!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_DoShinLee_2008_In__MO_439532348190_001 Supported species : In random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = In (Configuration in file "config-F-In.xyz") ----------------------------------------------------------------------------------------------------- Energy = 455.4601229315499 Forces: 1 -6.19710930e+00 -2.37837167e+01 -2.90629908e+01 2 2.20850664e+01 -2.68811883e+00 -3.27864761e+01 3 1.11682472e+01 -2.29625107e+01 1.13322734e+01 4 -4.81594941e+01 2.24954797e+01 2.97543252e+01 5 -1.22223132e+01 -3.61098318e+01 -1.29620426e+01 6 3.32409234e+01 1.42693832e+01 -2.24935192e+01 7 -1.57695479e+01 -1.80540389e+01 1.27091774e+00 8 -6.85056968e+00 -3.08981059e+01 2.01225310e+01 9 -3.02587212e+01 -2.85059183e+01 -4.06125305e+01 10 1.97855705e+01 5.38658636e+01 -2.45622256e+01 11 -9.10152700e+00 -4.32874884e+01 -3.44210442e+00 12 -5.65609858e+01 4.81111786e+01 2.24821108e+01 13 2.25771103e+01 2.95210838e+01 -4.86859126e+01 14 2.49362362e+01 2.22403854e+01 -2.00777611e+01 15 7.25198855e+01 -5.55779553e+01 -2.83564500e+00 16 -6.24235461e+01 4.50280615e+01 -1.38646759e+01 17 -3.74456435e+01 -2.27659571e+01 -2.27971656e+01 18 2.26436433e+01 2.09987226e+01 -2.54666187e+01 19 1.66132865e+01 -3.19540190e+01 2.98650958e+01 20 -2.84151280e+01 2.16672385e+01 3.72529179e+01 21 -4.44251105e+01 -6.51914329e+01 -1.11848649e+01 22 8.40751498e+01 5.66324621e+01 6.84620593e+00 23 1.92491439e+01 -1.18481443e+01 2.14060315e+01 24 -4.05531132e+00 1.52120441e+01 1.91522020e+01 25 -2.24407631e+01 -1.45814394e+01 -1.25621446e+01 26 1.10236982e+00 4.68887657e+01 -6.01435096e-01 27 4.03367591e+01 -7.91991364e+01 2.44591204e+01 28 -6.20413158e+01 7.08049436e+01 1.95273906e+01 29 -1.57979664e+00 -4.22126481e+01 2.25477223e+01 30 4.43709028e+01 4.36825082e+01 1.36254545e+00 31 3.77833320e+00 -1.76401400e+01 3.42388058e+00 32 9.46425512e+00 3.58424813e+01 5.31928421e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = In (Configuration in file "config-T-In.xyz") ----------------------------------------------------------------------------------------------------- Energy = 455.4601229315499 Forces: 1 -6.19710930e+00 -2.37837167e+01 -2.90629908e+01 2 2.20850664e+01 -2.68811883e+00 -3.27864761e+01 3 1.11682472e+01 -2.29625107e+01 1.13322734e+01 4 -4.81594941e+01 2.24954797e+01 2.97543252e+01 5 -1.22223132e+01 -3.61098318e+01 -1.29620426e+01 6 3.32409234e+01 1.42693832e+01 -2.24935192e+01 7 -1.57695479e+01 -1.80540389e+01 1.27091774e+00 8 -6.85056968e+00 -3.08981059e+01 2.01225310e+01 9 -3.02587212e+01 -2.85059183e+01 -4.06125305e+01 10 1.97855705e+01 5.38658636e+01 -2.45622256e+01 11 -9.10152700e+00 -4.32874884e+01 -3.44210442e+00 12 -5.65609858e+01 4.81111786e+01 2.24821108e+01 13 2.25771103e+01 2.95210838e+01 -4.86859126e+01 14 2.49362362e+01 2.22403854e+01 -2.00777611e+01 15 7.25198855e+01 -5.55779553e+01 -2.83564500e+00 16 -6.24235461e+01 4.50280615e+01 -1.38646759e+01 17 -3.74456435e+01 -2.27659571e+01 -2.27971656e+01 18 2.26436433e+01 2.09987226e+01 -2.54666187e+01 19 1.66132865e+01 -3.19540190e+01 2.98650958e+01 20 -2.84151280e+01 2.16672385e+01 3.72529179e+01 21 -4.44251105e+01 -6.51914329e+01 -1.11848649e+01 22 8.40751498e+01 5.66324621e+01 6.84620593e+00 23 1.92491439e+01 -1.18481443e+01 2.14060315e+01 24 -4.05531132e+00 1.52120441e+01 1.91522020e+01 25 -2.24407631e+01 -1.45814394e+01 -1.25621446e+01 26 1.10236982e+00 4.68887657e+01 -6.01435096e-01 27 4.03367591e+01 -7.91991364e+01 2.44591204e+01 28 -6.20413158e+01 7.08049436e+01 1.95273906e+01 29 -1.57979664e+00 -4.22126481e+01 2.25477223e+01 30 4.43709028e+01 4.36825082e+01 1.36254545e+00 31 3.77833320e+00 -1.76401400e+01 3.42388058e+00 32 9.46425512e+00 3.58424813e+01 5.31928421e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1464116== Memcheck, a memory error detector ==1464116== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1464116== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1464116== Command: python runner2.py MEAM_LAMMPS_DoShinLee_2008_In__MO_439532348190_001 ==1464116== ==1464116== Mismatched free() / delete / delete [] ==1464116== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1464116== by 0x14BE9341C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== by 0x14BD664EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== by 0x14BD67C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== by 0x14BD50DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== by 0x14BD5459E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== 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) ==1464116== 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) ==1464116== 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) ==1464116== 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) ==1464116== 