!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AsadiZaeemNouranian_2015_Cu__MO_390178379548_001 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 = -10.674951828457402 Forces: 1 -1.50142041e-01 -5.84841456e+00 -6.27925616e+00 2 -7.22762070e+00 8.77832341e+00 -2.24391823e+00 3 4.33253899e+00 -1.07453523e+01 -7.16011997e+00 4 -5.72180980e+00 4.87595981e+00 3.86528419e+00 5 6.50626774e+00 -1.20443369e+01 -5.52211191e-01 6 2.64262468e+00 2.96544248e+00 -2.24526484e+00 7 7.81693923e-01 -2.15320060e+01 -2.23149789e+01 8 -1.06296090e+01 -8.47024141e+00 -4.91138455e+00 9 -9.63794998e+00 -5.18357417e+00 -1.23179905e+01 10 -5.70337926e+00 1.61326946e+01 -1.45621664e+01 11 3.94677193e+00 -1.04784743e+01 1.03361154e+01 12 -6.93416305e+00 1.06211425e+01 2.99014958e+00 13 -4.58699303e+00 -9.38113256e+00 -2.67890009e+01 14 3.96182331e+00 6.14033675e+00 -4.54506247e+00 15 2.63391650e+01 -4.92837528e+00 1.18267611e+01 16 5.02372851e+00 1.53290538e+01 9.29157989e+00 17 -9.48986784e+00 -4.85584874e+00 -4.05341012e+00 18 2.46226348e+00 9.80370800e+00 4.96318631e+00 19 3.59937181e+00 -5.96474489e+00 5.43634837e+00 20 -3.13702659e+00 6.26303499e+00 4.43103936e+00 21 -1.32493815e+01 -9.51519433e+00 1.99208530e+00 22 1.90315642e+01 2.25082596e+01 1.87563031e+01 23 4.83594236e+00 -1.00901235e+00 6.12800306e+00 24 1.66241265e+00 5.85613281e-01 2.55055961e+00 25 -3.62259385e+00 -7.59202605e+00 -6.87508130e-01 26 -3.33763736e+00 8.60723932e+00 -8.85155497e+00 27 6.69456865e+00 -2.19910447e+01 2.70467840e+00 28 -2.02782671e+01 1.94086113e+01 1.24176561e+01 29 -6.31326982e+00 -5.08026163e+00 2.63622859e+00 30 5.42961516e+00 1.01584181e+01 -4.81299264e+00 31 6.92445707e+00 -9.76738469e+00 8.93646793e+00 32 5.84490153e+00 1.22095870e+01 1.30643738e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -10.674951828457402 Forces: 1 -1.50142041e-01 -5.84841456e+00 -6.27925616e+00 2 -7.22762070e+00 8.77832341e+00 -2.24391823e+00 3 4.33253899e+00 -1.07453523e+01 -7.16011997e+00 4 -5.72180980e+00 4.87595981e+00 3.86528419e+00 5 6.50626774e+00 -1.20443369e+01 -5.52211191e-01 6 2.64262468e+00 2.96544248e+00 -2.24526484e+00 7 7.81693923e-01 -2.15320060e+01 -2.23149789e+01 8 -1.06296090e+01 -8.47024141e+00 -4.91138455e+00 9 -9.63794998e+00 -5.18357417e+00 -1.23179905e+01 10 -5.70337926e+00 1.61326946e+01 -1.45621664e+01 11 3.94677193e+00 -1.04784743e+01 1.03361154e+01 12 -6.93416305e+00 1.06211425e+01 2.99014958e+00 13 -4.58699303e+00 -9.38113256e+00 -2.67890009e+01 14 3.96182331e+00 6.14033675e+00 -4.54506247e+00 15 2.63391650e+01 -4.92837528e+00 1.18267611e+01 16 5.02372851e+00 1.53290538e+01 9.29157989e+00 17 -9.48986784e+00 -4.85584874e+00 -4.05341012e+00 18 2.46226348e+00 9.80370800e+00 4.96318631e+00 19 3.59937181e+00 -5.96474489e+00 5.43634837e+00 20 -3.13702659e+00 6.26303499e+00 4.43103936e+00 21 -1.32493815e+01 -9.51519433e+00 1.99208530e+00 22 1.90315642e+01 2.25082596e+01 1.87563031e+01 23 4.83594236e+00 -1.00901235e+00 6.12800306e+00 24 1.66241265e+00 5.85613281e-01 2.55055961e+00 25 -3.62259385e+00 -7.59202605e+00 -6.87508130e-01 26 -3.33763736e+00 8.60723932e+00 -8.85155497e+00 27 6.69456865e+00 -2.19910447e+01 2.70467840e+00 28 -2.02782671e+01 1.94086113e+01 1.24176561e+01 29 -6.31326982e+00 -5.08026163e+00 2.63622859e+00 30 5.42961516e+00 1.01584181e+01 -4.81299264e+00 31 6.92445707e+00 -9.76738469e+00 8.93646793e+00 32 5.84490153e+00 1.22095870e+01 1.30643738e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==133366== Memcheck, a memory error detector ==133366== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==133366== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==133366== Command: python runner2.py MEAM_LAMMPS_AsadiZaeemNouranian_2015_Cu__MO_390178379548_001 ==133366== ==134138== Warning: invalid file descriptor 255988 in syscall close() ==134138== Warning: invalid file descriptor 255989 in syscall close() ==134138== Warning: invalid file descriptor 255990 in syscall close() ==134138== Warning: invalid file descriptor 255991 in syscall close() ==134138== Use --log-fd= to select an alternative log fd. ==134138== Warning: invalid file descriptor 255992 in syscall close() ==134138== Warning: invalid file descriptor 255993 in syscall close() ==133366== Mismatched free() / delete / delete [] ==133366== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==133366== by 