!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AsadiZaeemNouranian_2015_Fe__MO_492310898779_002 Supported species : Fe random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -26.93808764483421 Forces: 1 -3.68597983e+00 -4.34418940e+00 -6.00393166e+00 2 -5.16459007e+00 7.04650369e+00 -4.97458520e+00 3 2.17870483e+00 -3.72053825e+00 4.53270684e+00 4 -3.09467576e+00 3.28012404e+00 3.20863826e+00 5 5.74964652e+00 -9.51753243e+00 -3.11109203e+00 6 4.68582527e+00 -2.67230293e+00 -6.73285277e+00 7 6.05121546e+00 -1.70313680e+01 -1.85082657e+01 8 -2.00334348e+01 -1.38285150e+01 1.86908969e+00 9 -5.31267761e+00 -3.10929586e+00 -7.91249988e+00 10 -3.91508683e+00 1.02239715e+01 -1.10175801e+01 11 -4.88943600e+00 -7.48940151e+00 4.10928188e+00 12 -4.69362641e+00 6.18383097e+00 9.81811540e-01 13 -5.13315057e+00 -1.24696216e+00 -2.47177511e+01 14 3.69768023e+00 3.97682225e+00 -1.62856261e+00 15 3.05837392e+01 9.94716795e+00 7.39400744e+00 16 5.05429532e+00 1.63421871e+01 7.89758856e+00 17 -6.41678543e+00 -4.33397685e+00 -3.79425550e+00 18 2.99433247e+00 5.65568484e+00 -6.14063935e+00 19 3.76828519e+00 -7.94587490e+00 6.45117937e+00 20 -4.28826337e+00 3.90840644e+00 5.04529798e+00 21 -1.06726727e+01 -6.55944288e+00 7.31310366e+00 22 1.26243938e+01 9.69147268e+00 1.13603945e+01 23 3.57605545e+00 -4.84228204e-01 5.89597933e+00 24 3.22013174e-01 -2.42567898e+00 3.77440187e+00 25 -7.00289040e+00 -4.37295890e+00 9.17088950e-01 26 -3.57439078e+00 1.11968305e+01 -4.65963987e+00 27 1.29201714e+01 -2.23480802e+01 7.47191593e+00 28 -2.15217626e+01 1.90807860e+01 3.47540336e+00 29 -3.41699523e+00 -4.88937224e+00 3.79575783e+00 30 3.99577342e+00 6.10187786e+00 -1.09945937e+00 31 9.58183986e+00 -4.01486704e+00 6.46536163e+00 32 5.03244683e+00 7.69892002e+00 8.34210647e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -26.93808764483421 Forces: 1 -3.68597983e+00 -4.34418940e+00 -6.00393166e+00 2 -5.16459007e+00 7.04650369e+00 -4.97458520e+00 3 2.17870483e+00 -3.72053825e+00 4.53270684e+00 4 -3.09467576e+00 3.28012404e+00 3.20863826e+00 5 5.74964652e+00 -9.51753243e+00 -3.11109203e+00 6 4.68582527e+00 -2.67230293e+00 -6.73285277e+00 7 6.05121546e+00 -1.70313680e+01 -1.85082657e+01 8 -2.00334348e+01 -1.38285150e+01 1.86908969e+00 9 -5.31267761e+00 -3.10929586e+00 -7.91249988e+00 10 -3.91508683e+00 1.02239715e+01 -1.10175801e+01 11 -4.88943600e+00 -7.48940151e+00 4.10928188e+00 12 -4.69362641e+00 6.18383097e+00 9.81811540e-01 13 -5.13315057e+00 -1.24696216e+00 -2.47177511e+01 14 3.69768023e+00 3.97682225e+00 -1.62856261e+00 15 3.05837392e+01 9.94716795e+00 7.39400744e+00 16 5.05429532e+00 1.63421871e+01 7.89758856e+00 17 -6.41678543e+00 -4.33397685e+00 -3.79425550e+00 18 2.99433247e+00 5.65568484e+00 -6.14063935e+00 19 3.76828519e+00 -7.94587490e+00 6.45117937e+00 20 -4.28826337e+00 3.90840644e+00 5.04529798e+00 21 -1.06726727e+01 -6.55944288e+00 7.31310366e+00 22 1.26243938e+01 9.69147268e+00 1.13603945e+01 23 3.57605545e+00 -4.84228204e-01 5.89597933e+00 24 3.22013174e-01 -2.42567898e+00 3.77440187e+00 25 -7.00289040e+00 -4.37295890e+00 9.17088950e-01 26 -3.57439078e+00 1.11968305e+01 -4.65963987e+00 27 1.29201714e+01 -2.23480802e+01 7.47191593e+00 28 -2.15217626e+01 1.90807860e+01 3.47540336e+00 29 -3.41699523e+00 -4.88937224e+00 3.79575783e+00 30 3.99577342e+00 6.10187786e+00 -1.09945937e+00 31 9.58183986e+00 -4.01486704e+00 6.46536163e+00 32 5.03244683e+00 7.69892002e+00 8.34210647e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==101402== Memcheck, a memory error detector ==101402== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==101402== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==101402== Command: python runner2.py MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_002 ==101402== ==101402== Mismatched free() / delete / delete [] ==101402== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==101402== by 0x11C68841C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== by 0x11C55B4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== 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) ==101402== 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) ==101402== 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) ==101402== 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) ==101402== 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) ==101402== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==101402== Address 0x914249f0 is 0 bytes inside a block of size 1,024 alloc'd ==101402== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==101402== by 0x11C687BA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== by 0x11C55B4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== 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) ==101402== 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) ==101402== 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) ==101402== 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) ==101402== 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) ==101402== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==101402== ==101402== Mismatched free() / delete / delete [] ==101402== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==101402== by 0x11C682DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== by 0x11C55B51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== 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) ==101402== 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) ==101402== 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) ==101402== 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) ==101402== 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) ==101402== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==101402== Address 0x91425b80 is 0 bytes inside a block of size 1,024 alloc'd ==101402== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==101402== by 0x11C682BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== by 0x11C55B51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-0764cac7-89c8-4a07-b562-63b0e458d407-007-4ad71e8c-245c-4e4b-83f0-ff897869c79c/VC_561022993723_004-and-MO_492310898779_002-1683666466/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==101402== 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) ==101402== 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) ==101402== 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) ==101402== 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) ==101402== 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) ==101402== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==101402== ==101402== Conditional jump or move depends on uninitialised value(s) ==101402== at 0x659E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==101402== by 0x669AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==101402== by 0x66A3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==101402== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==101402== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==101402== by 0x65B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==101402== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==101402== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==101402== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==101402== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==101402== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==101402== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==101402== ==101402== ==101402== HEAP SUMMARY: ==101402== in use at exit: 2,273,255 bytes in 1,703 blocks ==101402== total heap usage: 60,743 allocs, 59,040 frees, 139,696,349 bytes allocated ==101402== ==101402== LEAK SUMMARY: ==101402== definitely lost: 0 bytes in 0 blocks ==101402== indirectly lost: 0 bytes in 0 blocks ==101402== possibly lost: 188,754 bytes in 107 blocks ==101402== still reachable: 2,084,469 bytes in 1,595 blocks ==101402== of which reachable via heuristic: ==101402== stdstring : 38 bytes in 1 blocks ==101402== suppressed: 32 bytes in 1 blocks ==101402== Rerun with --leak-check=full to see details of leaked memory ==101402== ==101402== Use --track-origins=yes to see where uninitialised values come from ==101402== For lists of detected and suppressed errors, rerun with: -s ==101402== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 16857 from 599) ================================================================================ 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.