!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LeeShimBaskes_2003_Ag__MO_969318541747_000 Supported species : Ag random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ag (Configuration in file "config-F-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 277.0318969165718 Forces: 1 -4.84003869e+00 -1.98899241e+01 -2.08016713e+01 2 -1.81838208e+01 1.29376091e+01 -1.93000123e+01 3 1.08012352e+01 -2.28799416e+01 -9.27582116e+00 4 -1.86238737e+01 1.63058534e+01 1.12063963e+01 5 -6.67631859e-01 -3.90691963e+01 -9.03857433e+00 6 2.09652305e+01 1.41381351e+01 -2.18038175e+01 7 7.76395603e+00 -5.75361785e+01 -4.50369620e+01 8 -2.51480337e+01 -3.13445584e+01 1.27293488e+00 9 -2.73330287e+01 -1.36667960e+01 -3.40620715e+01 10 -1.42908271e+01 6.25239574e+01 -4.28629830e+01 11 -3.13838460e+01 -3.71169303e+01 3.88353905e+01 12 -2.70478850e+01 3.19066496e+01 1.08954335e+01 13 2.60402099e+01 -3.15748358e+01 -7.64292458e+01 14 2.32329746e+01 2.05092769e+01 -1.71938413e+01 15 7.83281651e+01 -3.71267774e+01 -1.32006930e+01 16 -2.49462289e+01 6.77254462e+01 1.89363738e+01 17 -3.71126399e+01 -1.90618661e+01 -1.17702342e+01 18 1.25162534e+01 2.59303807e+01 -1.20543766e+01 19 7.48281061e+00 -3.44232032e+01 2.51470250e+01 20 -1.66572602e+01 1.79305480e+01 2.22248392e+01 21 -3.15737221e+01 -3.08803374e+01 1.11777200e+01 22 5.94306080e+01 5.90113683e+01 4.86782035e+01 23 1.04694367e+01 -5.06493207e+00 1.38367624e+01 24 1.20706506e+01 1.07070968e+01 1.72260578e+01 25 -1.95358328e+01 -2.38009942e+01 -9.35173312e+00 26 -2.98277283e+00 3.26488934e+01 -3.14405621e+01 27 3.28480576e+01 -6.98197585e+01 1.89485690e+01 28 -7.13055743e+01 6.44031680e+01 3.32752370e+01 29 -2.59175421e+01 -2.79826507e+01 1.07742826e+01 30 4.36644332e+01 3.88994553e+01 2.95517117e+01 31 3.20574794e+01 -1.43729108e+01 1.95578093e+01 32 1.98790579e+01 4.00339532e+01 4.20778525e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ag (Configuration in file "config-T-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 277.0318969165718 Forces: 1 -4.84003869e+00 -1.98899241e+01 -2.08016713e+01 2 -1.81838208e+01 1.29376091e+01 -1.93000123e+01 3 1.08012352e+01 -2.28799416e+01 -9.27582116e+00 4 -1.86238737e+01 1.63058534e+01 1.12063963e+01 5 -6.67631859e-01 -3.90691963e+01 -9.03857433e+00 6 2.09652305e+01 1.41381351e+01 -2.18038175e+01 7 7.76395603e+00 -5.75361785e+01 -4.50369620e+01 8 -2.51480337e+01 -3.13445584e+01 1.27293488e+00 9 -2.73330287e+01 -1.36667960e+01 -3.40620715e+01 10 -1.42908271e+01 6.25239574e+01 -4.28629830e+01 11 -3.13838460e+01 -3.71169303e+01 3.88353905e+01 12 -2.70478850e+01 3.19066496e+01 1.08954335e+01 13 2.60402099e+01 -3.15748358e+01 -7.64292458e+01 14 2.32329746e+01 2.05092769e+01 -1.71938413e+01 15 7.83281651e+01 -3.71267774e+01 -1.32006930e+01 16 -2.49462289e+01 6.77254462e+01 1.89363738e+01 17 -3.71126399e+01 -1.90618661e+01 -1.17702342e+01 18 1.25162534e+01 2.59303807e+01 -1.20543766e+01 19 7.48281061e+00 -3.44232032e+01 2.51470250e+01 20 -1.66572602e+01 1.79305480e+01 2.22248392e+01 21 -3.15737221e+01 -3.08803374e+01 1.11777200e+01 22 5.94306080e+01 5.90113683e+01 4.86782035e+01 23 1.04694367e+01 -5.06493207e+00 1.38367624e+01 24 1.20706506e+01 1.07070968e+01 1.72260578e+01 25 -1.95358328e+01 -2.38009942e+01 -9.35173312e+00 26 -2.98277283e+00 3.26488934e+01 -3.14405621e+01 27 3.28480576e+01 -6.98197585e+01 1.89485690e+01 28 -7.13055743e+01 6.44031680e+01 3.32752370e+01 29 -2.59175421e+01 -2.79826507e+01 1.07742826e+01 30 4.36644332e+01 3.88994553e+01 2.95517117e+01 31 3.20574794e+01 -1.43729108e+01 1.95578093e+01 32 1.98790579e+01 4.00339532e+01 4.20778525e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1812630== Memcheck, a memory error detector ==1812630== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1812630== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1812630== Command: python runner2.py MEAM_LAMMPS_LeeShimBaskes_2003_Ag__MO_969318541747_000 ==1812630== ==1813915== Warning: invalid file descriptor 1024 in syscall close() ==1813915== Warning: invalid file descriptor 1025 in syscall close() ==1813915== Warning: invalid file descriptor 1026 in syscall close() ==1813915== Warning: invalid file descriptor 1027 in syscall close() ==1813915== Use --log-fd= to select an alternative log fd. ==1813915== Warning: invalid file descriptor 1028 in syscall close() ==1813915== Warning: invalid file descriptor 1029 in syscall close() ==1812630== Mismatched free() / delete / delete [] ==1812630== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812630== by 