!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LeeLee_2005_C__MO_996970420049_001 Supported species : C random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = C (Configuration in file "config-F-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = -12.58471529901927 Forces: 1 -7.61477949e+00 4.37929624e-01 -3.83391984e+00 2 -2.77286292e+00 1.02458625e+01 -1.59374050e+01 3 -1.32248742e+00 -9.33626431e+00 1.53880447e+01 4 -8.48986537e+00 -3.29979538e+00 1.25379829e-01 5 1.08532292e+01 -7.37594038e+00 -2.79744595e+00 6 4.55136675e+00 -4.56115685e+00 -5.69703518e+00 7 -8.57127685e+00 3.84166267e-01 1.38640578e+01 8 -3.23338689e+00 -1.89181412e+01 3.34319262e+00 9 -7.33072671e+00 -5.15203848e+00 -1.53493114e+01 10 5.62832460e+00 1.65504159e+01 -1.42785842e+01 11 -1.44080486e+01 -2.26764656e+01 -3.18867271e+00 12 -1.66244368e+01 1.41016616e+01 7.71979680e+00 13 -8.01194483e+00 7.17408045e+00 -3.09842099e+01 14 8.48645053e+00 6.57639350e+00 -4.75110299e+00 15 3.88269666e+01 -5.07925063e+00 8.05216786e+00 16 -2.35070107e+00 3.00302626e+01 1.01221710e+00 17 -1.08984929e+01 -8.00271770e+00 -6.15905366e+00 18 8.14724843e+00 5.08100731e+00 -5.55443912e+00 19 6.04607911e+00 -9.62732344e+00 8.80735145e+00 20 -5.96834479e+00 7.09411946e+00 9.41750397e+00 21 -1.18233498e+01 -2.56494138e+01 -1.21622930e+01 22 3.19394238e+01 1.98776696e+01 -6.15835243e+00 23 -8.19131419e-01 -2.48570600e+00 6.06657844e+00 24 1.73948867e-01 7.57939644e+00 8.01658518e+00 25 -1.07371030e+00 -1.27814003e+01 -7.67492467e+00 26 7.79518013e+00 1.61263050e+01 -3.69392504e+00 27 -7.09172660e+00 -2.23600908e+00 -2.12703331e+00 28 -1.83415581e+01 1.06265661e+01 2.87472087e+01 29 -2.87163447e+00 -3.00851037e+01 1.24849347e+01 30 1.09388141e+01 7.82716394e+00 -2.67383300e+00 31 4.40183628e+00 -4.65827721e+00 1.29470198e+00 32 1.82959688e+00 1.22120040e+01 1.86818202e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = C (Configuration in file "config-T-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = -12.58471529901927 Forces: 1 -7.61477949e+00 4.37929624e-01 -3.83391984e+00 2 -2.77286292e+00 1.02458625e+01 -1.59374050e+01 3 -1.32248742e+00 -9.33626431e+00 1.53880447e+01 4 -8.48986537e+00 -3.29979538e+00 1.25379829e-01 5 1.08532292e+01 -7.37594038e+00 -2.79744595e+00 6 4.55136675e+00 -4.56115685e+00 -5.69703518e+00 7 -8.57127685e+00 3.84166267e-01 1.38640578e+01 8 -3.23338689e+00 -1.89181412e+01 3.34319262e+00 9 -7.33072671e+00 -5.15203848e+00 -1.53493114e+01 10 5.62832460e+00 1.65504159e+01 -1.42785842e+01 11 -1.44080486e+01 -2.26764656e+01 -3.18867271e+00 12 -1.66244368e+01 1.41016616e+01 7.71979680e+00 13 -8.01194483e+00 7.17408045e+00 -3.09842099e+01 14 8.48645053e+00 6.57639350e+00 -4.75110299e+00 15 3.88269666e+01 -5.07925063e+00 8.05216786e+00 16 -2.35070107e+00 3.00302626e+01 1.01221710e+00 17 -1.08984929e+01 -8.00271770e+00 -6.15905366e+00 18 8.14724843e+00 5.08100731e+00 -5.55443912e+00 19 6.04607911e+00 -9.62732344e+00 8.80735145e+00 20 -5.96834479e+00 7.09411946e+00 9.41750397e+00 21 -1.18233498e+01 -2.56494138e+01 -1.21622930e+01 22 3.19394238e+01 1.98776696e+01 -6.15835243e+00 23 -8.19131419e-01 -2.48570600e+00 6.06657844e+00 24 1.73948867e-01 7.57939644e+00 8.01658518e+00 25 -1.07371030e+00 -1.27814003e+01 -7.67492467e+00 26 7.79518013e+00 1.61263050e+01 -3.69392504e+00 27 -7.09172660e+00 -2.23600908e+00 -2.12703331e+00 28 -1.83415581e+01 1.06265661e+01 2.87472087e+01 29 -2.87163447e+00 -3.00851037e+01 1.24849347e+01 30 1.09388141e+01 7.82716394e+00 -2.67383300e+00 31 4.40183628e+00 -4.65827721e+00 1.29470198e+00 32 1.82959688e+00 1.22120040e+01 1.86818202e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2737069== Memcheck, a memory error detector ==2737069== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2737069== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==2737069== Command: python runner2.py MEAM_LAMMPS_LeeLee_2005_C__MO_996970420049_001 ==2737069== ==2737069== Mismatched free() / delete / delete [] ==2737069== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2737069== by 0x14BE9341C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14BD664EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14BD67C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14BD50DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14BD5459E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14B5C5F1E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==2737069== by 0x14B5C6E18: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==2737069== by 0x14B5CB762: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==2737069== by 0x14B57B246: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==2737069== by 0x14B4DB647: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==2737069== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2737069== Address 