!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_001 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 ================================================================================ ==104235== Memcheck, a memory error detector ==104235== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==104235== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==104235== Command: python runner2.py MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_001 ==104235== ==110754== Warning: invalid file descriptor 255988 in syscall close() ==110754== Warning: invalid file descriptor 255989 in syscall close() ==110754== Warning: invalid file descriptor 255990 in syscall close() ==110754== Warning: invalid file descriptor 255991 in syscall close() ==110754== Use --log-fd= to select an alternative log fd. ==110754== Warning: invalid file descriptor 255992 in syscall close() ==110754== Warning: invalid file descriptor 255993 in syscall close() ==104235== Mismatched free() / delete / delete [] ==104235== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==104235== by 0x4AE9739C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x4AD6A54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x4AD6BC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x4AD54DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x4AD585CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x22C05F1E: 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) ==104235== by 0x22C06E18: 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) ==104235== by 0x22C0B762: 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) ==104235== by 0x22BBB246: 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) ==104235== by 0x2088F4C7: 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) ==104235== by 0x208A32E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==104235== Address 0x91c0e0b0 is 0 bytes inside a block of size 1,024 alloc'd ==104235== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==104235== by 0x4AE96B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x4AD6A54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x4AD6BC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x4AD54DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x4AD585CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x22C05F1E: 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) ==104235== by 0x22C06E18: 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) ==104235== by 0x22C0B762: 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) ==104235== by 0x22BBB246: 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) ==104235== by 0x2088F4C7: 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) ==104235== by 0x208A32E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==104235== ==104235== Mismatched free() / delete / delete [] ==104235== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==104235== by 0x4AE91DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x4AD6A578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x4AD6BC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x4AD54DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x4AD585CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x22C05F1E: 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) ==104235== by 0x22C06E18: 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) ==104235== by 0x22C0B762: 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) ==104235== by 0x22BBB246: 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) ==104235== by 0x2088F4C7: 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) ==104235== by 0x208A32E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==104235== Address 0x91c0f1f0 is 0 bytes inside a block of size 1,024 alloc'd ==104235== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==104235== by 0x4AE91BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x4AD6A578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x4AD6BC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x4AD54DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x4AD585CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-24dd4896-f7c3-45a2-8058-f18e658112db-007-31fd2179-54e3-4144-99c0-979a946dec02/VC_561022993723_003-and-MO_549900287421_001-1652564924/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==104235== by 0x22C05F1E: 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) ==104235== by 0x22C06E18: 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) ==104235== by 0x22C0B762: 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) ==104235== by 0x22BBB246: 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) ==104235== by 0x2088F4C7: 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) ==104235== by 0x208A32E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==104235== ==104235== ==104235== HEAP SUMMARY: ==104235== in use at exit: 2,202,999 bytes in 1,640 blocks ==104235== total heap usage: 50,258 allocs, 48,618 frees, 79,073,186 bytes allocated ==104235== ==104235== LEAK SUMMARY: ==104235== definitely lost: 0 bytes in 0 blocks ==104235== indirectly lost: 0 bytes in 0 blocks ==104235== possibly lost: 198,622 bytes in 101 blocks ==104235== still reachable: 2,004,345 bytes in 1,538 blocks ==104235== suppressed: 32 bytes in 1 blocks ==104235== Rerun with --leak-check=full to see details of leaked memory ==104235== ==104235== For lists of detected and suppressed errors, rerun with: -s ==104235== ERROR SUMMARY: 8 errors from 2 contexts (suppressed: 9048 from 545) ================================================================================ 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.