!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_FernandezPascuet_2014_U__MO_399431830125_001 Supported species : U random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = U (Configuration in file "config-F-U.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1315.537532298873 Forces: 1 -2.80357552e+01 -7.21682302e+01 -8.09865854e+01 2 -5.97584075e+01 7.64153392e+01 -4.50965129e+01 3 5.34454018e+01 -7.32898910e+01 -3.91032011e+01 4 -5.73035295e+01 7.20746892e+01 5.09388856e+01 5 4.84868292e+01 -1.41549355e+02 -3.13546432e+01 6 6.26598139e+01 1.51881549e+01 -5.79804190e+01 7 7.14613563e+00 -2.19481880e+02 -2.46918414e+02 8 -1.06041247e+02 -8.79665053e+01 2.68510601e+01 9 -1.22793761e+02 -6.25662307e+01 -1.49106417e+02 10 2.41346129e+01 1.81910474e+02 -1.03896516e+02 11 -1.24434372e+01 -1.32288741e+02 1.20009537e+02 12 -1.05274372e+02 1.02874295e+02 5.54708688e+01 13 -1.17803443e+02 -1.03656901e+02 -4.24025524e+02 14 8.64618304e+01 7.27767554e+01 -8.53263608e+01 15 4.07778291e+02 -1.44369904e+02 1.48283110e+02 16 -1.63885126e+02 3.42215764e+02 1.46292077e+02 17 -1.32015635e+02 -7.77051610e+01 -4.22073567e+01 18 6.13593568e+01 1.28552955e+02 -5.96824193e+01 19 3.61760570e+01 -1.22707437e+02 9.57508717e+01 20 -7.26113081e+01 6.73138996e+01 8.51068975e+01 21 -1.21886042e+02 -1.11992032e+02 8.66082938e+01 22 2.19255065e+02 2.29633397e+02 1.81917760e+02 23 3.03846728e+01 -2.43355868e+01 4.40714628e+01 24 3.81350335e+01 4.51285761e+01 5.42565780e+01 25 -1.15488623e+02 -1.48901685e+02 -1.12385552e+02 26 1.36727507e+02 1.55850133e+02 -1.41808422e+02 27 1.94838822e+02 -3.02774295e+02 1.13598288e+02 28 -3.22631833e+02 2.68517747e+02 1.49835371e+02 29 -1.20746696e+02 -9.15996734e+01 3.17432877e+01 30 1.24013250e+02 1.13429660e+02 3.86928459e+01 31 1.00136787e+02 -6.25284358e+01 8.23262570e+01 32 2.75797508e+01 1.08000104e+02 1.08124891e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = U (Configuration in file "config-T-U.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1403.2270184785511 Forces: 1 -3.09067645e+01 -7.31462916e+01 -8.25017948e+01 2 -5.53435601e+01 7.46488852e+01 -4.58113397e+01 3 5.68409671e+01 -7.68295723e+01 -4.01016679e+01 4 -6.00345776e+01 7.57165833e+01 5.21203936e+01 5 4.51628301e+01 -1.44595520e+02 -3.53302549e+01 6 6.73992703e+01 1.54127955e+01 -6.07934553e+01 7 9.04756478e+00 -2.18115253e+02 -2.41962106e+02 8 -1.09873318e+02 -9.38503721e+01 2.79361660e+01 9 -1.27414608e+02 -6.45321100e+01 -1.54799435e+02 10 2.73798545e+01 1.91089490e+02 -1.09255734e+02 11 -2.03193483e+01 -1.37153804e+02 1.19528512e+02 12 -1.12638931e+02 1.05390204e+02 5.73424864e+01 13 -1.18241833e+02 -1.05693118e+02 -4.36159003e+02 14 9.02116645e+01 7.40541753e+01 -8.89798815e+01 15 4.20347962e+02 -1.45399290e+02 1.49423418e+02 16 -1.69085799e+02 3.57911506e+02 1.50324264e+02 17 -1.39272549e+02 -8.28294535e+01 -4.13428425e+01 18 6.42680773e+01 1.35532990e+02 -6.15800608e+01 19 3.78082894e+01 -1.29627140e+02 1.00139086e+02 20 -7.67981935e+01 6.92238970e+01 8.88239176e+01 21 -1.23470400e+02 -1.14754578e+02 8.63334628e+01 22 2.26936194e+02 2.26759222e+02 1.75921044e+02 23 3.13165083e+01 -2.75843868e+01 4.71945445e+01 24 3.78189213e+01 4.84111797e+01 5.73511703e+01 25 -1.19292294e+02 -1.55366465e+02 -1.20307757e+02 26 1.40297559e+02 1.63126251e+02 -1.46884632e+02 27 1.94889563e+02 -3.03842596e+02 1.19608902e+02 28 -3.25656408e+02 2.67895392e+02 1.54076882e+02 29 -1.25830556e+02 -9.68812087e+01 4.10382788e+01 30 1.31762054e+02 1.19810375e+02 3.57168560e+01 31 1.03245972e+02 -6.49879899e+01 8.81487230e+01 32 2.94458875e+01 1.10206205e+02 1.14781858e+02 ================================================================================ VALGRIND OUTPUT ================================================================================ ==140648== Memcheck, a memory error detector ==140648== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==140648== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==140648== Command: python runner2.py MEAM_LAMMPS_FernandezPascuet_2014_U__MO_399431830125_001 ==140648== ==140732== Warning: invalid file descriptor 255988 in syscall close() ==140732== Warning: invalid file descriptor 255989 in syscall close() ==140732== Warning: invalid file descriptor 255990 in syscall close() ==140732== Warning: invalid file descriptor 255991 in syscall close() ==140732== Use --log-fd= to select an alternative log fd. ==140732== Warning: invalid file descriptor 255992 in syscall close() ==140732== Warning: invalid file descriptor 255993 in syscall close() ==140648== Mismatched free() / delete / delete [] ==140648== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==140648== by 