0x14b075350 is 0 bytes inside a block of size 1,024 alloc'd ==2737069== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2737069== by 0x14BE92BA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14BD664EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14BD67C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14BD50DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14BD5459E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14B5C5F1E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==2737069== by 0x14B5C6E18: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==2737069== by 0x14B5CB762: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==2737069== by 0x14B57B246: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==2737069== by 0x14B4DB647: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==2737069== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2737069== ==2737069== Mismatched free() / delete / delete [] ==2737069== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2737069== by 0x14BE8DDDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14BD6651A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14BD67C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14BD50DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14BD5459E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14B5C5F1E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==2737069== by 0x14B5C6E18: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==2737069== by 0x14B5CB762: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==2737069== by 0x14B57B246: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==2737069== by 0x14B4DB647: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==2737069== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2737069== Address 0x14b076440 is 0 bytes inside a block of size 1,024 alloc'd ==2737069== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2737069== by 0x14BE8DBBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14BD6651A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14BD67C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14BD50DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14BD5459E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-cfca2d09-af09-4d43-bedc-1258417edcac-007-2ef06e2f-5b81-45ec-9221-f21e383af534/VC_561022993723_004-and-MO_996970420049_001-1683691108/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2737069== by 0x14B5C5F1E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==2737069== by 0x14B5C6E18: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==2737069== by 0x14B5CB762: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==2737069== by 0x14B57B246: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==2737069== by 0x14B4DB647: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==2737069== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2737069== ==2737069== Conditional jump or move depends on uninitialised value(s) ==2737069== at 0x699E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2737069== by 0x6A9AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2737069== by 0x6AA3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2737069== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==2737069== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==2737069== by 0x69B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2737069== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==2737069== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==2737069== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==2737069== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==2737069== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==2737069== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==2737069== ==2737069== ==2737069== HEAP SUMMARY: ==2737069== in use at exit: 2,273,287 bytes in 1,703 blocks ==2737069== total heap usage: 60,887 allocs, 59,184 frees, 87,608,953 bytes allocated ==2737069== ==2737069== LEAK SUMMARY: ==2737069== definitely lost: 0 bytes in 0 blocks ==2737069== indirectly lost: 0 bytes in 0 blocks ==2737069== possibly lost: 188,754 bytes in 107 blocks ==2737069== still reachable: 2,084,501 bytes in 1,595 blocks ==2737069== of which reachable via heuristic: ==2737069== stdstring : 38 bytes in 1 blocks ==2737069== suppressed: 32 bytes in 1 blocks ==2737069== Rerun with --leak-check=full to see details of leaked memory ==2737069== ==2737069== Use --track-origins=yes to see where uninitialised values come from ==2737069== For lists of detected and suppressed errors, rerun with: -s ==2737069== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 17941 from 607) ================================================================================ 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.