!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_PascuetFernandez_2015_Al__MO_315820974149_002 Supported species : Al random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 383.16074422614736 Forces: 1 -1.53036907e+01 -2.28798524e+01 -2.71147793e+01 2 -2.32863979e+01 4.81453067e+01 -3.53368238e+01 3 1.63895170e+01 -3.40738725e+01 -2.73443755e+00 4 -1.90844499e+01 2.16960216e+01 1.24545331e+01 5 1.72582189e+01 -5.54347240e+01 -1.09283977e+00 6 2.04723188e+01 -1.53006099e+00 -2.44975929e+01 7 8.69681987e+00 -4.13246946e+01 -4.10573684e+01 8 -3.25503888e+01 -2.18866678e+01 5.63992003e+00 9 -1.30048090e+01 -1.74438581e+01 -4.22000428e+01 10 -2.83941366e+01 8.09128023e+01 -9.78573587e+01 11 -6.55213087e+00 -7.65803167e+01 1.51033594e+01 12 -3.79151677e+01 5.15310838e+01 -5.18212359e-01 13 1.55550717e+00 -2.41464550e+01 -8.51919723e+01 14 2.56179129e+01 2.41740778e+01 -2.10175017e+01 15 9.27448181e+01 -1.49795197e+01 2.55712173e+01 16 -1.41034548e+01 5.54435297e+01 6.54229782e+01 17 -4.56692060e+01 -2.82906130e+01 -1.77873653e+01 18 2.03887349e+01 4.16035358e+01 -1.63548807e+01 19 2.74752381e+01 -4.16044657e+01 3.17029764e+01 20 -2.63848103e+01 2.95454440e+01 2.93809519e+01 21 -4.70475854e+01 -3.87721040e+01 2.69427602e+01 22 6.47911769e+01 4.59854689e+01 2.53256905e+01 23 1.37015126e+01 -6.08592978e+00 2.23534686e+01 24 5.82954695e+00 7.90639920e+00 1.73367061e+01 25 -3.40723828e+01 -2.26977093e+01 2.57482535e+01 26 1.17773017e+00 5.61583158e+01 -2.75020030e+01 27 1.87861340e+01 -7.37777616e+01 3.03194174e+01 28 -7.14011496e+01 4.82915327e+01 2.13566187e+01 29 -1.24653997e+01 -3.67765078e+01 5.46205077e+00 30 3.22110779e+01 3.61457397e+01 -1.66426677e+00 31 3.84815373e+01 -2.32336859e+01 3.42941312e+01 32 2.16573584e+01 3.39795409e+01 4.75124122e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 383.16074422614736 Forces: 1 -1.53036907e+01 -2.28798524e+01 -2.71147793e+01 2 -2.32863979e+01 4.81453067e+01 -3.53368238e+01 3 1.63895170e+01 -3.40738725e+01 -2.73443755e+00 4 -1.90844499e+01 2.16960216e+01 1.24545331e+01 5 1.72582189e+01 -5.54347240e+01 -1.09283977e+00 6 2.04723188e+01 -1.53006099e+00 -2.44975929e+01 7 8.69681987e+00 -4.13246946e+01 -4.10573684e+01 8 -3.25503888e+01 -2.18866678e+01 5.63992003e+00 9 -1.30048090e+01 -1.74438581e+01 -4.22000428e+01 10 -2.83941366e+01 8.09128023e+01 -9.78573587e+01 11 -6.55213087e+00 -7.65803167e+01 1.51033594e+01 12 -3.79151677e+01 5.15310838e+01 -5.18212359e-01 13 1.55550717e+00 -2.41464550e+01 -8.51919723e+01 14 2.56179129e+01 2.41740778e+01 -2.10175017e+01 15 9.27448181e+01 -1.49795197e+01 2.55712173e+01 16 -1.41034548e+01 5.54435297e+01 6.54229782e+01 17 -4.56692060e+01 -2.82906130e+01 -1.77873653e+01 18 2.03887349e+01 4.16035358e+01 -1.63548807e+01 19 2.74752381e+01 -4.16044657e+01 3.17029764e+01 20 -2.63848103e+01 2.95454440e+01 2.93809519e+01 21 -4.70475854e+01 -3.87721040e+01 2.69427602e+01 22 6.47911769e+01 4.59854689e+01 2.53256905e+01 23 1.37015126e+01 -6.08592978e+00 2.23534686e+01 24 5.82954695e+00 7.90639920e+00 1.73367061e+01 25 -3.40723828e+01 -2.26977093e+01 2.57482535e+01 26 1.17773017e+00 5.61583158e+01 -2.75020030e+01 27 1.87861340e+01 -7.37777616e+01 3.03194174e+01 28 -7.14011496e+01 4.82915327e+01 2.13566187e+01 29 -1.24653997e+01 -3.67765078e+01 5.46205077e+00 30 3.22110779e+01 3.61457397e+01 -1.66426677e+00 31 3.84815373e+01 -2.32336859e+01 3.42941312e+01 32 2.16573584e+01 3.39795409e+01 4.75124122e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==183756== Memcheck, a memory error detector ==183756== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==183756== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==183756== Command: python runner2.py MEAM_LAMMPS_PascuetFernandez_2015_Al__MO_315820974149_002 ==183756== ==183756== Mismatched free() / delete / delete [] ==183756== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==183756== by 0x11C68841C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== by 0x11C55B4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== 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) ==183756== 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) ==183756== 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) ==183756== 