4.32362382e+00 -7.62752648e+00 5.94902354e+00 20 -3.59372652e+00 5.22180237e+00 5.39546513e+00 21 -9.80161143e+00 -7.98796992e+00 6.61320675e+00 22 1.65936256e+01 1.81404459e+01 1.97107030e+01 23 2.12632691e+00 -5.69721743e-01 3.44198035e+00 24 1.34940653e+00 1.70139749e+00 2.94038792e+00 25 -1.71175632e+01 -5.27354470e+00 -4.92752505e+00 26 -4.93106997e+00 1.89231618e+01 -5.38107387e+00 27 1.35666913e+01 -2.62222172e+01 1.37893507e+01 28 -2.21820958e+01 2.15209731e+01 7.24816858e+00 29 -1.57423388e+00 -6.89308671e+00 1.16827740e+01 30 8.14778610e+00 1.33919099e+01 8.02727891e+00 31 1.24417038e+01 -4.84169367e+00 7.52354547e+00 32 7.72571513e+00 1.08038960e+01 1.17884409e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==97850== Memcheck, a memory error detector ==97850== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==97850== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==97850== Command: python runner2.py MEAM_LAMMPS_LeeBaskesKim_2001_Fe__MO_196726067688_000 ==97850== ==102461== Warning: invalid file descriptor 255988 in syscall close() ==102461== Warning: invalid file descriptor 255989 in syscall close() ==102461== Warning: invalid file descriptor 255990 in syscall close() ==102461== Warning: invalid file descriptor 255991 in syscall close() ==102461== Use --log-fd= to select an alternative log fd. ==102461== Warning: invalid file descriptor 255992 in syscall close() ==102461== Warning: invalid file descriptor 255993 in syscall close() ==97850== Mismatched free() / delete / delete [] ==97850== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==97850== by 0x119CA539C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x119B7854D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x119B79C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x119B62DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x119B665CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x2FA0EF1E: 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) ==97850== by 0x2FA0FE18: 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) ==97850== by 0x2FA14762: 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) ==97850== by 0x2F9C4246: 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) ==97850== by 0x1D0564C7: 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) ==97850== by 0x1D06A2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==97850== Address 0x3a6d9d00 is 0 bytes inside a block of size 1,024 alloc'd ==97850== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==97850== by 0x119CA4B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x119B7854D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x119B79C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x119B62DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x119B665CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x2FA0EF1E: 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) ==97850== by 0x2FA0FE18: 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) ==97850== by 0x2FA14762: 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) ==97850== by 0x2F9C4246: 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) ==97850== by 0x1D0564C7: 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) ==97850== by 0x1D06A2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==97850== ==97850== Mismatched free() / delete / delete [] ==97850== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==97850== by 0x119C9FDCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x119B78578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x119B79C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x119B62DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x119B665CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x2FA0EF1E: 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) ==97850== by 0x2FA0FE18: 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) ==97850== by 0x2FA14762: 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) ==97850== by 0x2F9C4246: 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) ==97850== by 0x1D0564C7: 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) ==97850== by 0x1D06A2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==97850== Address 0x3a6dae40 is 0 bytes inside a block of size 1,024 alloc'd ==97850== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==97850== by 0x119C9FBAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x119B78578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x119B79C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x119B62DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x119B665CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-961fae59-47dc-46e2-a8b6-36715abbfe4a-007-24b65f9f-9d8c-4045-8d1d-1386960890fa/VC_561022993723_003-and-MO_196726067688_000-1657922090/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==97850== by 0x2FA0EF1E: 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) ==97850== by 0x2FA0FE18: 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) ==97850== by 0x2FA14762: 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) ==97850== by 0x2F9C4246: 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) ==97850== by 0x1D0564C7: 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) ==97850== by 0x1D06A2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==97850== ==97850== ==97850== HEAP SUMMARY: ==97850== in use at exit: 2,202,999 bytes in 1,640 blocks ==97850== total heap usage: 50,226 allocs, 48,586 frees, 79,068,526 bytes allocated ==97850== ==97850== LEAK SUMMARY: ==97850== definitely lost: 0 bytes in 0 blocks ==97850== indirectly lost: 0 bytes in 0 blocks ==97850== possibly lost: 198,622 bytes in 101 blocks ==97850== still reachable: 2,004,345 bytes in 1,538 blocks ==97850== suppressed: 32 bytes in 1 blocks ==97850== Rerun with --leak-check=full to see details of leaked memory ==97850== ==97850== For lists of detected and suppressed errors, rerun with: -s ==97850== ERROR SUMMARY: 8 errors from 2 contexts (suppressed: 9019 from 547) ================================================================================ 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.