!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_PascuetFernandez_2015_Al__MO_315820974149_001 Supported species : Al random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 892.6726916583007 Forces: 1 -2.97053746e+01 -4.25030628e+01 -5.28543755e+01 2 -3.50067720e+01 9.11470776e+01 -6.88977651e+01 3 4.11392900e+01 -6.73494215e+01 -4.58165411e+00 4 -3.28272645e+01 5.83865098e+01 3.04562334e+01 5 2.11482661e+01 -9.64628219e+01 8.41913813e+00 6 4.12710412e+01 -6.63014500e+00 -4.86211739e+01 7 -1.29354119e+00 -5.63156738e+01 -6.10150748e+01 8 -5.83348768e+01 -4.44142388e+01 1.19868688e+01 9 -2.40637778e+01 -3.51273054e+01 -7.27585064e+01 10 -6.84446488e+01 1.17506758e+02 -1.42807218e+02 11 -5.37612652e+01 -1.14762770e+02 4.09487889e+01 12 -5.65886364e+01 6.37849310e+01 1.85731717e+01 13 -7.01271354e+00 -7.20443875e+01 -1.97946935e+02 14 6.43114210e+01 4.67606682e+01 -5.08464078e+01 15 1.82706762e+02 -2.84178794e+01 7.17521536e+01 16 -2.66167598e+01 1.54661613e+02 1.45154732e+02 17 -8.81266326e+01 -5.81884087e+01 -3.55284148e+01 18 5.06712014e+01 9.39749724e+01 -4.49962406e+01 19 5.37754502e+01 -8.16150074e+01 6.33149891e+01 20 -5.43223407e+01 5.67003012e+01 5.98513247e+01 21 -9.16169085e+01 -7.49245334e+01 3.96763364e+01 22 1.28503432e+02 8.81110316e+01 4.19641164e+01 23 2.59043307e+01 -1.39850780e+01 3.93167299e+01 24 1.14826932e+01 2.54332768e+01 3.04068105e+01 25 -6.96638389e+01 -6.58793735e+01 -4.08774171e+01 26 4.97167661e+01 1.10912214e+02 -7.82449154e+01 27 6.30579086e+01 -1.48219922e+02 8.56394222e+01 28 -1.46803837e+02 1.01748052e+02 6.74495219e+01 29 -4.42159789e+01 -7.15071542e+01 1.62954204e+01 30 7.51993864e+01 6.86029148e+01 -2.20151758e+01 31 5.67883455e+01 -4.88502620e+01 6.82677298e+01 32 2.27288723e+01 4.94671243e+01 8.25177868e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1101.5174576238885 Forces: 1 -3.55214730e+01 -4.98928448e+01 -6.26207956e+01 2 -3.95500335e+01 1.07910142e+02 -8.17580705e+01 3 5.09079947e+01 -8.05927553e+01 -5.64049373e+00 4 -3.85158431e+01 7.08476773e+01 3.62727363e+01 5 2.24743572e+01 -1.12383403e+02 1.22572330e+01 6 4.95012386e+01 -8.90875353e+00 -5.81845586e+01 7 -5.22300541e+00 -6.19244722e+01 -6.87088602e+01 8 -6.86248634e+01 -5.30757820e+01 1.45213220e+01 9 -2.81359813e+01 -4.21476354e+01 -8.52137097e+01 10 -7.83779814e+01 1.38602781e+02 -1.67576152e+02 11 -6.48981749e+01 -1.39443289e+02 5.12727462e+01 12 -6.79494308e+01 7.46389840e+01 2.24037882e+01 13 -7.96356392e+00 -8.31474109e+01 -2.32028333e+02 14 7.70789930e+01 5.44615550e+01 -6.08422680e+01 15 2.14131980e+02 -3.30600080e+01 8.50821267e+01 16 -3.51558027e+01 1.82173129e+02 1.70656250e+02 17 -1.05123669e+02 -7.00677100e+01 -4.25847815e+01 18 6.29865859e+01 1.15441225e+02 -5.60777621e+01 19 6.47357222e+01 -9.72720255e+01 7.60932509e+01 20 -6.55371533e+01 6.79593755e+01 7.16485938e+01 21 -1.09401415e+02 -8.93390424e+01 4.48890812e+01 22 1.53193332e+02 1.04748543e+02 4.75136031e+01 23 3.07639047e+01 -1.68766696e+01 4.68680416e+01 24 1.32928544e+01 3.11842160e+01 3.51853607e+01 25 -8.01451576e+01 -7.86094069e+01 -5.16935106e+01 26 6.09573766e+01 1.30271432e+02 -9.33338034e+01 27 7.55446088e+01 -1.74312682e+02 1.00953191e+02 28 -1.73439954e+02 1.19052895e+02 8.07227017e+01 29 -5.30920349e+01 -8.59506217e+01 1.89229499e+01 30 9.08192839e+01 8.02509441e+01 -2.67609564e+01 31 6.48220564e+01 -5.68227134e+01 7.96047696e+01 32 2.54452494e+01 5.62843276e+01 9.81563098e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1274292== Memcheck, a memory error detector ==1274292== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1274292== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1274292== Command: python runner2.py MEAM_LAMMPS_PascuetFernandez_2015_Al__MO_315820974149_001 ==1274292== ==1275640== Warning: invalid file descriptor 1024 in syscall close() ==1275640== Warning: invalid file descriptor 1025 in syscall close() ==1275640== Warning: invalid file descriptor 1026 in syscall close() ==1275640== Warning: invalid file descriptor 1027 in syscall close() ==1275640== Use --log-fd= to select an alternative log fd. ==1275640== Warning: invalid file descriptor 1028 in syscall close() ==1275640== Warning: invalid file descriptor 1029 in syscall close() ==1274292== Mismatched free() / delete / delete [] ==1274292== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274292== by 