!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LeeBaskesKim_2001_Cr__MO_134550636109_000 Supported species : Cr random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cr (Configuration in file "config-F-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = -29.295330375722084 Forces: 1 -4.57875451e+00 -2.89016305e+00 -4.68856343e+00 2 3.74735805e-01 1.81521983e+00 -6.66411012e+00 3 3.45447536e+00 -6.80880341e+00 3.02556538e+00 4 -5.85322665e+00 5.23006338e+00 -1.06064489e+00 5 2.22475152e+00 -4.95476790e+00 -4.79902262e+00 6 2.53550898e+00 3.92784293e-01 -3.76652294e+00 7 5.59642921e+00 -8.10902368e+00 -4.09047386e+00 8 -7.25167231e+00 -9.97794307e+00 1.16645389e+00 9 -6.89312876e+00 -2.12079814e+00 -6.24369909e+00 10 -4.67657942e+00 1.33736534e+01 -8.67502486e+00 11 -7.60894216e+00 -9.28010668e+00 5.27312113e+00 12 -6.13291318e+00 5.06363134e+00 1.44674057e+00 13 1.30249765e+00 -8.36034953e+00 -2.08265076e+01 14 8.13116089e+00 7.38023354e+00 -5.47937772e+00 15 2.30492476e+01 -7.59677383e+00 5.34423931e-01 16 -4.24760003e+00 2.30941818e+01 3.11409639e+00 17 -6.49866452e+00 -5.66065120e+00 1.23988265e+00 18 2.40203677e+00 3.25538234e+00 -3.68768018e+00 19 1.43235599e+00 -6.02619038e+00 5.15582416e+00 20 -3.97613169e+00 1.97058615e+00 4.10067994e+00 21 -3.51767651e+00 -6.84661392e+00 2.64078851e+00 22 1.03545762e+01 2.63787567e+00 5.78041074e+00 23 9.67850497e-01 -6.51293456e-01 2.20336653e+00 24 2.31422282e+00 -2.82067299e+00 5.22101988e+00 25 -7.83167277e+00 -2.32713445e+00 -1.90060524e+00 26 -1.10099195e+00 9.61564528e+00 -3.26370567e+00 27 -1.62145826e+00 -4.34646653e+00 8.36762113e+00 28 -5.62849614e+00 4.67017814e+00 4.01421199e+00 29 -4.81951151e+00 -4.01757977e+00 5.02786895e+00 30 6.41510798e+00 8.19123468e+00 2.78556157e+00 31 7.94836126e+00 -1.54828662e+00 7.03981371e+00 32 3.73410180e+00 7.65294878e+00 7.00848722e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cr (Configuration in file "config-T-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = -29.295330375722084 Forces: 1 -4.57875451e+00 -2.89016305e+00 -4.68856343e+00 2 3.74735805e-01 1.81521983e+00 -6.66411012e+00 3 3.45447536e+00 -6.80880341e+00 3.02556538e+00 4 -5.85322665e+00 5.23006338e+00 -1.06064489e+00 5 2.22475152e+00 -4.95476790e+00 -4.79902262e+00 6 2.53550898e+00 3.92784293e-01 -3.76652294e+00 7 5.59642921e+00 -8.10902368e+00 -4.09047386e+00 8 -7.25167231e+00 -9.97794307e+00 1.16645389e+00 9 -6.89312876e+00 -2.12079814e+00 -6.24369909e+00 10 -4.67657942e+00 1.33736534e+01 -8.67502486e+00 11 -7.60894216e+00 -9.28010668e+00 5.27312113e+00 12 -6.13291318e+00 5.06363134e+00 1.44674057e+00 13 1.30249765e+00 -8.36034953e+00 -2.08265076e+01 14 8.13116089e+00 7.38023354e+00 -5.47937772e+00 15 2.30492476e+01 -7.59677383e+00 5.34423931e-01 16 -4.24760003e+00 2.30941818e+01 3.11409639e+00 17 -6.49866452e+00 -5.66065120e+00 1.23988265e+00 18 2.40203677e+00 3.25538234e+00 -3.68768018e+00 19 1.43235599e+00 -6.02619038e+00 5.15582416e+00 20 -3.97613169e+00 1.97058615e+00 4.10067994e+00 21 -3.51767651e+00 -6.84661392e+00 2.64078851e+00 22 1.03545762e+01 2.63787567e+00 5.78041074e+00 23 9.67850497e-01 -6.51293456e-01 2.20336653e+00 24 2.31422282e+00 -2.82067299e+00 5.22101988e+00 25 -7.83167277e+00 -2.32713445e+00 -1.90060524e+00 26 -1.10099195e+00 9.61564528e+00 -3.26370567e+00 27 -1.62145826e+00 -4.34646653e+00 8.36762113e+00 28 -5.62849614e+00 4.67017814e+00 4.01421199e+00 29 -4.81951151e+00 -4.01757977e+00 5.02786895e+00 30 6.41510798e+00 8.19123468e+00 2.78556157e+00 31 7.94836126e+00 -1.54828662e+00 7.03981371e+00 32 3.73410180e+00 7.65294878e+00 7.00848722e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==142024== Memcheck, a memory error detector ==142024== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==142024== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==142024== Command: python runner2.py MEAM_LAMMPS_LeeBaskesKim_2001_Cr__MO_134550636109_000 ==142024== ==148330== Warning: invalid file descriptor 255988 in syscall close() ==148330== Warning: invalid file descriptor 255989 in syscall close() ==148330== Warning: invalid file descriptor 255990 in syscall close() ==148330== Warning: invalid file descriptor 255991 in syscall close() ==148330== Use --log-fd= to select an alternative log fd. ==148330== Warning: invalid file descriptor 255992 in syscall close() ==148330== Warning: invalid file descriptor 255993 in syscall close() ==142024== Mismatched free() / delete / delete [] ==142024== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==142024== by 