0x4D2DB39C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x4D1AE54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x4D1AFC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x4D198DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x4D19C5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x29409F1E: 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) ==133366== by 0x2940AE18: 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) ==133366== by 0x2940F762: 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) ==133366== by 0x293BF246: 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) ==133366== by 0x20A904C7: 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) ==133366== by 0x20AA42E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==133366== Address 0x920ea230 is 0 bytes inside a block of size 1,024 alloc'd ==133366== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==133366== by 0x4D2DAB21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x4D1AE54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x4D1AFC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x4D198DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x4D19C5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x29409F1E: 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) ==133366== by 0x2940AE18: 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) ==133366== by 0x2940F762: 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) ==133366== by 0x293BF246: 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) ==133366== by 0x20A904C7: 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) ==133366== by 0x20AA42E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==133366== ==133366== Mismatched free() / delete / delete [] ==133366== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==133366== by 0x4D2D5DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x4D1AE578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x4D1AFC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x4D198DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x4D19C5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x29409F1E: 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) ==133366== by 0x2940AE18: 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) ==133366== by 0x2940F762: 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) ==133366== by 0x293BF246: 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) ==133366== by 0x20A904C7: 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) ==133366== by 0x20AA42E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==133366== Address 0x920eb370 is 0 bytes inside a block of size 1,024 alloc'd ==133366== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==133366== by 0x4D2D5BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x4D1AE578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x4D1AFC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x4D198DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x4D19C5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_390178379548_001-1639940984/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133366== by 0x29409F1E: 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) ==133366== by 0x2940AE18: 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) ==133366== by 0x2940F762: 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) ==133366== by 0x293BF246: 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) ==133366== by 0x20A904C7: 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) ==133366== by 0x20AA42E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==133366== ==133366== ==133366== HEAP SUMMARY: ==133366== in use at exit: 2,202,999 bytes in 1,640 blocks ==133366== total heap usage: 50,258 allocs, 48,618 frees, 79,076,915 bytes allocated ==133366== ==133366== LEAK SUMMARY: ==133366== definitely lost: 0 bytes in 0 blocks ==133366== indirectly lost: 0 bytes in 0 blocks ==133366== possibly lost: 198,622 bytes in 101 blocks ==133366== still reachable: 2,004,345 bytes in 1,538 blocks ==133366== suppressed: 32 bytes in 1 blocks ==133366== Rerun with --leak-check=full to see details of leaked memory ==133366== ==133366== For lists of detected and suppressed errors, rerun with: -s ==133366== ERROR SUMMARY: 8 errors from 2 contexts (suppressed: 8994 from 553) ================================================================================ 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.