!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimShinLee_2008_Ge__MO_657096500078_001 Supported species : Ge random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ge (Configuration in file "config-F-Ge.xyz") ----------------------------------------------------------------------------------------------------- Energy = 317.8398060501431 Forces: 1 1.52683686e+01 1.15023439e+01 1.58913924e+01 2 1.55638235e+01 -1.95563581e+01 -4.57306384e+01 3 -3.44414691e+01 -5.21870185e+01 1.68305269e+01 4 -7.52260855e+01 1.49910791e+01 -3.46978278e+01 5 -6.46881509e+00 -5.15791643e+00 -1.24739721e+01 6 2.68918834e+01 -1.61101137e+01 -3.33625227e+01 7 -1.60096961e+01 5.89180325e+01 8.79876839e+01 8 -1.47560653e+01 -4.93596711e+01 4.77976850e+00 9 -1.65584016e+01 8.45166795e+00 -3.72758748e+00 10 3.31341618e+01 3.65226016e+01 1.70901528e+01 11 -4.36991893e+01 -4.23535312e+01 -1.72585896e+01 12 -3.38811632e+01 1.96206284e+01 4.64345369e+00 13 5.95568415e+01 1.01844043e+01 -6.80543826e+01 14 3.77771070e+01 1.15253022e+01 -3.37182292e+01 15 1.49942635e+01 1.97373600e+00 -1.63631143e+01 16 -8.94905556e+01 8.05806550e+01 -1.03763853e+01 17 -2.49362869e+00 -4.59298702e+01 -1.66656334e+01 18 2.77843249e+01 2.24700970e+01 -1.23639058e+01 19 -6.58992102e+00 -3.25165959e+01 2.88561243e+01 20 -2.03814683e+01 8.50772646e+00 2.40290689e+01 21 -8.76583552e+00 -5.29522051e+01 -2.90517356e+01 22 8.44576419e+01 -1.20746723e+01 -1.34601774e+01 23 7.65814036e+00 -1.05389324e+01 1.16918323e+01 24 1.08010659e+01 -5.41577116e-01 2.55068584e+01 25 -2.97090494e+01 3.19031637e+01 1.58897283e-01 26 1.95053960e+01 2.67873952e+01 -2.97904771e+01 27 2.03935664e+01 5.70170706e+00 8.26823642e+01 28 -1.84923108e+01 -8.47567333e+00 -5.69513088e+00 29 1.52521381e+01 -2.34497924e+01 7.85516035e+00 30 4.54515852e+01 8.68000220e+00 1.04316868e+01 31 1.59609731e+01 2.11797948e+00 1.72310627e+01 32 -3.34876266e+01 1.07654057e+01 2.71242763e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ge (Configuration in file "config-T-Ge.xyz") ----------------------------------------------------------------------------------------------------- Energy = 317.8398060501431 Forces: 1 1.52683686e+01 1.15023439e+01 1.58913924e+01 2 1.55638235e+01 -1.95563581e+01 -4.57306384e+01 3 -3.44414691e+01 -5.21870185e+01 1.68305269e+01 4 -7.52260855e+01 1.49910791e+01 -3.46978278e+01 5 -6.46881509e+00 -5.15791643e+00 -1.24739721e+01 6 2.68918834e+01 -1.61101137e+01 -3.33625227e+01 7 -1.60096961e+01 5.89180325e+01 8.79876839e+01 8 -1.47560653e+01 -4.93596711e+01 4.77976850e+00 9 -1.65584016e+01 8.45166795e+00 -3.72758748e+00 10 3.31341618e+01 3.65226016e+01 1.70901528e+01 11 -4.36991893e+01 -4.23535312e+01 -1.72585896e+01 12 -3.38811632e+01 1.96206284e+01 4.64345369e+00 13 5.95568415e+01 1.01844043e+01 -6.80543826e+01 14 3.77771070e+01 1.15253022e+01 -3.37182292e+01 15 1.49942635e+01 1.97373600e+00 -1.63631143e+01 16 -8.94905556e+01 8.05806550e+01 -1.03763853e+01 17 -2.49362869e+00 -4.59298702e+01 -1.66656334e+01 18 2.77843249e+01 2.24700970e+01 -1.23639058e+01 19 -6.58992102e+00 -3.25165959e+01 2.88561243e+01 20 -2.03814683e+01 8.50772646e+00 2.40290689e+01 21 -8.76583552e+00 -5.29522051e+01 -2.90517356e+01 22 8.44576419e+01 -1.20746723e+01 -1.34601774e+01 23 7.65814036e+00 -1.05389324e+01 1.16918323e+01 24 1.08010659e+01 -5.41577116e-01 2.55068584e+01 25 -2.97090494e+01 3.19031637e+01 1.58897283e-01 26 1.95053960e+01 2.67873952e+01 -2.97904771e+01 27 2.03935664e+01 5.70170706e+00 8.26823642e+01 28 -1.84923108e+01 -8.47567333e+00 -5.69513088e+00 29 1.52521381e+01 -2.34497924e+01 7.85516035e+00 30 4.54515852e+01 8.68000220e+00 1.04316868e+01 31 1.59609731e+01 2.11797948e+00 1.72310627e+01 32 -3.34876266e+01 1.07654057e+01 2.71242763e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==4055964== Memcheck, a memory error detector ==4055964== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==4055964== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==4055964== Command: python runner2.py MEAM_LAMMPS_KimShinLee_2008_Ge__MO_657096500078_001 ==4055964== ==4055964== Mismatched free() / delete / delete [] ==4055964== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==4055964== by 0x14BE9341C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== by 0x14BD664EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== by 0x14BD67C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== by 0x14BD50DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== by 0x14BD5459E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== 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) ==4055964== 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) ==4055964== 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) ==4055964== 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) ==4055964== 