!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Nb__MO_802302521552_001 Supported species : Nb random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Nb (Configuration in file "config-F-Nb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.492652604947361 Forces: 1 -5.80273919e+00 -5.23300784e+00 -7.45358351e+00 2 -2.34559056e+00 -1.36706553e+00 -1.84518307e+01 3 1.98764274e+00 -1.76818904e+01 -4.07437731e+00 4 -1.74921804e+01 2.28029705e+00 -2.21415777e+00 5 -1.31986102e-01 -1.28030786e+01 -6.92510692e+00 6 8.39408181e+00 -3.12447881e+00 -1.19580464e+01 7 9.98792143e+00 -2.09007179e+01 -3.13031266e+00 8 -4.49951154e+00 -2.04689879e+01 -6.51190763e+00 9 -1.09170165e+01 -1.08713654e+00 -1.43366564e+01 10 -7.38850520e+00 2.23759620e+01 -1.86585440e+01 11 -1.25248838e+01 -1.31734996e+01 4.77235668e+00 12 -1.39964408e+01 1.18716934e+01 -9.71369614e-01 13 1.40686299e+01 6.59863997e+00 -2.96109217e+01 14 9.26072076e+00 8.51927955e+00 -9.52257282e+00 15 2.84950718e+01 5.02992474e+00 -1.10228357e+01 16 -4.48409655e+00 3.02435560e+01 5.27851370e+00 17 -1.68415373e+01 -1.32790876e+01 3.02247692e+00 18 2.14552612e+00 5.40228151e+00 -3.82264016e+00 19 2.97823189e+00 -1.31039365e+01 1.11193775e+01 20 -1.20811889e+01 2.57013259e+00 1.18213120e+01 21 -6.75281617e-01 -1.83222716e+01 4.82752819e+00 22 2.73081209e+01 -4.92154234e+00 1.49713845e+01 23 3.05061280e+00 -2.38740491e+00 5.15742705e+00 24 5.48450192e+00 -6.92689266e-01 1.40863870e+01 25 -2.13559972e+01 -3.07677421e+00 -9.26990567e+00 26 6.38454248e+00 2.64656632e+01 -5.98238010e+00 27 9.82811896e-01 -1.04676779e+01 2.61158890e+01 28 -1.89985032e+01 1.24947589e+01 1.51280308e+01 29 -3.57192264e+00 -9.83350690e-01 1.41820233e+01 30 1.42905287e+01 1.42546364e+01 2.69468415e+00 31 1.11762263e+01 1.69476598e+00 1.41630821e+01 32 7.11221036e+00 1.32730072e+01 1.65766760e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Nb (Configuration in file "config-T-Nb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.492652604947361 Forces: 1 -5.80273919e+00 -5.23300784e+00 -7.45358351e+00 2 -2.34559056e+00 -1.36706553e+00 -1.84518307e+01 3 1.98764274e+00 -1.76818904e+01 -4.07437731e+00 4 -1.74921804e+01 2.28029705e+00 -2.21415777e+00 5 -1.31986102e-01 -1.28030786e+01 -6.92510692e+00 6 8.39408181e+00 -3.12447881e+00 -1.19580464e+01 7 9.98792143e+00 -2.09007179e+01 -3.13031266e+00 8 -4.49951154e+00 -2.04689879e+01 -6.51190763e+00 9 -1.09170165e+01 -1.08713654e+00 -1.43366564e+01 10 -7.38850520e+00 2.23759620e+01 -1.86585440e+01 11 -1.25248838e+01 -1.31734996e+01 4.77235668e+00 12 -1.39964408e+01 1.18716934e+01 -9.71369614e-01 13 1.40686299e+01 6.59863997e+00 -2.96109217e+01 14 9.26072076e+00 8.51927955e+00 -9.52257282e+00 15 2.84950718e+01 5.02992474e+00 -1.10228357e+01 16 -4.48409655e+00 3.02435560e+01 5.27851370e+00 17 -1.68415373e+01 -1.32790876e+01 3.02247692e+00 18 2.14552612e+00 5.40228151e+00 -3.82264016e+00 19 2.97823189e+00 -1.31039365e+01 1.11193775e+01 20 -1.20811889e+01 2.57013259e+00 1.18213120e+01 21 -6.75281617e-01 -1.83222716e+01 4.82752819e+00 22 2.73081209e+01 -4.92154234e+00 1.49713845e+01 23 3.05061280e+00 -2.38740491e+00 5.15742705e+00 24 5.48450192e+00 -6.92689266e-01 1.40863870e+01 25 -2.13559972e+01 -3.07677421e+00 -9.26990567e+00 26 6.38454248e+00 2.64656632e+01 -5.98238010e+00 27 9.82811896e-01 -1.04676779e+01 2.61158890e+01 28 -1.89985032e+01 1.24947589e+01 1.51280308e+01 29 -3.57192264e+00 -9.83350690e-01 1.41820233e+01 30 1.42905287e+01 1.42546364e+01 2.69468415e+00 31 1.11762263e+01 1.69476598e+00 1.41630821e+01 32 7.11221036e+00 1.32730072e+01 1.65766760e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==183273== Memcheck, a memory error detector ==183273== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==183273== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==183273== Command: python runner2.py MEAM_LAMMPS_LeeBaskesKim_2001_Nb__MO_802302521552_001 ==183273== ==183273== Mismatched free() / delete / delete [] ==183273== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==183273== by 0x11C68841C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11C55B4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11BDC1F1E: 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) ==183273== by 0x11BDC2E18: 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) ==183273== by 0x11BDC7762: 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) ==183273== by 