!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Cu__MO_087820130586_000 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.489464810723154 Forces: 1 -7.64672447e-01 -7.04805203e+00 -7.91470908e+00 2 -7.17519608e+00 9.14457610e+00 -3.06775360e+00 3 5.26928160e+00 -2.66189474e+00 -1.87162814e+00 4 -4.52445064e+00 5.19227903e+00 5.40281836e+00 5 4.90766435e+00 -1.39717826e+01 -1.64898202e+00 6 4.30146245e+00 4.86743105e+00 -3.55772802e+00 7 1.09045143e+01 -2.11234285e+01 -2.42635066e+01 8 -1.90806118e+01 -4.96813865e+00 -4.29260388e+00 9 -1.05358526e+01 -5.63991885e+00 -1.29721216e+01 10 -7.29680353e+00 1.98156100e+01 -1.75188951e+01 11 -3.69534496e+00 -1.60137864e+01 1.50306359e+01 12 -7.32928053e+00 1.13090322e+01 3.10946739e+00 13 -2.52831451e+00 -1.13722567e+01 -3.46467269e+01 14 4.83568061e+00 7.40917324e+00 -5.08466275e+00 15 3.14294828e+01 -9.42793906e+00 1.04661275e+01 16 5.20587835e+00 2.15611979e+01 1.14651707e+01 17 -1.18275086e+01 -6.97734292e+00 -5.09173994e+00 18 -3.35318103e+00 1.28091852e+01 -2.22737205e+01 19 3.01982753e+00 -1.63744276e+01 1.09497462e+01 20 -6.74440134e+00 7.57427073e+00 7.87929984e+00 21 -1.96108065e+01 -1.28348308e+01 1.25866418e+01 22 2.08180455e+01 1.75147060e+01 1.35985167e+01 23 5.69001822e+00 -1.01545253e+00 6.55565678e+00 24 1.40463958e+01 3.74185626e+00 1.34524977e+01 25 -3.30782854e+00 -7.93495751e+00 -7.48911377e-01 26 -3.40246066e+00 9.30939036e+00 -9.78513798e+00 27 1.39011175e+01 -2.66479765e+01 5.50529890e+00 28 -2.83710739e+01 2.41522861e+01 1.05500601e+01 29 -7.78172858e+00 -6.79181515e+00 4.71148340e+00 30 6.21573273e+00 9.24982672e+00 3.23427020e+00 31 1.04769506e+01 -6.21671135e+00 6.37474352e+00 32 6.30746386e+00 1.33698911e+01 1.38663925e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.489464810723154 Forces: 1 -7.64672447e-01 -7.04805203e+00 -7.91470908e+00 2 -7.17519608e+00 9.14457610e+00 -3.06775360e+00 3 5.26928160e+00 -2.66189474e+00 -1.87162814e+00 4 -4.52445064e+00 5.19227903e+00 5.40281836e+00 5 4.90766435e+00 -1.39717826e+01 -1.64898202e+00 6 4.30146245e+00 4.86743105e+00 -3.55772802e+00 7 1.09045143e+01 -2.11234285e+01 -2.42635066e+01 8 -1.90806118e+01 -4.96813865e+00 -4.29260388e+00 9 -1.05358526e+01 -5.63991885e+00 -1.29721216e+01 10 -7.29680353e+00 1.98156100e+01 -1.75188951e+01 11 -3.69534496e+00 -1.60137864e+01 1.50306359e+01 12 -7.32928053e+00 1.13090322e+01 3.10946739e+00 13 -2.52831451e+00 -1.13722567e+01 -3.46467269e+01 14 4.83568061e+00 7.40917324e+00 -5.08466275e+00 15 3.14294828e+01 -9.42793906e+00 1.04661275e+01 16 5.20587835e+00 2.15611979e+01 1.14651707e+01 17 -1.18275086e+01 -6.97734292e+00 -5.09173994e+00 18 -3.35318103e+00 1.28091852e+01 -2.22737205e+01 19 3.01982753e+00 -1.63744276e+01 1.09497462e+01 20 -6.74440134e+00 7.57427073e+00 7.87929984e+00 21 -1.96108065e+01 -1.28348308e+01 1.25866418e+01 22 2.08180455e+01 1.75147060e+01 1.35985167e+01 23 5.69001822e+00 -1.01545253e+00 6.55565678e+00 24 1.40463958e+01 3.74185626e+00 1.34524977e+01 25 -3.30782854e+00 -7.93495751e+00 -7.48911377e-01 26 -3.40246066e+00 9.30939036e+00 -9.78513798e+00 27 1.39011175e+01 -2.66479765e+01 5.50529890e+00 28 -2.83710739e+01 2.41522861e+01 1.05500601e+01 29 -7.78172858e+00 -6.79181515e+00 4.71148340e+00 30 6.21573273e+00 9.24982672e+00 3.23427020e+00 31 1.04769506e+01 -6.21671135e+00 6.37474352e+00 32 6.30746386e+00 1.33698911e+01 1.38663925e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==20911== Memcheck, a memory error detector ==20911== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==20911== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==20911== Command: python runner2.py MEAM_LAMMPS_LeeShimBaskes_2003_Cu__MO_087820130586_000 ==20911== ==26546== Warning: invalid file descriptor 255988 in syscall close() ==26546== Warning: invalid file descriptor 255989 in syscall close() ==26546== Warning: invalid file descriptor 255990 in syscall close() ==26546== Warning: invalid file descriptor 255991 in syscall close() ==26546== Use --log-fd= to select an alternative log fd. ==26546== Warning: invalid file descriptor 255992 in syscall close() ==26546== Warning: invalid file descriptor 255993 in syscall close() ==20911== Mismatched free() / delete / delete [] ==20911== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==20911== by 