0x12C78638C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12C65954D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12C65AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12C643DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12C6475CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12BEB3F1E: 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) ==1812630== by 0x12BEB4E18: 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) ==1812630== by 0x12BEB9762: 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) ==1812630== by 0x12BE69246: 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) ==1812630== by 0x12BDC96C7: 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) ==1812630== by 0x12BDDF17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812630== Address 0xa8f77fc0 is 0 bytes inside a block of size 1,024 alloc'd ==1812630== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812630== by 0x12C785B11: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12C65954D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12C65AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12C643DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12C6475CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12BEB3F1E: 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) ==1812630== by 0x12BEB4E18: 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) ==1812630== by 0x12BEB9762: 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) ==1812630== by 0x12BE69246: 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) ==1812630== by 0x12BDC96C7: 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) ==1812630== by 0x12BDDF17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812630== ==1812630== Mismatched free() / delete / delete [] ==1812630== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812630== by 0x12C780DBD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12C659578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12C65AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12C643DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12C6475CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12BEB3F1E: 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) ==1812630== by 0x12BEB4E18: 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) ==1812630== by 0x12BEB9762: 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) ==1812630== by 0x12BE69246: 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) ==1812630== by 0x12BDC96C7: 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) ==1812630== by 0x12BDDF17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812630== Address 0xa8f79010 is 0 bytes inside a block of size 1,024 alloc'd ==1812630== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812630== by 0x12C780B9B: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12C659578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12C65AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12C643DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12C6475CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_969318541747_000-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812630== by 0x12BEB3F1E: 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) ==1812630== by 0x12BEB4E18: 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) ==1812630== by 0x12BEB9762: 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) ==1812630== by 0x12BE69246: 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) ==1812630== by 0x12BDC96C7: 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) ==1812630== by 0x12BDDF17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812630== ==1812630== ==1812630== HEAP SUMMARY: ==1812630== in use at exit: 2,257,559 bytes in 1,700 blocks ==1812630== total heap usage: 49,449 allocs, 47,749 frees, 74,158,047 bytes allocated ==1812630== ==1812630== LEAK SUMMARY: ==1812630== definitely lost: 0 bytes in 0 blocks ==1812630== indirectly lost: 0 bytes in 0 blocks ==1812630== possibly lost: 180,827 bytes in 103 blocks ==1812630== still reachable: 2,076,700 bytes in 1,596 blocks ==1812630== of which reachable via heuristic: ==1812630== stdstring : 38 bytes in 1 blocks ==1812630== suppressed: 32 bytes in 1 blocks ==1812630== Rerun with --leak-check=full to see details of leaked memory ==1812630== ==1812630== For lists of detected and suppressed errors, rerun with: -s ==1812630== ERROR SUMMARY: 8 errors from 2 contexts (suppressed: 7748 from 538) ================================================================================ 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.