0x11BD77246: 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) ==183273== by 0x11BCD7647: 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) ==183273== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==183273== Address 0x91173b30 is 0 bytes inside a block of size 1,024 alloc'd ==183273== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==183273== by 0x11C687BA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11C55B4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11BDC1F1E: 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) ==183273== by 0x11BDC2E18: 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) ==183273== by 0x11BDC7762: 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) ==183273== by 0x11BD77246: 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) ==183273== by 0x11BCD7647: 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) ==183273== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==183273== ==183273== Mismatched free() / delete / delete [] ==183273== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==183273== by 0x11C682DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11C55B51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11BDC1F1E: 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) ==183273== by 0x11BDC2E18: 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) ==183273== by 0x11BDC7762: 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) ==183273== by 0x11BD77246: 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) ==183273== by 0x11BCD7647: 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) ==183273== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==183273== Address 0x91174cc0 is 0 bytes inside a block of size 1,024 alloc'd ==183273== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==183273== by 0x11C682BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11C55B51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_802302521552_001-1683690440/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183273== by 0x11BDC1F1E: 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) ==183273== by 0x11BDC2E18: 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) ==183273== by 0x11BDC7762: 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) ==183273== by 0x11BD77246: 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) ==183273== by 0x11BCD7647: 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) ==183273== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==183273== ==183273== Conditional jump or move depends on uninitialised value(s) ==183273== at 0x659E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==183273== by 0x669AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==183273== by 0x66A3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==183273== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==183273== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==183273== by 0x65B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==183273== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==183273== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==183273== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==183273== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==183273== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==183273== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==183273== ==183273== ==183273== HEAP SUMMARY: ==183273== in use at exit: 2,273,255 bytes in 1,703 blocks ==183273== total heap usage: 60,743 allocs, 59,040 frees, 139,691,692 bytes allocated ==183273== ==183273== LEAK SUMMARY: ==183273== definitely lost: 0 bytes in 0 blocks ==183273== indirectly lost: 0 bytes in 0 blocks ==183273== possibly lost: 188,754 bytes in 107 blocks ==183273== still reachable: 2,084,469 bytes in 1,595 blocks ==183273== of which reachable via heuristic: ==183273== stdstring : 38 bytes in 1 blocks ==183273== suppressed: 32 bytes in 1 blocks ==183273== Rerun with --leak-check=full to see details of leaked memory ==183273== ==183273== Use --track-origins=yes to see where uninitialised values come from ==183273== For lists of detected and suppressed errors, rerun with: -s ==183273== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 16852 from 566) ================================================================================ 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.