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) ==4055964== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==4055964== Address 0x14b075200 is 0 bytes inside a block of size 1,024 alloc'd ==4055964== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==4055964== by 0x14BE92BA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== by 0x14BD664EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== by 0x14BD67C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== by 0x14BD50DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== by 0x14BD5459E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== 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) ==4055964== 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) ==4055964== 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) ==4055964== 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) ==4055964== 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) ==4055964== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==4055964== ==4055964== Mismatched free() / delete / delete [] ==4055964== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==4055964== by 0x14BE8DDDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== by 0x14BD6651A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== by 0x14BD67C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== by 0x14BD50DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== by 0x14BD5459E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== 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) ==4055964== 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) ==4055964== 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) ==4055964== 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) ==4055964== 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) ==4055964== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==4055964== Address 0x14b0762a0 is 0 bytes inside a block of size 1,024 alloc'd ==4055964== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==4055964== by 0x14BE8DBBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== by 0x14BD6651A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== by 0x14BD67C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== by 0x14BD50DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== by 0x14BD5459E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-5364d380-82ea-482e-922e-2dd6b630bffc-007-93430d50-b61f-48b3-953f-14a44f8079a6/VC_561022993723_004-and-MO_657096500078_001-1683688668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==4055964== 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) ==4055964== 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) ==4055964== 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) ==4055964== 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) ==4055964== 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) ==4055964== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==4055964== ==4055964== Conditional jump or move depends on uninitialised value(s) ==4055964== at 0x699E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==4055964== by 0x6A9AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==4055964== by 0x6AA3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==4055964== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==4055964== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==4055964== by 0x69B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==4055964== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==4055964== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==4055964== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==4055964== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==4055964== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==4055964== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==4055964== ==4055964== ==4055964== HEAP SUMMARY: ==4055964== in use at exit: 2,273,255 bytes in 1,703 blocks ==4055964== total heap usage: 60,742 allocs, 59,039 frees, 87,625,171 bytes allocated ==4055964== ==4055964== LEAK SUMMARY: ==4055964== definitely lost: 0 bytes in 0 blocks ==4055964== indirectly lost: 0 bytes in 0 blocks ==4055964== possibly lost: 188,754 bytes in 107 blocks ==4055964== still reachable: 2,084,469 bytes in 1,595 blocks ==4055964== of which reachable via heuristic: ==4055964== stdstring : 38 bytes in 1 blocks ==4055964== suppressed: 32 bytes in 1 blocks ==4055964== Rerun with --leak-check=full to see details of leaked memory ==4055964== ==4055964== Use --track-origins=yes to see where uninitialised values come from ==4055964== For lists of detected and suppressed errors, rerun with: -s ==4055964== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 17957 from 615) ================================================================================ 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.