!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_EtesamiAsadi_2018_Cu__MO_227887284491_002 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 21.253917459940425 Forces: 1 -1.28398314e+01 -2.10924449e+01 -3.81906833e+01 2 -4.62221344e+00 8.10185107e+00 -5.64392257e+00 3 3.64591103e+01 -2.53876097e+01 2.03146991e+01 4 -2.75306255e+01 4.38428334e+01 1.75328255e+01 5 3.38095608e+00 -1.23180790e+01 -4.83219492e-01 6 4.13013567e+00 4.33455766e+00 -3.96251546e+00 7 -2.11099335e+00 -6.15411347e+01 -5.99732071e+01 8 -7.43492879e+00 -2.42436161e+01 -7.43941720e+00 9 -1.10235922e+00 -2.01374710e+01 -1.96158927e+01 10 -6.74639264e+00 1.30012953e+01 -1.74818777e+01 11 -8.41865907e+00 -1.34612933e+01 1.01804364e+00 12 -9.92266568e+00 2.01019529e+01 1.83469540e+01 13 -1.25397216e+01 -1.09092744e+01 -4.52969305e+01 14 4.67564012e+00 7.56360595e+00 -5.26182870e+00 15 4.25824887e+01 -1.40286166e+01 9.76492831e+00 16 5.02080113e+00 2.98707881e+01 1.23928298e+01 17 -1.13504372e+01 -5.08040474e+00 -6.92692433e+00 18 -8.94711771e+00 5.60288939e+00 -2.10453772e+01 19 8.29579125e+00 -1.33807686e+01 8.75370262e+00 20 -7.10290383e+00 1.01467924e+01 5.70823376e+00 21 -6.89582142e+00 -8.47985589e+00 -2.46971017e+00 22 1.59726715e+01 6.17677225e+01 5.72993633e+01 23 3.63831904e+00 -1.05575165e+00 5.93627628e+00 24 1.36804984e+01 3.76220888e+00 2.02859500e+01 25 -3.97931880e+00 6.03931666e-01 5.43682955e+00 26 -3.79836758e+00 9.01844997e+00 -8.83282993e+00 27 3.79556168e+01 -5.06204880e+01 5.78254480e+00 28 -4.88891985e+01 4.20290185e+01 3.67231601e+00 29 -8.37300734e+00 2.48154066e+00 3.10894303e+01 30 6.27012374e+00 1.27884624e+01 1.01716471e+01 31 5.62635809e+00 -4.29622356e+00 3.43529732e-01 32 4.91605217e+00 1.10151316e+01 8.77423243e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 21.253917459940425 Forces: 1 -1.28398314e+01 -2.10924449e+01 -3.81906833e+01 2 -4.62221344e+00 8.10185107e+00 -5.64392257e+00 3 3.64591103e+01 -2.53876097e+01 2.03146991e+01 4 -2.75306255e+01 4.38428334e+01 1.75328255e+01 5 3.38095608e+00 -1.23180790e+01 -4.83219492e-01 6 4.13013567e+00 4.33455766e+00 -3.96251546e+00 7 -2.11099335e+00 -6.15411347e+01 -5.99732071e+01 8 -7.43492879e+00 -2.42436161e+01 -7.43941720e+00 9 -1.10235922e+00 -2.01374710e+01 -1.96158927e+01 10 -6.74639264e+00 1.30012953e+01 -1.74818777e+01 11 -8.41865907e+00 -1.34612933e+01 1.01804364e+00 12 -9.92266568e+00 2.01019529e+01 1.83469540e+01 13 -1.25397216e+01 -1.09092744e+01 -4.52969305e+01 14 4.67564012e+00 7.56360595e+00 -5.26182870e+00 15 4.25824887e+01 -1.40286166e+01 9.76492831e+00 16 5.02080113e+00 2.98707881e+01 1.23928298e+01 17 -1.13504372e+01 -5.08040474e+00 -6.92692433e+00 18 -8.94711771e+00 5.60288939e+00 -2.10453772e+01 19 8.29579125e+00 -1.33807686e+01 8.75370262e+00 20 -7.10290383e+00 1.01467924e+01 5.70823376e+00 21 -6.89582142e+00 -8.47985589e+00 -2.46971017e+00 22 1.59726715e+01 6.17677225e+01 5.72993633e+01 23 3.63831904e+00 -1.05575165e+00 5.93627628e+00 24 1.36804984e+01 3.76220888e+00 2.02859500e+01 25 -3.97931880e+00 6.03931666e-01 5.43682955e+00 26 -3.79836758e+00 9.01844997e+00 -8.83282993e+00 27 3.79556168e+01 -5.06204880e+01 5.78254480e+00 28 -4.88891985e+01 4.20290185e+01 3.67231601e+00 29 -8.37300734e+00 2.48154066e+00 3.10894303e+01 30 6.27012374e+00 1.27884624e+01 1.01716471e+01 31 5.62635809e+00 -4.29622356e+00 3.43529732e-01 32 4.91605217e+00 1.10151316e+01 8.77423243e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==3344761== Memcheck, a memory error detector ==3344761== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==3344761== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==3344761== Command: python runner2.py MEAM_LAMMPS_EtesamiAsadi_2018_Cu__MO_227887284491_002 ==3344761== ==3344761== Mismatched free() / delete / delete [] ==3344761== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==3344761== by 0x14BE8C41C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== 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) ==3344761== 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) ==3344761== 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) ==3344761== 