0x119B9E39C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x119A7154D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x119A72C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x119A5BDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x119A5F5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x3E6C4F1E: 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) ==140648== by 0x3E6C5E18: 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) ==140648== by 0x3E6CA762: 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) ==140648== by 0x3E67A246: 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) ==140648== by 0x2FC9D4C7: 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) ==140648== by 0x2FCB12E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==140648== Address 0x44adc4b0 is 0 bytes inside a block of size 1,024 alloc'd ==140648== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==140648== by 0x119B9DB21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x119A7154D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x119A72C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x119A5BDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x119A5F5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x3E6C4F1E: 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) ==140648== by 0x3E6C5E18: 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) ==140648== by 0x3E6CA762: 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) ==140648== by 0x3E67A246: 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) ==140648== by 0x2FC9D4C7: 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) ==140648== by 0x2FCB12E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==140648== ==140648== Mismatched free() / delete / delete [] ==140648== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==140648== by 0x119B98DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x119A71578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x119A72C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x119A5BDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x119A5F5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x3E6C4F1E: 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) ==140648== by 0x3E6C5E18: 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) ==140648== by 0x3E6CA762: 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) ==140648== by 0x3E67A246: 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) ==140648== by 0x2FC9D4C7: 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) ==140648== by 0x2FCB12E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==140648== Address 0x44add5f0 is 0 bytes inside a block of size 1,024 alloc'd ==140648== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==140648== by 0x119B98BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x119A71578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x119A72C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x119A5BDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x119A5F5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-c11c6a22-f52e-4ed1-b7f9-e9065d487d7b-007-63f8cbeb-dd6d-4d46-8307-58c6764eab55/VC_561022993723_003-and-MO_399431830125_001-1637468515/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==140648== by 0x3E6C4F1E: 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) ==140648== by 0x3E6C5E18: 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) ==140648== by 0x3E6CA762: 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) ==140648== by 0x3E67A246: 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) ==140648== by 0x2FC9D4C7: 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) ==140648== by 0x2FCB12E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==140648== ==140648== ==140648== HEAP SUMMARY: ==140648== in use at exit: 2,202,999 bytes in 1,640 blocks ==140648== total heap usage: 50,226 allocs, 48,586 frees, 79,077,020 bytes allocated ==140648== ==140648== LEAK SUMMARY: ==140648== definitely lost: 0 bytes in 0 blocks ==140648== indirectly lost: 0 bytes in 0 blocks ==140648== possibly lost: 198,622 bytes in 101 blocks ==140648== still reachable: 2,004,345 bytes in 1,538 blocks ==140648== suppressed: 32 bytes in 1 blocks ==140648== Rerun with --leak-check=full to see details of leaked memory ==140648== ==140648== For lists of detected and suppressed errors, rerun with: -s ==140648== ERROR SUMMARY: 8 errors from 2 contexts (suppressed: 9053 from 564) ================================================================================ 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.