!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_EtesamiAsadi_2018_Fe__MO_549900287421_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 = -23.998795885050193 Forces: 1 -3.71151970e+00 -6.13155439e+00 -7.45299836e+00 2 -7.94571782e+00 1.32677513e+01 -5.30481812e+00 3 1.78111750e+00 -6.31423723e+00 3.37613802e+00 4 -3.84282081e+00 5.42836089e+00 4.50026713e+00 5 9.59717432e+00 -1.58498311e+01 -2.86356935e+00 6 2.91931345e+00 1.88558064e+00 -3.66389208e+00 7 2.99766064e+00 -2.01609708e+01 -2.04706786e+01 8 -6.33487890e+00 -4.99706131e+00 -5.62632089e+00 9 -6.90823095e+00 -3.53065429e+00 -1.00438292e+01 10 -3.87678894e+00 1.21806673e+01 -1.24350990e+01 11 -5.05001040e+00 -7.93024063e+00 7.00398133e+00 12 -5.16486017e+00 6.06326817e+00 3.20715205e+00 13 -5.98606600e+00 -7.59157925e+00 -2.96618885e+01 14 4.37021650e+00 5.66593834e+00 -3.24116089e+00 15 2.65302792e+01 -4.68966311e+00 8.53678402e+00 16 2.42570560e+00 1.85035823e+01 8.66599100e+00 17 -5.26788841e+00 -2.40989742e+00 -2.87265049e+00 18 -4.94220965e+00 1.47596031e+00 4.86158215e+00 19 3.83697342e+00 -4.63553569e+00 3.47794802e+00 20 -2.28334968e+00 3.90192775e+00 2.43180154e+00 21 -7.44580488e+00 -8.42055443e+00 8.77629939e+00 22 1.55720582e+01 1.43326069e+01 1.25023476e+01 23 2.77008700e+00 -1.06110087e+00 4.97500926e+00 24 -1.48470899e+00 7.55461667e-01 2.73747625e+00 25 -7.13059218e+00 -5.23963376e+00 -2.89554227e+00 26 -3.77988483e+00 1.13713612e+01 -5.30877618e+00 27 1.61897984e+01 -2.53183752e+01 8.28692011e+00 28 -2.36482329e+01 2.13911243e+01 4.41120843e+00 29 -3.98540513e+00 -3.25218811e+00 6.43805991e+00 30 5.19101691e+00 7.90865706e+00 2.39206814e+00 31 9.17507932e+00 -4.14728104e+00 6.62722410e+00 32 5.43248987e+00 7.54811044e+00 8.63296549e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -23.998795885050193 Forces: 1 -3.71151970e+00 -6.13155439e+00 -7.45299836e+00 2 -7.94571782e+00 1.32677513e+01 -5.30481812e+00 3 1.78111750e+00 -6.31423723e+00 3.37613802e+00 4 -3.84282081e+00 5.42836089e+00 4.50026713e+00 5 9.59717432e+00 -1.58498311e+01 -2.86356935e+00 6 2.91931345e+00 1.88558064e+00 -3.66389208e+00 7 2.99766064e+00 -2.01609708e+01 -2.04706786e+01 8 -6.33487890e+00 -4.99706131e+00 -5.62632089e+00 9 -6.90823095e+00 -3.53065429e+00 -1.00438292e+01 10 -3.87678894e+00 1.21806673e+01 -1.24350990e+01 11 -5.05001040e+00 -7.93024063e+00 7.00398133e+00 12 -5.16486017e+00 6.06326817e+00 3.20715205e+00 13 -5.98606600e+00 -7.59157925e+00 -2.96618885e+01 14 4.37021650e+00 5.66593834e+00 -3.24116089e+00 15 2.65302792e+01 -4.68966311e+00 8.53678402e+00 16 2.42570560e+00 1.85035823e+01 8.66599100e+00 17 -5.26788841e+00 -2.40989742e+00 -2.87265049e+00 18 -4.94220965e+00 1.47596031e+00 4.86158215e+00 19 3.83697342e+00 -4.63553569e+00 3.47794802e+00 20 -2.28334968e+00 3.90192775e+00 2.43180154e+00 21 -7.44580488e+00 -8.42055443e+00 8.77629939e+00 22 1.55720582e+01 1.43326069e+01 1.25023476e+01 23 2.77008700e+00 -1.06110087e+00 4.97500926e+00 24 -1.48470899e+00 7.55461667e-01 2.73747625e+00 25 -7.13059218e+00 -5.23963376e+00 -2.89554227e+00 26 -3.77988483e+00 1.13713612e+01 -5.30877618e+00 27 1.61897984e+01 -2.53183752e+01 8.28692011e+00 28 -2.36482329e+01 2.13911243e+01 4.41120843e+00 29 -3.98540513e+00 -3.25218811e+00 6.43805991e+00 30 5.19101691e+00 7.90865706e+00 2.39206814e+00 31 9.17507932e+00 -4.14728104e+00 6.62722410e+00 32 5.43248987e+00 7.54811044e+00 8.63296549e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1815865== Memcheck, a memory error detector ==1815865== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1815865== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1815865== Command: python runner2.py MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_002 ==1815865== ==1815865== Mismatched free() / delete / delete [] ==1815865== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1815865== by 0x14BE8C41C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== 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) ==1815865== 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) ==1815865== 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) ==1815865== 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) ==1815865== 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) ==1815865== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==1815865== Address 0x14b075370 is 0 bytes inside a block of size 1,024 alloc'd ==1815865== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1815865== by 0x14BE8BBA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== 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) ==1815865== 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) ==1815865== 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) ==1815865== 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) ==1815865== 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) ==1815865== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==1815865== ==1815865== Mismatched free() / delete / delete [] ==1815865== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1815865== by 0x14BE86DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== 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) ==1815865== 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) ==1815865== 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) ==1815865== 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) ==1815865== 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) ==1815865== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==1815865== Address 0x14b076140 is 0 bytes inside a block of size 1,024 alloc'd ==1815865== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1815865== by 0x14BE86BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_549900287421_002-1683668738/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815865== 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) ==1815865== 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) ==1815865== 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) ==1815865== 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) ==1815865== 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) ==1815865== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==1815865== ==1815865== Conditional jump or move depends on uninitialised value(s) ==1815865== at 0x699E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==1815865== by 0x6A9AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==1815865== by 0x6AA3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==1815865== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==1815865== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==1815865== by 0x69B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==1815865== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==1815865== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==1815865== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==1815865== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==1815865== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==1815865== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==1815865== ==1815865== ==1815865== HEAP SUMMARY: ==1815865== in use at exit: 2,273,255 bytes in 1,703 blocks ==1815865== total heap usage: 60,774 allocs, 59,071 frees, 87,625,871 bytes allocated ==1815865== ==1815865== LEAK SUMMARY: ==1815865== definitely lost: 0 bytes in 0 blocks ==1815865== indirectly lost: 0 bytes in 0 blocks ==1815865== possibly lost: 188,754 bytes in 107 blocks ==1815865== still reachable: 2,084,469 bytes in 1,595 blocks ==1815865== of which reachable via heuristic: ==1815865== stdstring : 38 bytes in 1 blocks ==1815865== suppressed: 32 bytes in 1 blocks ==1815865== Rerun with --leak-check=full to see details of leaked memory ==1815865== ==1815865== Use --track-origins=yes to see where uninitialised values come from ==1815865== For lists of detected and suppressed errors, rerun with: -s ==1815865== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 17871 from 603) ================================================================================ 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.