!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_HiremathMelinBitzek_2022_W__MO_943864507178_001 Supported species : W random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = W (Configuration in file "config-F-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 361.6922381060218 Forces: 1 4.40609379e+00 -2.69617898e+02 -2.20896638e+02 2 -2.22996547e+01 2.92833239e+01 -2.59090388e+01 3 1.69930691e+01 -3.37232692e+01 3.03773484e+00 4 -5.35300602e+01 2.64892917e+02 2.03096418e+02 5 -4.24135834e+01 -1.01726699e+02 -2.34952484e+01 6 8.60169304e+01 6.19048529e+01 -3.07924941e+01 7 5.53775818e+01 -1.38079469e+02 -1.44080246e+02 8 -5.59101951e+01 -3.46816629e+01 -6.55610961e+01 9 -5.44400709e+00 -5.20160096e+01 -6.17365152e+01 10 -1.40929555e+00 3.95753271e+01 -3.62223644e+01 11 3.35887309e+01 -9.37365465e+00 -7.35598675e+01 12 -4.30244786e+01 6.35738640e+01 4.27611348e+01 13 -9.94372482e+01 -6.93687430e+01 -2.38783155e+02 14 2.52663693e+01 2.52972712e+01 -2.24862403e+01 15 2.30080362e+02 -5.12127150e+01 9.37743212e+01 16 -5.88955207e+01 1.68927323e+02 8.15343941e+01 17 -6.77956268e+01 -1.22613530e+01 -4.11329005e+01 18 -2.34432035e+00 -1.36368122e+01 1.21944403e+01 19 4.64391996e+01 -2.93793043e+01 5.71397310e+01 20 -1.79132125e+01 9.37778424e+00 1.86330264e+01 21 -8.09568833e+01 -6.12849757e+01 8.33191246e+01 22 1.00939292e+02 8.10322244e+01 6.65371203e+01 23 3.32166040e+01 -1.43170812e+01 4.65286579e+01 24 -9.09952352e+00 4.76861851e+00 2.55060277e+01 25 -1.07231524e+02 -2.80740474e+00 4.82060209e+01 26 4.13451933e+00 6.37773176e+01 -3.31135563e+01 27 1.32531609e+02 -1.87028619e+02 4.67656441e+01 28 -1.87759653e+02 1.61572307e+02 2.27328697e+01 29 -1.26405476e+01 3.84310974e+01 8.91259896e+01 30 3.04975656e+01 3.81401444e+01 1.62949274e+01 31 4.18871849e+01 -1.62759450e+01 2.80339488e+01 32 2.67302223e+01 4.62372419e+01 3.25478289e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = W (Configuration in file "config-T-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 361.6922381060218 Forces: 1 4.40609379e+00 -2.69617898e+02 -2.20896638e+02 2 -2.22996547e+01 2.92833239e+01 -2.59090388e+01 3 1.69930691e+01 -3.37232692e+01 3.03773484e+00 4 -5.35300602e+01 2.64892917e+02 2.03096418e+02 5 -4.24135834e+01 -1.01726699e+02 -2.34952484e+01 6 8.60169304e+01 6.19048529e+01 -3.07924941e+01 7 5.53775818e+01 -1.38079469e+02 -1.44080246e+02 8 -5.59101951e+01 -3.46816629e+01 -6.55610961e+01 9 -5.44400709e+00 -5.20160096e+01 -6.17365152e+01 10 -1.40929555e+00 3.95753271e+01 -3.62223644e+01 11 3.35887309e+01 -9.37365465e+00 -7.35598675e+01 12 -4.30244786e+01 6.35738640e+01 4.27611348e+01 13 -9.94372482e+01 -6.93687430e+01 -2.38783155e+02 14 2.52663693e+01 2.52972712e+01 -2.24862403e+01 15 2.30080362e+02 -5.12127150e+01 9.37743212e+01 16 -5.88955207e+01 1.68927323e+02 8.15343941e+01 17 -6.77956268e+01 -1.22613530e+01 -4.11329005e+01 18 -2.34432035e+00 -1.36368122e+01 1.21944403e+01 19 4.64391996e+01 -2.93793043e+01 5.71397310e+01 20 -1.79132125e+01 9.37778424e+00 1.86330264e+01 21 -8.09568833e+01 -6.12849757e+01 8.33191246e+01 22 1.00939292e+02 8.10322244e+01 6.65371203e+01 23 3.32166040e+01 -1.43170812e+01 4.65286579e+01 24 -9.09952352e+00 4.76861851e+00 2.55060277e+01 25 -1.07231524e+02 -2.80740474e+00 4.82060209e+01 26 4.13451933e+00 6.37773176e+01 -3.31135563e+01 27 1.32531609e+02 -1.87028619e+02 4.67656441e+01 28 -1.87759653e+02 1.61572307e+02 2.27328697e+01 29 -1.26405476e+01 3.84310974e+01 8.91259896e+01 30 3.04975656e+01 3.81401444e+01 1.62949274e+01 31 4.18871849e+01 -1.62759450e+01 2.80339488e+01 32 2.67302223e+01 4.62372419e+01 3.25478289e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==275349== Memcheck, a memory error detector ==275349== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==275349== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==275349== Command: python runner2.py MEAM_LAMMPS_HiremathMelinBitzek_2022_W__MO_943864507178_001 ==275349== ==275349== Mismatched free() / delete / delete [] ==275349== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==275349== by 0x11C68841C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== by 0x11C55B4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== 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) ==275349== 