!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimKoLee_2020_Na__MO_321355778754_002 Supported species : Na random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Na (Configuration in file "config-F-Na.xyz") ----------------------------------------------------------------------------------------------------- Energy = 116.02878918780358 Forces: 1 -3.71579592e+00 -3.55486097e+00 -4.79445471e+00 2 -1.39652120e+00 1.50932898e+00 -7.94794388e+00 3 3.40920198e-01 -6.96436619e+00 2.63408303e+00 4 -7.07957473e+00 1.13709447e+00 1.22377492e+00 5 9.28582257e-01 -7.24621704e+00 -4.06728384e+00 6 5.20515015e+00 6.71227694e-01 -5.60696089e+00 7 3.44072185e+00 -7.06037263e+00 -2.18102498e+00 8 -1.73710263e+00 -2.49295466e+00 1.46206428e+00 9 -4.30339000e+00 -1.09453065e+00 -7.70982333e+00 10 -3.56886696e+00 1.00590680e+01 -9.36771344e+00 11 -1.85711241e+00 -5.08643115e+00 1.87845920e+00 12 -6.39832415e+00 7.76011404e+00 3.45842188e-01 13 1.25048396e+00 -3.72081834e+00 -1.16572212e+01 14 6.54411595e+00 5.24830829e+00 -4.76894389e+00 15 1.11330413e+01 -1.19787694e+00 -1.86110692e-01 16 -7.81113226e-01 9.33540447e+00 6.94909397e+00 17 -6.53865039e+00 -4.80348192e+00 -1.97565756e+00 18 2.19918830e+00 2.79630369e+00 -2.05614839e+00 19 1.94495780e+00 -6.53574805e+00 5.54812692e+00 20 -5.12369407e+00 2.77795036e+00 5.05594131e+00 21 -3.27802613e+00 -7.00136688e+00 1.44452707e+00 22 9.36795978e+00 4.63970391e+00 2.63597982e+00 23 2.90663376e+00 -2.14002989e+00 4.56488965e+00 24 8.68108170e-01 -1.29365904e+00 5.43738179e+00 25 -4.54230521e+00 -1.28424193e+00 1.96737522e+00 26 -3.02717861e-01 6.77621173e+00 -2.43893142e+00 27 6.33490612e-01 -5.56583052e+00 5.36440140e+00 28 -8.38607185e+00 6.03696050e+00 4.77617174e+00 29 -2.27004648e+00 -3.46829537e+00 -6.73808257e-01 30 6.73278854e+00 6.52208134e+00 2.07686903e-01 31 6.00341992e+00 -1.54712925e+00 6.99105249e+00 32 1.77975066e+00 6.78845399e+00 6.94517455e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Na (Configuration in file "config-T-Na.xyz") ----------------------------------------------------------------------------------------------------- Energy = 116.02878918780358 Forces: 1 -3.71579592e+00 -3.55486097e+00 -4.79445471e+00 2 -1.39652120e+00 1.50932898e+00 -7.94794388e+00 3 3.40920198e-01 -6.96436619e+00 2.63408303e+00 4 -7.07957473e+00 1.13709447e+00 1.22377492e+00 5 9.28582257e-01 -7.24621704e+00 -4.06728384e+00 6 5.20515015e+00 6.71227694e-01 -5.60696089e+00 7 3.44072185e+00 -7.06037263e+00 -2.18102498e+00 8 -1.73710263e+00 -2.49295466e+00 1.46206428e+00 9 -4.30339000e+00 -1.09453065e+00 -7.70982333e+00 10 -3.56886696e+00 1.00590680e+01 -9.36771344e+00 11 -1.85711241e+00 -5.08643115e+00 1.87845920e+00 12 -6.39832415e+00 7.76011404e+00 3.45842188e-01 13 1.25048396e+00 -3.72081834e+00 -1.16572212e+01 14 6.54411595e+00 5.24830829e+00 -4.76894389e+00 15 1.11330413e+01 -1.19787694e+00 -1.86110692e-01 16 -7.81113226e-01 9.33540447e+00 6.94909397e+00 17 -6.53865039e+00 -4.80348192e+00 -1.97565756e+00 18 2.19918830e+00 2.79630369e+00 -2.05614839e+00 19 1.94495780e+00 -6.53574805e+00 5.54812692e+00 20 -5.12369407e+00 2.77795036e+00 5.05594131e+00 21 -3.27802613e+00 -7.00136688e+00 1.44452707e+00 22 9.36795978e+00 4.63970391e+00 2.63597982e+00 23 2.90663376e+00 -2.14002989e+00 4.56488965e+00 24 8.68108170e-01 -1.29365904e+00 5.43738179e+00 25 -4.54230521e+00 -1.28424193e+00 1.96737522e+00 26 -3.02717861e-01 6.77621173e+00 -2.43893142e+00 27 6.33490612e-01 -5.56583052e+00 5.36440140e+00 28 -8.38607185e+00 6.03696050e+00 4.77617174e+00 29 -2.27004648e+00 -3.46829537e+00 -6.73808257e-01 30 6.73278854e+00 6.52208134e+00 2.07686903e-01 31 6.00341992e+00 -1.54712925e+00 6.99105249e+00 32 1.77975066e+00 6.78845399e+00 6.94517455e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==27735== Memcheck, a memory error detector ==27735== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==27735== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==27735== Command: python runner2.py MEAM_LAMMPS_KimKoLee_2020_Na__MO_321355778754_002 ==27735== ==27735== Mismatched free() / delete / delete [] ==27735== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==27735== by 0x11C68D41C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11C5604EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11C561C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11C54ADB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11C54E59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11BDC6F1E: 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) ==27735== by 0x11BDC7E18: 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) ==27735== by 0x11BDCC762: 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) ==27735== by 0x11BD7C246: 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) ==27735== by 0x11BCDC647: 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) ==27735== by 