0x119BBE39C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x119A9154D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x119A92C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x119A7BDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x119A7F5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x4D219F1E: 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) ==142024== by 0x4D21AE18: 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) ==142024== by 0x4D21F762: 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) ==142024== by 0x4D1CF246: 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) ==142024== by 0x3E2084C7: 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) ==142024== by 0x3E21C2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==142024== Address 0x540e6d00 is 0 bytes inside a block of size 1,024 alloc'd ==142024== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==142024== by 0x119BBDB21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x119A9154D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x119A92C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x119A7BDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x119A7F5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x4D219F1E: 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) ==142024== by 0x4D21AE18: 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) ==142024== by 0x4D21F762: 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) ==142024== by 0x4D1CF246: 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) ==142024== by 0x3E2084C7: 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) ==142024== by 0x3E21C2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==142024== ==142024== Mismatched free() / delete / delete [] ==142024== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==142024== by 0x119BB8DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x119A91578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x119A92C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x119A7BDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x119A7F5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x4D219F1E: 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) ==142024== by 0x4D21AE18: 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) ==142024== by 0x4D21F762: 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) ==142024== by 0x4D1CF246: 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) ==142024== by 0x3E2084C7: 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) ==142024== by 0x3E21C2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==142024== Address 0x540e7e40 is 0 bytes inside a block of size 1,024 alloc'd ==142024== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==142024== by 0x119BB8BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x119A91578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x119A92C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x119A7BDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x119A7F5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-7111f11a-3a69-4723-9274-a63b685f5404-007-ac03850d-49f4-4194-a11b-c26b92e3cc5b/VC_561022993723_003-and-MO_134550636109_000-1657921952/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==142024== by 0x4D219F1E: 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) ==142024== by 0x4D21AE18: 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) ==142024== by 0x4D21F762: 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) ==142024== by 0x4D1CF246: 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) ==142024== by 0x3E2084C7: 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) ==142024== by 0x3E21C2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==142024== ==142024== ==142024== HEAP SUMMARY: ==142024== in use at exit: 2,203,031 bytes in 1,640 blocks ==142024== total heap usage: 50,389 allocs, 48,749 frees, 79,085,321 bytes allocated ==142024== ==142024== LEAK SUMMARY: ==142024== definitely lost: 0 bytes in 0 blocks ==142024== indirectly lost: 0 bytes in 0 blocks ==142024== possibly lost: 198,622 bytes in 101 blocks ==142024== still reachable: 2,004,377 bytes in 1,538 blocks ==142024== suppressed: 32 bytes in 1 blocks ==142024== Rerun with --leak-check=full to see details of leaked memory ==142024== ==142024== For lists of detected and suppressed errors, rerun with: -s ==142024== ERROR SUMMARY: 8 errors from 2 contexts (suppressed: 9004 from 549) ================================================================================ 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.