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) ==3344761== 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) ==3344761== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==3344761== Address 0x14b075370 is 0 bytes inside a block of size 1,024 alloc'd ==3344761== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==3344761== by 0x14BE8BBA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== 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) ==3344761== 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) ==3344761== 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) ==3344761== 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) ==3344761== 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) ==3344761== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==3344761== ==3344761== Mismatched free() / delete / delete [] ==3344761== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==3344761== by 0x14BE86DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== 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) ==3344761== 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) ==3344761== 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) ==3344761== 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) ==3344761== 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) ==3344761== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==3344761== Address 0x14b076140 is 0 bytes inside a block of size 1,024 alloc'd ==3344761== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==3344761== by 0x14BE86BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-fca0d6c4-9f20-45e7-8152-e3d4cdee8bd5-007-d8be3342-ee0d-4313-9259-74ca4ba4939b/VC_561022993723_004-and-MO_227887284491_002-1683668562/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3344761== 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) ==3344761== 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) ==3344761== 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) ==3344761== 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) ==3344761== 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) ==3344761== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==3344761== ==3344761== Conditional jump or move depends on uninitialised value(s) ==3344761== at 0x699E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==3344761== by 0x6A9AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==3344761== by 0x6AA3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==3344761== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==3344761== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==3344761== by 0x69B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==3344761== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==3344761== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==3344761== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==3344761== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==3344761== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==3344761== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==3344761== ==3344761== ==3344761== HEAP SUMMARY: ==3344761== in use at exit: 2,273,255 bytes in 1,703 blocks ==3344761== total heap usage: 60,774 allocs, 59,071 frees, 87,626,020 bytes allocated ==3344761== ==3344761== LEAK SUMMARY: ==3344761== definitely lost: 0 bytes in 0 blocks ==3344761== indirectly lost: 0 bytes in 0 blocks ==3344761== possibly lost: 188,754 bytes in 107 blocks ==3344761== still reachable: 2,084,469 bytes in 1,595 blocks ==3344761== of which reachable via heuristic: ==3344761== stdstring : 38 bytes in 1 blocks ==3344761== suppressed: 32 bytes in 1 blocks ==3344761== Rerun with --leak-check=full to see details of leaked memory ==3344761== ==3344761== Use --track-origins=yes to see where uninitialised values come from ==3344761== For lists of detected and suppressed errors, rerun with: -s ==3344761== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 17862 from 603) ================================================================================ 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.