!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Lee_2007_Si__MO_774917820956_001 Supported species : Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 184.98351259220345 Forces: 1 1.17813397e+01 6.52057269e+00 1.78994508e+01 2 1.91464216e+01 -5.40351258e+00 -2.83894838e+01 3 -3.16793307e+01 -3.35244835e+01 6.18903229e+00 4 -5.60489070e+01 4.98297891e+00 -3.36213367e+01 5 -8.01590457e+00 -3.29937719e+00 -1.30089595e+01 6 2.02920334e+01 -1.13548679e+01 -2.37600594e+01 7 -1.31438356e+01 1.91569938e+01 2.66433500e+01 8 2.23368836e+01 -4.99887213e+01 1.00176563e+01 9 -2.10481267e+01 7.78154802e-01 -1.87818831e+01 10 1.03990493e+01 4.25105394e+01 3.06883047e+00 11 -5.76646000e+01 -2.46112504e+00 5.57731012e+01 12 -1.58289540e+01 1.65514604e+01 -7.22773345e+00 13 1.07772513e+02 5.02050584e+01 1.47987584e+01 14 2.42507289e+01 1.81178222e+01 -3.25327366e+01 15 -3.94283914e+01 -2.89724831e+01 -2.31061502e+01 16 -9.76673542e+01 2.03748848e+01 -6.26904620e+01 17 -1.15784272e+01 -3.69859815e+01 -1.22859633e+01 18 2.17958308e+01 5.91611467e+00 -1.36910769e+01 19 -1.18475770e+01 -2.69334607e+01 3.50593352e+01 20 -1.53496907e+01 8.13182384e+00 2.14968279e+01 21 2.18144281e+01 -2.17018781e+01 -2.38938489e+01 22 3.90158915e+01 2.11476763e+00 9.01462858e+00 23 8.57804940e+00 -9.42631977e-01 1.52800002e+01 24 1.88859091e+01 1.47672097e+00 2.32513417e+01 25 2.18415368e+00 2.67980213e+00 -3.26397691e+01 26 3.95588594e+01 2.82052706e+01 2.44867684e+01 27 -3.04197039e+01 1.42442890e+01 1.18064681e+01 28 -2.49864456e+01 -6.15984595e+00 2.68745133e+01 29 -2.43836147e+00 -3.55617847e+01 8.57277178e+00 30 4.87067059e+01 -2.01873980e+00 -2.28332972e+01 31 -8.33707438e+00 8.89648825e+00 1.75015134e+01 32 2.89638865e+01 1.44451509e+01 2.07284122e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 184.98351259220345 Forces: 1 1.17813397e+01 6.52057269e+00 1.78994508e+01 2 1.91464216e+01 -5.40351258e+00 -2.83894838e+01 3 -3.16793307e+01 -3.35244835e+01 6.18903229e+00 4 -5.60489070e+01 4.98297891e+00 -3.36213367e+01 5 -8.01590457e+00 -3.29937719e+00 -1.30089595e+01 6 2.02920334e+01 -1.13548679e+01 -2.37600594e+01 7 -1.31438356e+01 1.91569938e+01 2.66433500e+01 8 2.23368836e+01 -4.99887213e+01 1.00176563e+01 9 -2.10481267e+01 7.78154802e-01 -1.87818831e+01 10 1.03990493e+01 4.25105394e+01 3.06883047e+00 11 -5.76646000e+01 -2.46112504e+00 5.57731012e+01 12 -1.58289540e+01 1.65514604e+01 -7.22773345e+00 13 1.07772513e+02 5.02050584e+01 1.47987584e+01 14 2.42507289e+01 1.81178222e+01 -3.25327366e+01 15 -3.94283914e+01 -2.89724831e+01 -2.31061502e+01 16 -9.76673542e+01 2.03748848e+01 -6.26904620e+01 17 -1.15784272e+01 -3.69859815e+01 -1.22859633e+01 18 2.17958308e+01 5.91611467e+00 -1.36910769e+01 19 -1.18475770e+01 -2.69334607e+01 3.50593352e+01 20 -1.53496907e+01 8.13182384e+00 2.14968279e+01 21 2.18144281e+01 -2.17018781e+01 -2.38938489e+01 22 3.90158915e+01 2.11476763e+00 9.01462858e+00 23 8.57804940e+00 -9.42631977e-01 1.52800002e+01 24 1.88859091e+01 1.47672097e+00 2.32513417e+01 25 2.18415368e+00 2.67980213e+00 -3.26397691e+01 26 3.95588594e+01 2.82052706e+01 2.44867684e+01 27 -3.04197039e+01 1.42442890e+01 1.18064681e+01 28 -2.49864456e+01 -6.15984595e+00 2.68745133e+01 29 -2.43836147e+00 -3.55617847e+01 8.57277178e+00 30 4.87067059e+01 -2.01873980e+00 -2.28332972e+01 31 -8.33707438e+00 8.89648825e+00 1.75015134e+01 32 2.89638865e+01 1.44451509e+01 2.07284122e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==182080== Memcheck, a memory error detector ==182080== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==182080== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==182080== Command: python runner2.py MEAM_LAMMPS_Lee_2007_Si__MO_774917820956_001 ==182080== ==182080== Mismatched free() / delete / delete [] ==182080== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==182080== by 0x11C68F41C: 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_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== by 0x11C5624EF: 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_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== by 0x11C563C23: 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_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== by 0x11C54CDB7: 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_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== by 0x11C55059E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== 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) ==182080== 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) ==182080== 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) ==182080== 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) ==182080== 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) ==182080== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==182080== Address 0x9127efd0 is 0 bytes inside a block of size 1,024 alloc'd ==182080== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==182080== by 0x11C68EBA1: 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_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== by 