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) ==1464116== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==1464116== Address 0x14b075190 is 0 bytes inside a block of size 1,024 alloc'd ==1464116== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1464116== by 0x14BE92BA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== by 0x14BD664EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== by 0x14BD67C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== by 0x14BD50DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== by 0x14BD5459E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== 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) ==1464116== 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) ==1464116== 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) ==1464116== 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) ==1464116== 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) ==1464116== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==1464116== ==1464116== Mismatched free() / delete / delete [] ==1464116== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1464116== by 0x14BE8DDDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== by 0x14BD6651A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== by 0x14BD67C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== by 0x14BD50DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== by 0x14BD5459E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== 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) ==1464116== 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) ==1464116== 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) ==1464116== 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) ==1464116== 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) ==1464116== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==1464116== Address 0x14b076280 is 0 bytes inside a block of size 1,024 alloc'd ==1464116== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1464116== by 0x14BE8DBBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== by 0x14BD6651A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== by 0x14BD67C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== by 0x14BD50DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== by 0x14BD5459E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-e44efc7b-998c-4402-bc22-3522676464d0-007-bbd1c08a-d3b9-4d28-923b-84da5f04b26e/VC_561022993723_004-and-MO_439532348190_001-1683686385/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1464116== 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) ==1464116== 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) ==1464116== 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) ==1464116== 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) ==1464116== 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) ==1464116== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==1464116== ==1464116== Conditional jump or move depends on uninitialised value(s) ==1464116== at 0x699E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==1464116== by 0x6A9AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==1464116== by 0x6AA3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==1464116== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==1464116== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==1464116== by 0x69B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==1464116== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==1464116== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==1464116== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==1464116== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==1464116== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==1464116== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==1464116== ==1464116== ==1464116== HEAP SUMMARY: ==1464116== in use at exit: 2,273,255 bytes in 1,703 blocks ==1464116== total heap usage: 60,742 allocs, 59,039 frees, 87,624,472 bytes allocated ==1464116== ==1464116== LEAK SUMMARY: ==1464116== definitely lost: 0 bytes in 0 blocks ==1464116== indirectly lost: 0 bytes in 0 blocks ==1464116== possibly lost: 188,754 bytes in 107 blocks ==1464116== still reachable: 2,084,469 bytes in 1,595 blocks ==1464116== of which reachable via heuristic: ==1464116== stdstring : 38 bytes in 1 blocks ==1464116== suppressed: 32 bytes in 1 blocks ==1464116== Rerun with --leak-check=full to see details of leaked memory ==1464116== ==1464116== Use --track-origins=yes to see where uninitialised values come from ==1464116== For lists of detected and suppressed errors, rerun with: -s ==1464116== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 17957 from 611) ================================================================================ 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.