!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! VERIFICATION CHECK: vc-memory-leak !!!!! !!!!! !!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Description: Check that the model has no memory leaks. This is tested using the Valgrind memory debugging tool (http://valgrind.org) by performing a series of energy and force calculations on a randomly distorted face-centered cubic (FCC) cube base structure for both non-periodic and periodic boundary conditions. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. Configurations used for testing are provided as auxiliary files. Author: Ellad Tadmor and Daniel S. Karls ----------------------------------------------------------------------------------------------------- Results for KIM Model : MEAM_LAMMPS_LeeBaskesKim_2001_Cr__MO_134550636109_001 Supported species : Cr random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cr (Configuration in file "config-F-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = -29.295330375722084 Forces: 1 -4.57875451e+00 -2.89016305e+00 -4.68856343e+00 2 3.74735805e-01 1.81521983e+00 -6.66411012e+00 3 3.45447536e+00 -6.80880341e+00 3.02556538e+00 4 -5.85322665e+00 5.23006338e+00 -1.06064489e+00 5 2.22475152e+00 -4.95476790e+00 -4.79902262e+00 6 2.53550898e+00 3.92784293e-01 -3.76652294e+00 7 5.59642921e+00 -8.10902368e+00 -4.09047386e+00 8 -7.25167231e+00 -9.97794307e+00 1.16645389e+00 9 -6.89312876e+00 -2.12079814e+00 -6.24369909e+00 10 -4.67657942e+00 1.33736534e+01 -8.67502486e+00 11 -7.60894216e+00 -9.28010668e+00 5.27312113e+00 12 -6.13291318e+00 5.06363134e+00 1.44674057e+00 13 1.30249765e+00 -8.36034953e+00 -2.08265076e+01 14 8.13116089e+00 7.38023354e+00 -5.47937772e+00 15 2.30492476e+01 -7.59677383e+00 5.34423931e-01 16 -4.24760003e+00 2.30941818e+01 3.11409639e+00 17 -6.49866452e+00 -5.66065120e+00 1.23988265e+00 18 2.40203677e+00 3.25538234e+00 -3.68768018e+00 19 1.43235599e+00 -6.02619038e+00 5.15582416e+00 20 -3.97613169e+00 1.97058615e+00 4.10067994e+00 21 -3.51767651e+00 -6.84661392e+00 2.64078851e+00 22 1.03545762e+01 2.63787567e+00 5.78041074e+00 23 9.67850497e-01 -6.51293456e-01 2.20336653e+00 24 2.31422282e+00 -2.82067299e+00 5.22101988e+00 25 -7.83167277e+00 -2.32713445e+00 -1.90060524e+00 26 -1.10099195e+00 9.61564528e+00 -3.26370567e+00 27 -1.62145826e+00 -4.34646653e+00 8.36762113e+00 28 -5.62849614e+00 4.67017814e+00 4.01421199e+00 29 -4.81951151e+00 -4.01757977e+00 5.02786895e+00 30 6.41510798e+00 8.19123468e+00 2.78556157e+00 31 7.94836126e+00 -1.54828662e+00 7.03981371e+00 32 3.73410180e+00 7.65294878e+00 7.00848722e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cr (Configuration in file "config-T-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = -29.295330375722084 Forces: 1 -4.57875451e+00 -2.89016305e+00 -4.68856343e+00 2 3.74735805e-01 1.81521983e+00 -6.66411012e+00 3 3.45447536e+00 -6.80880341e+00 3.02556538e+00 4 -5.85322665e+00 5.23006338e+00 -1.06064489e+00 5 2.22475152e+00 -4.95476790e+00 -4.79902262e+00 6 2.53550898e+00 3.92784293e-01 -3.76652294e+00 7 5.59642921e+00 -8.10902368e+00 -4.09047386e+00 8 -7.25167231e+00 -9.97794307e+00 1.16645389e+00 9 -6.89312876e+00 -2.12079814e+00 -6.24369909e+00 10 -4.67657942e+00 1.33736534e+01 -8.67502486e+00 11 -7.60894216e+00 -9.28010668e+00 5.27312113e+00 12 -6.13291318e+00 5.06363134e+00 1.44674057e+00 13 1.30249765e+00 -8.36034953e+00 -2.08265076e+01 14 8.13116089e+00 7.38023354e+00 -5.47937772e+00 15 2.30492476e+01 -7.59677383e+00 5.34423931e-01 16 -4.24760003e+00 2.30941818e+01 3.11409639e+00 17 -6.49866452e+00 -5.66065120e+00 1.23988265e+00 18 2.40203677e+00 3.25538234e+00 -3.68768018e+00 19 1.43235599e+00 -6.02619038e+00 5.15582416e+00 20 -3.97613169e+00 1.97058615e+00 4.10067994e+00 21 -3.51767651e+00 -6.84661392e+00 2.64078851e+00 22 1.03545762e+01 2.63787567e+00 5.78041074e+00 23 9.67850497e-01 -6.51293456e-01 2.20336653e+00 24 2.31422282e+00 -2.82067299e+00 5.22101988e+00 25 -7.83167277e+00 -2.32713445e+00 -1.90060524e+00 26 -1.10099195e+00 9.61564528e+00 -3.26370567e+00 27 -1.62145826e+00 -4.34646653e+00 8.36762113e+00 28 -5.62849614e+00 4.67017814e+00 4.01421199e+00 29 -4.81951151e+00 -4.01757977e+00 5.02786895e+00 30 6.41510798e+00 8.19123468e+00 2.78556157e+00 31 7.94836126e+00 -1.54828662e+00 7.03981371e+00 32 3.73410180e+00 7.65294878e+00 7.00848722e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==182055== Memcheck, a memory error detector ==182055== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==182055== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==182055== Command: python runner2.py MEAM_LAMMPS_LeeBaskesKim_2001_Cr__MO_134550636109_001 ==182055== ==182055== Mismatched free() / delete / delete [] ==182055== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==182055== by 0x11C68841C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11C55B4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11BDC1F1E: 