0x11BCF214B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==27735== Address 0x91f52f90 is 0 bytes inside a block of size 1,024 alloc'd ==27735== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==27735== by 0x11C68CBA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11C5604EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11C561C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11C54ADB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11C54E59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11BDC6F1E: 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) ==27735== by 0x11BDC7E18: 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) ==27735== by 0x11BDCC762: 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) ==27735== by 0x11BD7C246: 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) ==27735== by 0x11BCDC647: 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) ==27735== by 0x11BCF214B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==27735== ==27735== Mismatched free() / delete / delete [] ==27735== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==27735== by 0x11C687DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11C56051A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11C561C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11C54ADB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11C54E59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11BDC6F1E: 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) ==27735== by 0x11BDC7E18: 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) ==27735== by 0x11BDCC762: 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) ==27735== by 0x11BD7C246: 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) ==27735== by 0x11BCDC647: 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) ==27735== by 0x11BCF214B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==27735== Address 0x91f54120 is 0 bytes inside a block of size 1,024 alloc'd ==27735== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==27735== by 0x11C687BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11C56051A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11C561C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11C54ADB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11C54E59E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-ce1f36b2-f4d3-497b-ae8e-bbefdeb6e5af-007-ee4e54dc-f4fe-4793-be50-7a279ec6a25c/VC_561022993723_004-and-MO_321355778754_002-1683674111/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==27735== by 0x11BDC6F1E: 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) ==27735== by 0x11BDC7E18: 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) ==27735== by 0x11BDCC762: 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) ==27735== by 0x11BD7C246: 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) ==27735== by 0x11BCDC647: 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) ==27735== by 0x11BCF214B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==27735== ==27735== Conditional jump or move depends on uninitialised value(s) ==27735== at 0x659E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==27735== by 0x669AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==27735== by 0x66A3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==27735== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==27735== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==27735== by 0x65B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==27735== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==27735== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==27735== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==27735== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==27735== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==27735== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==27735== ==27735== ==27735== HEAP SUMMARY: ==27735== in use at exit: 2,273,255 bytes in 1,703 blocks ==27735== total heap usage: 60,743 allocs, 59,040 frees, 139,692,566 bytes allocated ==27735== ==27735== LEAK SUMMARY: ==27735== definitely lost: 0 bytes in 0 blocks ==27735== indirectly lost: 0 bytes in 0 blocks ==27735== possibly lost: 188,754 bytes in 107 blocks ==27735== still reachable: 2,084,469 bytes in 1,595 blocks ==27735== of which reachable via heuristic: ==27735== stdstring : 38 bytes in 1 blocks ==27735== suppressed: 32 bytes in 1 blocks ==27735== Rerun with --leak-check=full to see details of leaked memory ==27735== ==27735== Use --track-origins=yes to see where uninitialised values come from ==27735== For lists of detected and suppressed errors, rerun with: -s ==27735== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 16928 from 579) ================================================================================ 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.