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) ==275349== 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) ==275349== 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) ==275349== 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) ==275349== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==275349== Address 0x911701b0 is 0 bytes inside a block of size 1,024 alloc'd ==275349== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==275349== by 0x11C687BA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== by 0x11C55B4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== 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) ==275349== 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) ==275349== 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) ==275349== 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) ==275349== 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) ==275349== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==275349== ==275349== Mismatched free() / delete / delete [] ==275349== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==275349== by 0x11C682DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== by 0x11C55B51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== 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) ==275349== 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) ==275349== 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) ==275349== 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) ==275349== 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) ==275349== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==275349== Address 0x91171340 is 0 bytes inside a block of size 1,024 alloc'd ==275349== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==275349== by 0x11C682BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== by 0x11C55B51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-3775c9a3-0bf6-4d76-88cc-1e24844782f4-007-c3dee8c7-d138-498d-9fa2-291ac4a78fbb/VC_561022993723_004-and-MO_943864507178_001-1683686546/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==275349== 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) ==275349== 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) ==275349== 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) ==275349== 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) ==275349== 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) ==275349== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==275349== ==275349== Conditional jump or move depends on uninitialised value(s) ==275349== at 0x659E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==275349== by 0x669AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==275349== by 0x66A3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==275349== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==275349== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==275349== by 0x65B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==275349== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==275349== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==275349== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==275349== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==275349== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==275349== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==275349== ==275349== ==275349== HEAP SUMMARY: ==275349== in use at exit: 2,273,255 bytes in 1,703 blocks ==275349== total heap usage: 60,743 allocs, 59,040 frees, 139,699,595 bytes allocated ==275349== ==275349== LEAK SUMMARY: ==275349== definitely lost: 0 bytes in 0 blocks ==275349== indirectly lost: 0 bytes in 0 blocks ==275349== possibly lost: 188,754 bytes in 107 blocks ==275349== still reachable: 2,084,469 bytes in 1,595 blocks ==275349== of which reachable via heuristic: ==275349== stdstring : 38 bytes in 1 blocks ==275349== suppressed: 32 bytes in 1 blocks ==275349== Rerun with --leak-check=full to see details of leaked memory ==275349== ==275349== Use --track-origins=yes to see where uninitialised values come from ==275349== For lists of detected and suppressed errors, rerun with: -s ==275349== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 16860 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.