0x11C5624EF: 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_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== by 0x11C563C23: 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_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== by 0x11C54CDB7: 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_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== by 0x11C55059E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== 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) ==182080== 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) ==182080== 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) ==182080== 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) ==182080== 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) ==182080== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==182080== ==182080== Mismatched free() / delete / delete [] ==182080== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==182080== by 0x11C689DDD: 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_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== by 0x11C56251A: 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_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== by 0x11C563C23: 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_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== by 0x11C54CDB7: 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_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== by 0x11C55059E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== 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) ==182080== 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) ==182080== 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) ==182080== 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) ==182080== 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) ==182080== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==182080== Address 0x91280160 is 0 bytes inside a block of size 1,024 alloc'd ==182080== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==182080== by 0x11C689BBB: 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_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== by 0x11C56251A: 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_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== by 0x11C563C23: 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_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== by 0x11C54CDB7: 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_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== by 0x11C55059E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_774917820956_001-1683689766/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182080== 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) ==182080== 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) ==182080== 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) ==182080== 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) ==182080== 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) ==182080== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==182080== ==182080== Conditional jump or move depends on uninitialised value(s) ==182080== at 0x659E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==182080== by 0x669AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==182080== by 0x66A3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==182080== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==182080== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==182080== by 0x65B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==182080== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==182080== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==182080== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==182080== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==182080== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==182080== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==182080== ==182080== ==182080== HEAP SUMMARY: ==182080== in use at exit: 2,273,255 bytes in 1,703 blocks ==182080== total heap usage: 60,743 allocs, 59,040 frees, 139,688,668 bytes allocated ==182080== ==182080== LEAK SUMMARY: ==182080== definitely lost: 0 bytes in 0 blocks ==182080== indirectly lost: 0 bytes in 0 blocks ==182080== possibly lost: 188,754 bytes in 107 blocks ==182080== still reachable: 2,084,469 bytes in 1,595 blocks ==182080== of which reachable via heuristic: ==182080== stdstring : 38 bytes in 1 blocks ==182080== suppressed: 32 bytes in 1 blocks ==182080== Rerun with --leak-check=full to see details of leaked memory ==182080== ==182080== Use --track-origins=yes to see where uninitialised values come from ==182080== For lists of detected and suppressed errors, rerun with: -s ==182080== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 17059 from 559) ================================================================================ 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.