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) ==183756== 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) ==183756== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==183756== Address 0x90ef4d40 is 0 bytes inside a block of size 1,024 alloc'd ==183756== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==183756== by 0x11C687BA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== by 0x11C55B4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== 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) ==183756== 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) ==183756== 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) ==183756== 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) ==183756== 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) ==183756== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==183756== ==183756== Mismatched free() / delete / delete [] ==183756== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==183756== by 0x11C682DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== by 0x11C55B51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== 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) ==183756== 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) ==183756== 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) ==183756== 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) ==183756== 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) ==183756== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==183756== Address 0x90ef5ed0 is 0 bytes inside a block of size 1,024 alloc'd ==183756== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==183756== by 0x11C682BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== by 0x11C55B51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-90f48b49-9c41-4510-a945-98cf3d6e9c0b-007-aac242ca-5840-4fdc-b0b0-5e8091ab94a6/VC_561022993723_004-and-MO_315820974149_002-1683681696/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==183756== 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) ==183756== 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) ==183756== 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) ==183756== 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) ==183756== 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) ==183756== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==183756== ==183756== Conditional jump or move depends on uninitialised value(s) ==183756== at 0x659E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==183756== by 0x669AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==183756== by 0x66A3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==183756== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==183756== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==183756== by 0x65B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==183756== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==183756== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==183756== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==183756== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==183756== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==183756== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==183756== ==183756== ==183756== HEAP SUMMARY: ==183756== in use at exit: 2,273,255 bytes in 1,703 blocks ==183756== total heap usage: 60,743 allocs, 59,040 frees, 139,697,935 bytes allocated ==183756== ==183756== LEAK SUMMARY: ==183756== definitely lost: 0 bytes in 0 blocks ==183756== indirectly lost: 0 bytes in 0 blocks ==183756== possibly lost: 188,754 bytes in 107 blocks ==183756== still reachable: 2,084,469 bytes in 1,595 blocks ==183756== of which reachable via heuristic: ==183756== stdstring : 38 bytes in 1 blocks ==183756== suppressed: 32 bytes in 1 blocks ==183756== Rerun with --leak-check=full to see details of leaked memory ==183756== ==183756== Use --track-origins=yes to see where uninitialised values come from ==183756== For lists of detected and suppressed errors, rerun with: -s ==183756== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 16878 from 582) ================================================================================ 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.