0x12C78038C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12C65354D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12C654C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12C63DDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12C6415CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12BEADF1E: 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) ==1274292== by 0x12BEAEE18: 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) ==1274292== by 0x12BEB3762: 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) ==1274292== by 0x12BE63246: 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) ==1274292== by 0x12BDC36C7: 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) ==1274292== by 0x12BDD917B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274292== Address 0xa8f7c150 is 0 bytes inside a block of size 1,024 alloc'd ==1274292== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274292== by 0x12C77FB11: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12C65354D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12C654C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12C63DDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12C6415CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12BEADF1E: 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) ==1274292== by 0x12BEAEE18: 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) ==1274292== by 0x12BEB3762: 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) ==1274292== by 0x12BE63246: 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) ==1274292== by 0x12BDC36C7: 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) ==1274292== by 0x12BDD917B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274292== ==1274292== Mismatched free() / delete / delete [] ==1274292== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274292== by 0x12C77ADBD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12C653578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12C654C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12C63DDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12C6415CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12BEADF1E: 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) ==1274292== by 0x12BEAEE18: 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) ==1274292== by 0x12BEB3762: 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) ==1274292== by 0x12BE63246: 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) ==1274292== by 0x12BDC36C7: 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) ==1274292== by 0x12BDD917B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274292== Address 0xa8f7d1a0 is 0 bytes inside a block of size 1,024 alloc'd ==1274292== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274292== by 0x12C77AB9B: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12C653578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12C654C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12C63DDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12C6415CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_315820974149_001-1669765235/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274292== by 0x12BEADF1E: 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) ==1274292== by 0x12BEAEE18: 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) ==1274292== by 0x12BEB3762: 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) ==1274292== by 0x12BE63246: 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) ==1274292== by 0x12BDC36C7: 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) ==1274292== by 0x12BDD917B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274292== ==1274292== ==1274292== HEAP SUMMARY: ==1274292== in use at exit: 2,257,559 bytes in 1,700 blocks ==1274292== total heap usage: 49,449 allocs, 47,749 frees, 74,161,784 bytes allocated ==1274292== ==1274292== LEAK SUMMARY: ==1274292== definitely lost: 0 bytes in 0 blocks ==1274292== indirectly lost: 0 bytes in 0 blocks ==1274292== possibly lost: 180,827 bytes in 103 blocks ==1274292== still reachable: 2,076,700 bytes in 1,596 blocks ==1274292== of which reachable via heuristic: ==1274292== stdstring : 38 bytes in 1 blocks ==1274292== suppressed: 32 bytes in 1 blocks ==1274292== Rerun with --leak-check=full to see details of leaked memory ==1274292== ==1274292== For lists of detected and suppressed errors, rerun with: -s ==1274292== ERROR SUMMARY: 8 errors from 2 contexts (suppressed: 7785 from 559) ================================================================================ 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.