0x119CDC39C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x119BAF54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x119BB0C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x119B99DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x119B9D5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x42823F1E: 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) ==20911== by 0x42824E18: 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) ==20911== by 0x42829762: 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) ==20911== by 0x427D9246: 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) ==20911== by 0x3E29C4C7: 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) ==20911== by 0x3E2B02E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==20911== Address 0x91edc9f0 is 0 bytes inside a block of size 1,024 alloc'd ==20911== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==20911== by 0x119CDBB21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x119BAF54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x119BB0C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x119B99DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x119B9D5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x42823F1E: 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) ==20911== by 0x42824E18: 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) ==20911== by 0x42829762: 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) ==20911== by 0x427D9246: 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) ==20911== by 0x3E29C4C7: 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) ==20911== by 0x3E2B02E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==20911== ==20911== Mismatched free() / delete / delete [] ==20911== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==20911== by 0x119CD6DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x119BAF578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x119BB0C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x119B99DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x119B9D5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x42823F1E: 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) ==20911== by 0x42824E18: 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) ==20911== by 0x42829762: 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) ==20911== by 0x427D9246: 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) ==20911== by 0x3E29C4C7: 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) ==20911== by 0x3E2B02E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==20911== Address 0x91eddb30 is 0 bytes inside a block of size 1,024 alloc'd ==20911== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==20911== by 0x119CD6BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x119BAF578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x119BB0C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x119B99DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x119B9D5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-2d1e1afb-cc48-4951-bd0a-889b820f1a1e-007-e4477f7b-4eb3-4c70-83e1-b0fd12482895/VC_561022993723_003-and-MO_087820130586_000-1658805347/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==20911== by 0x42823F1E: 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) ==20911== by 0x42824E18: 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) ==20911== by 0x42829762: 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) ==20911== by 0x427D9246: 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) ==20911== by 0x3E29C4C7: 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) ==20911== by 0x3E2B02E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==20911== ==20911== ==20911== HEAP SUMMARY: ==20911== in use at exit: 2,202,999 bytes in 1,640 blocks ==20911== total heap usage: 50,226 allocs, 48,586 frees, 79,071,506 bytes allocated ==20911== ==20911== LEAK SUMMARY: ==20911== definitely lost: 0 bytes in 0 blocks ==20911== indirectly lost: 0 bytes in 0 blocks ==20911== possibly lost: 198,622 bytes in 101 blocks ==20911== still reachable: 2,004,345 bytes in 1,538 blocks ==20911== suppressed: 32 bytes in 1 blocks ==20911== Rerun with --leak-check=full to see details of leaked memory ==20911== ==20911== For lists of detected and suppressed errors, rerun with: -s ==20911== ERROR SUMMARY: 8 errors from 2 contexts (suppressed: 9057 from 549) ================================================================================ 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.