!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Wagner_2007_Ni__MO_444394830472_002 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 3332.3288348468914 Forces: 1 1.24536345e+02 5.59119151e+01 -1.46753729e+02 2 -2.13884485e+02 6.92357588e+01 -1.22543067e+02 3 -2.42728171e+02 -3.18396508e+02 4.51373167e+02 4 -1.26055202e+02 1.17682171e+02 8.51246671e+01 5 9.20806168e+01 -8.22178114e+01 -1.23538205e+01 6 -2.79719364e+01 2.24473168e+01 2.45272067e+00 7 1.49392262e+02 -2.70520256e+02 -1.08345032e+02 8 -2.14285486e+02 -2.25022674e+02 2.07451583e+02 9 -1.21994094e+01 -1.03289512e+02 -8.10524742e+01 10 -5.91723756e+01 7.08368521e+01 -1.71459597e+01 11 5.50282129e+01 1.85134635e+01 4.01255902e+01 12 1.77018495e+01 1.98205105e+01 6.04202636e+01 13 -1.20747683e+04 -8.49175631e+03 -2.74749396e+02 14 1.21550058e+04 8.41421216e+03 1.89243277e+02 15 2.62040375e+02 3.57568962e+02 -2.21182866e+01 16 -1.70361531e+01 3.21928430e+01 2.70088791e+01 17 -3.80904275e+03 4.17871911e+03 1.88199340e+03 18 3.65684128e+02 3.87292077e+02 6.78474124e+01 19 7.48588064e+03 -3.03700466e+03 1.04223996e+03 20 -3.75466136e+03 -1.28117012e+03 -3.45315932e+03 21 -3.37323226e+02 -9.89527725e+02 -1.94335387e+03 22 -1.68899004e+02 1.69991727e+02 -4.69256012e+01 23 -7.08657488e+02 1.34779951e+03 9.37503332e+02 24 1.04654690e+03 -3.50551900e+02 1.03085581e+03 25 -2.64050152e+04 2.80183499e+04 7.38484590e+03 26 -4.44045240e+01 2.12133116e+01 3.17655511e+01 27 3.97651470e+04 -1.21099950e+04 3.92298518e+04 28 -1.33315211e+04 -1.59847945e+04 -4.64341569e+04 29 3.13657367e+01 -2.95421246e+01 6.61981120e+00 30 3.17672307e+01 2.78232213e+01 -1.04096203e+02 31 -5.94377202e+00 -1.08598206e+02 3.93250254e+01 32 -2.86070777e+01 5.27764727e+01 5.07054735e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 3332.3288348468914 Forces: 1 1.24536345e+02 5.59119151e+01 -1.46753729e+02 2 -2.13884485e+02 6.92357588e+01 -1.22543067e+02 3 -2.42728171e+02 -3.18396508e+02 4.51373167e+02 4 -1.26055202e+02 1.17682171e+02 8.51246671e+01 5 9.20806168e+01 -8.22178114e+01 -1.23538205e+01 6 -2.79719364e+01 2.24473168e+01 2.45272067e+00 7 1.49392262e+02 -2.70520256e+02 -1.08345032e+02 8 -2.14285486e+02 -2.25022674e+02 2.07451583e+02 9 -1.21994094e+01 -1.03289512e+02 -8.10524742e+01 10 -5.91723756e+01 7.08368521e+01 -1.71459597e+01 11 5.50282129e+01 1.85134635e+01 4.01255902e+01 12 1.77018495e+01 1.98205105e+01 6.04202636e+01 13 -1.20747683e+04 -8.49175631e+03 -2.74749396e+02 14 1.21550058e+04 8.41421216e+03 1.89243277e+02 15 2.62040375e+02 3.57568962e+02 -2.21182866e+01 16 -1.70361531e+01 3.21928430e+01 2.70088791e+01 17 -3.80904275e+03 4.17871911e+03 1.88199340e+03 18 3.65684128e+02 3.87292077e+02 6.78474124e+01 19 7.48588064e+03 -3.03700466e+03 1.04223996e+03 20 -3.75466136e+03 -1.28117012e+03 -3.45315932e+03 21 -3.37323226e+02 -9.89527725e+02 -1.94335387e+03 22 -1.68899004e+02 1.69991727e+02 -4.69256012e+01 23 -7.08657488e+02 1.34779951e+03 9.37503332e+02 24 1.04654690e+03 -3.50551900e+02 1.03085581e+03 25 -2.64050152e+04 2.80183499e+04 7.38484590e+03 26 -4.44045240e+01 2.12133116e+01 3.17655511e+01 27 3.97651470e+04 -1.21099950e+04 3.92298518e+04 28 -1.33315211e+04 -1.59847945e+04 -4.64341569e+04 29 3.13657367e+01 -2.95421246e+01 6.61981120e+00 30 3.17672307e+01 2.78232213e+01 -1.04096203e+02 31 -5.94377202e+00 -1.08598206e+02 3.93250254e+01 32 -2.86070777e+01 5.27764727e+01 5.07054735e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2262405== Memcheck, a memory error detector ==2262405== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2262405== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==2262405== Command: python runner2.py MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_002 ==2262405== ==2262405== Mismatched free() / delete / delete [] ==2262405== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2262405== by 0x14BE9441C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== by 0x14BD674EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== by 0x14BD68C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== by 0x14BD51DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== by 0x14BD5559E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== 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) ==2262405== 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) ==2262405== 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) ==2262405== 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) ==2262405== 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) ==2262405== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2262405== Address 0x14b075390 is 0 bytes inside a block of size 1,024 alloc'd ==2262405== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2262405== by 0x14BE93BA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== by 0x14BD674EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== by 0x14BD68C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== by 0x14BD51DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== by 0x14BD5559E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== 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) ==2262405== 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) ==2262405== 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) ==2262405== 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) ==2262405== 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) ==2262405== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2262405== ==2262405== Mismatched free() / delete / delete [] ==2262405== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2262405== by 0x14BE8EDDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== by 0x14BD6751A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== by 0x14BD68C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== by 0x14BD51DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== by 0x14BD5559E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== 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) ==2262405== 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) ==2262405== 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) ==2262405== 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) ==2262405== 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) ==2262405== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2262405== Address 0x14b076520 is 0 bytes inside a block of size 1,024 alloc'd ==2262405== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2262405== by 0x14BE8EBBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== by 0x14BD6751A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== by 0x14BD68C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== by 0x14BD51DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== by 0x14BD5559E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-d1546e3d-b963-4976-8236-8a91bd3697ba-007-91067647-a1ef-4118-9ef7-f5b0f3ddd817/VC_561022993723_004-and-MO_444394830472_002-1683684003/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2262405== 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) ==2262405== 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) ==2262405== 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) ==2262405== 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) ==2262405== 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) ==2262405== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2262405== ==2262405== Conditional jump or move depends on uninitialised value(s) ==2262405== at 0x699E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2262405== by 0x6A9AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2262405== by 0x6AA3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2262405== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==2262405== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==2262405== by 0x69B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2262405== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==2262405== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==2262405== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==2262405== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==2262405== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==2262405== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==2262405== ==2262405== ==2262405== HEAP SUMMARY: ==2262405== in use at exit: 2,273,287 bytes in 1,703 blocks ==2262405== total heap usage: 60,892 allocs, 59,189 frees, 87,638,907 bytes allocated ==2262405== ==2262405== LEAK SUMMARY: ==2262405== definitely lost: 0 bytes in 0 blocks ==2262405== indirectly lost: 0 bytes in 0 blocks ==2262405== possibly lost: 188,754 bytes in 107 blocks ==2262405== still reachable: 2,084,501 bytes in 1,595 blocks ==2262405== of which reachable via heuristic: ==2262405== stdstring : 38 bytes in 1 blocks ==2262405== suppressed: 32 bytes in 1 blocks ==2262405== Rerun with --leak-check=full to see details of leaked memory ==2262405== ==2262405== Use --track-origins=yes to see where uninitialised values come from ==2262405== For lists of detected and suppressed errors, rerun with: -s ==2262405== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 17932 from 605) ================================================================================ 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.