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) ==182055== by 0x11BDC2E18: 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) ==182055== by 0x11BDC7762: 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) ==182055== by 0x11BD77246: 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) ==182055== by 0x11BCD7647: 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) ==182055== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==182055== Address 0x4c9c790 is 0 bytes inside a block of size 1,024 alloc'd ==182055== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==182055== by 0x11C687BA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11C55B4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11BDC1F1E: 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) ==182055== by 0x11BDC2E18: 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) ==182055== by 0x11BDC7762: 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) ==182055== by 0x11BD77246: 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) ==182055== by 0x11BCD7647: 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) ==182055== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==182055== ==182055== Mismatched free() / delete / delete [] ==182055== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==182055== by 0x11C682DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11C55B51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11BDC1F1E: 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) ==182055== by 0x11BDC2E18: 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) ==182055== by 0x11BDC7762: 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) ==182055== by 0x11BD77246: 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) ==182055== by 0x11BCD7647: 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) ==182055== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==182055== Address 0x4c9d920 is 0 bytes inside a block of size 1,024 alloc'd ==182055== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==182055== by 0x11C682BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11C55B51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11C55CC23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11C545DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11C54959E: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-11d155b0-70ba-4ccf-a115-49689446765d-007-af0e30c6-78c1-4d65-b19b-f22120b67245/VC_561022993723_004-and-MO_134550636109_001-1683689928/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==182055== by 0x11BDC1F1E: 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) ==182055== by 0x11BDC2E18: 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) ==182055== by 0x11BDC7762: 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) ==182055== by 0x11BD77246: 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) ==182055== by 0x11BCD7647: 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) ==182055== by 0x11BCED14B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==182055== ==182055== Conditional jump or move depends on uninitialised value(s) ==182055== at 0x659E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==182055== by 0x669AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==182055== by 0x66A3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==182055== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==182055== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==182055== by 0x65B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==182055== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==182055== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==182055== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==182055== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==182055== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==182055== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==182055== ==182055== ==182055== HEAP SUMMARY: ==182055== in use at exit: 2,273,287 bytes in 1,703 blocks ==182055== total heap usage: 60,893 allocs, 59,190 frees, 139,705,600 bytes allocated ==182055== ==182055== LEAK SUMMARY: ==182055== definitely lost: 0 bytes in 0 blocks ==182055== indirectly lost: 0 bytes in 0 blocks ==182055== possibly lost: 188,754 bytes in 107 blocks ==182055== still reachable: 2,084,501 bytes in 1,595 blocks ==182055== of which reachable via heuristic: ==182055== stdstring : 38 bytes in 1 blocks ==182055== suppressed: 32 bytes in 1 blocks ==182055== Rerun with --leak-check=full to see details of leaked memory ==182055== ==182055== Use --track-origins=yes to see where uninitialised values come from ==182055== For lists of detected and suppressed errors, rerun with: -s ==182055== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 16812 from 570) ================================================================================ 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.