!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Wagner_2007_Ni__MO_444394830472_001 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11252.320808793995 Forces: 1 4.26720511e+02 2.34147986e+02 -2.42505182e+02 2 -4.50706908e+02 1.32156855e+01 -3.55260428e+02 3 -7.46390394e+02 -8.26303914e+02 1.17918949e+03 4 -3.56290064e+02 2.45339766e+02 1.65387963e+02 5 1.27728226e+02 -9.62594637e+01 -6.74747406e+01 6 -1.00871710e+02 5.48360626e-01 5.67333642e+01 7 2.41784854e+02 -3.41287928e+02 -1.28980430e+02 8 -2.16248667e+02 -2.12064738e+02 2.34938436e+02 9 -9.53465103e-01 -1.96235432e+02 -9.01246742e+01 10 -5.79523703e+01 6.88949153e+01 -2.06647244e+01 11 1.08915382e+02 5.62125169e+01 7.06157430e+01 12 4.54577496e+00 2.48208911e+01 9.58682660e+01 13 -3.98337931e+04 -2.77172392e+04 -7.36299606e+02 14 3.99393169e+04 2.76293601e+04 6.26353340e+02 15 2.84739692e+02 4.22225547e+02 -1.17627150e+01 16 -3.74856893e+01 5.20937792e+01 4.45520562e+01 17 -8.30929535e+03 1.00028601e+04 4.89395628e+03 18 9.98114154e+02 1.06655567e+03 1.95819730e+02 19 1.69674246e+04 -7.28783812e+03 1.95967374e+03 20 -8.82497483e+03 -3.13358834e+03 -8.27643107e+03 21 -8.33910385e+02 -3.29430581e+03 -6.08942606e+03 22 -2.11499291e+02 2.11104915e+02 -4.38288786e+01 23 -2.63097541e+03 4.50285876e+03 2.73318767e+03 24 3.47766865e+03 -1.19355835e+03 3.39709145e+03 25 -7.27933686e+04 7.74008862e+04 2.03490113e+04 26 -3.60723254e+01 2.85763637e+01 3.17895226e+01 27 1.07352416e+05 -3.13607313e+04 1.08204079e+05 28 -3.44949634e+04 -4.61896310e+04 -1.28125344e+05 29 3.44356380e+01 -2.85398123e+01 -9.15829415e-01 30 3.93295242e+01 2.80066567e+01 -1.82742257e+02 31 -1.02504233e+01 -1.69216474e+02 7.66850872e+01 32 -5.71378857e+01 5.90916945e+01 5.68278366e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 20733.513590207953 Forces: 1 7.50222090e+02 4.29607420e+02 -2.94406280e+02 2 -6.76212906e+02 -5.78055508e+01 -5.89859787e+02 3 -1.25981727e+03 -1.33424084e+03 1.88398558e+03 4 -5.87636704e+02 3.58960820e+02 2.22198587e+02 5 1.56254860e+02 -9.54589440e+01 -1.46517221e+02 6 -2.08441458e+02 -4.35814648e+01 1.54174442e+02 7 3.43267762e+02 -3.82430128e+02 -1.42788746e+02 8 -2.03483561e+02 -1.80737478e+02 2.32929296e+02 9 1.33493168e+01 -2.65579788e+02 -6.89198373e+01 10 -5.58279382e+01 6.30871229e+01 -2.64757234e+01 11 1.66962628e+02 7.93662026e+01 9.24024502e+01 12 -1.89349671e+01 2.39519730e+01 1.12618989e+02 13 -7.05009926e+04 -4.89398992e+04 -1.23722839e+03 14 7.06234611e+04 4.88476933e+04 1.11101019e+03 15 2.97187526e+02 4.62609987e+02 -7.44628390e+00 16 -4.74385527e+01 7.04981031e+01 6.04091502e+01 17 -1.21872446e+04 1.53358939e+04 7.76300165e+03 18 1.61965476e+03 1.74396742e+03 3.24808966e+02 19 2.53707379e+04 -1.11955901e+04 2.64179559e+03 20 -1.34252189e+04 -4.85142551e+03 -1.26864545e+04 21 -1.26707526e+03 -5.88941287e+03 -1.05700152e+04 22 -2.36100497e+02 2.34252436e+02 -3.94665747e+01 23 -4.91928521e+03 8.05939763e+03 4.57411063e+03 24 6.20990152e+03 -2.14910053e+03 6.04688246e+03 25 -1.19807642e+05 1.27516584e+05 3.34859778e+04 26 -2.87903871e+01 3.38323173e+01 3.15622880e+01 27 1.74924563e+05 -5.00611583e+04 1.78120326e+05 28 -5.50276886e+04 -7.76598408e+04 -2.10965544e+05 29 3.31712404e+01 -2.67006271e+01 -8.32336465e+00 30 3.85929538e+01 2.35199765e+01 -2.40129009e+02 31 -1.24488438e+01 -2.09206339e+02 1.07675847e+02 32 -7.70465912e+01 5.89454844e+01 5.77045752e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1274294== Memcheck, a memory error detector ==1274294== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1274294== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1274294== Command: python runner2.py MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_001 ==1274294== ==1275637== Warning: invalid file descriptor 1024 in syscall close() ==1275637== Warning: invalid file descriptor 1025 in syscall close() ==1275637== Warning: invalid file descriptor 1026 in syscall close() ==1275637== Warning: invalid file descriptor 1027 in syscall close() ==1275637== Use --log-fd= to select an alternative log fd. ==1275637== Warning: invalid file descriptor 1028 in syscall close() ==1275637== Warning: invalid file descriptor 1029 in syscall close() ==1274294== Mismatched free() / delete / delete [] ==1274294== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274294== by 0x12C78438C: 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_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12C65754D: 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_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12C658C83: 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_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12C641DE7: 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_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12BEB1F1E: 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) ==1274294== by 0x12BEB2E18: 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) ==1274294== by 0x12BEB7762: 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) ==1274294== by 0x12BE67246: 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) ==1274294== by 0x12BDC76C7: 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) ==1274294== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274294== Address 0xa8f7bbc0 is 0 bytes inside a block of size 1,024 alloc'd ==1274294== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274294== by 0x12C783B11: 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_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12C65754D: 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_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12C658C83: 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_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12C641DE7: 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_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12BEB1F1E: 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) ==1274294== by 0x12BEB2E18: 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) ==1274294== by 0x12BEB7762: 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) ==1274294== by 0x12BE67246: 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) ==1274294== by 0x12BDC76C7: 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) ==1274294== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274294== ==1274294== Mismatched free() / delete / delete [] ==1274294== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274294== by 0x12C77EDBD: 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_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12C657578: 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_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12C658C83: 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_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12C641DE7: 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_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12BEB1F1E: 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) ==1274294== by 0x12BEB2E18: 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) ==1274294== by 0x12BEB7762: 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) ==1274294== by 0x12BE67246: 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) ==1274294== by 0x12BDC76C7: 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) ==1274294== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274294== Address 0xa8f7cc60 is 0 bytes inside a block of size 1,024 alloc'd ==1274294== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274294== by 0x12C77EB9B: 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_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12C657578: 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_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12C658C83: 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_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12C641DE7: 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_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_444394830472_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274294== by 0x12BEB1F1E: 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) ==1274294== by 0x12BEB2E18: 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) ==1274294== by 0x12BEB7762: 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) ==1274294== by 0x12BE67246: 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) ==1274294== by 0x12BDC76C7: 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) ==1274294== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274294== ==1274294== ==1274294== HEAP SUMMARY: ==1274294== in use at exit: 2,257,591 bytes in 1,700 blocks ==1274294== total heap usage: 49,599 allocs, 47,899 frees, 74,170,169 bytes allocated ==1274294== ==1274294== LEAK SUMMARY: ==1274294== definitely lost: 0 bytes in 0 blocks ==1274294== indirectly lost: 0 bytes in 0 blocks ==1274294== possibly lost: 180,827 bytes in 103 blocks ==1274294== still reachable: 2,076,732 bytes in 1,596 blocks ==1274294== of which reachable via heuristic: ==1274294== stdstring : 38 bytes in 1 blocks ==1274294== suppressed: 32 bytes in 1 blocks ==1274294== Rerun with --leak-check=full to see details of leaked memory ==1274294== ==1274294== For lists of detected and suppressed errors, rerun with: -s ==1274294== ERROR SUMMARY: 8 errors from 2 contexts (suppressed: 7774 from 548) ================================================================================ 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.