!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Ag__MO_969318541747_000 Supported species : Ag random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ag (Configuration in file "config-F-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 277.0318969165718 Forces: 1 -4.84003869e+00 -1.98899241e+01 -2.08016713e+01 2 -1.81838208e+01 1.29376091e+01 -1.93000123e+01 3 1.08012352e+01 -2.28799416e+01 -9.27582116e+00 4 -1.86238737e+01 1.63058534e+01 1.12063963e+01 5 -6.67631859e-01 -3.90691963e+01 -9.03857433e+00 6 2.09652305e+01 1.41381351e+01 -2.18038175e+01 7 7.76395603e+00 -5.75361785e+01 -4.50369620e+01 8 -2.51480337e+01 -3.13445584e+01 1.27293488e+00 9 -2.73330287e+01 -1.36667960e+01 -3.40620715e+01 10 -1.42908271e+01 6.25239574e+01 -4.28629830e+01 11 -3.13838460e+01 -3.71169303e+01 3.88353905e+01 12 -2.70478850e+01 3.19066496e+01 1.08954335e+01 13 2.60402099e+01 -3.15748358e+01 -7.64292458e+01 14 2.32329746e+01 2.05092769e+01 -1.71938413e+01 15 7.83281651e+01 -3.71267774e+01 -1.32006930e+01 16 -2.49462289e+01 6.77254462e+01 1.89363738e+01 17 -3.71126399e+01 -1.90618661e+01 -1.17702342e+01 18 1.25162534e+01 2.59303807e+01 -1.20543766e+01 19 7.48281061e+00 -3.44232032e+01 2.51470250e+01 20 -1.66572602e+01 1.79305480e+01 2.22248392e+01 21 -3.15737221e+01 -3.08803374e+01 1.11777200e+01 22 5.94306080e+01 5.90113683e+01 4.86782035e+01 23 1.04694367e+01 -5.06493207e+00 1.38367624e+01 24 1.20706506e+01 1.07070968e+01 1.72260578e+01 25 -1.95358328e+01 -2.38009942e+01 -9.35173312e+00 26 -2.98277283e+00 3.26488934e+01 -3.14405621e+01 27 3.28480576e+01 -6.98197585e+01 1.89485690e+01 28 -7.13055743e+01 6.44031680e+01 3.32752370e+01 29 -2.59175421e+01 -2.79826507e+01 1.07742826e+01 30 4.36644332e+01 3.88994553e+01 2.95517117e+01 31 3.20574794e+01 -1.43729108e+01 1.95578093e+01 32 1.98790579e+01 4.00339532e+01 4.20778525e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ag (Configuration in file "config-T-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 277.0318969165718 Forces: 1 -4.84003869e+00 -1.98899241e+01 -2.08016713e+01 2 -1.81838208e+01 1.29376091e+01 -1.93000123e+01 3 1.08012352e+01 -2.28799416e+01 -9.27582116e+00 4 -1.86238737e+01 1.63058534e+01 1.12063963e+01 5 -6.67631859e-01 -3.90691963e+01 -9.03857433e+00 6 2.09652305e+01 1.41381351e+01 -2.18038175e+01 7 7.76395603e+00 -5.75361785e+01 -4.50369620e+01 8 -2.51480337e+01 -3.13445584e+01 1.27293488e+00 9 -2.73330287e+01 -1.36667960e+01 -3.40620715e+01 10 -1.42908271e+01 6.25239574e+01 -4.28629830e+01 11 -3.13838460e+01 -3.71169303e+01 3.88353905e+01 12 -2.70478850e+01 3.19066496e+01 1.08954335e+01 13 2.60402099e+01 -3.15748358e+01 -7.64292458e+01 14 2.32329746e+01 2.05092769e+01 -1.71938413e+01 15 7.83281651e+01 -3.71267774e+01 -1.32006930e+01 16 -2.49462289e+01 6.77254462e+01 1.89363738e+01 17 -3.71126399e+01 -1.90618661e+01 -1.17702342e+01 18 1.25162534e+01 2.59303807e+01 -1.20543766e+01 19 7.48281061e+00 -3.44232032e+01 2.51470250e+01 20 -1.66572602e+01 1.79305480e+01 2.22248392e+01 21 -3.15737221e+01 -3.08803374e+01 1.11777200e+01 22 5.94306080e+01 5.90113683e+01 4.86782035e+01 23 1.04694367e+01 -5.06493207e+00 1.38367624e+01 24 1.20706506e+01 1.07070968e+01 1.72260578e+01 25 -1.95358328e+01 -2.38009942e+01 -9.35173312e+00 26 -2.98277283e+00 3.26488934e+01 -3.14405621e+01 27 3.28480576e+01 -6.98197585e+01 1.89485690e+01 28 -7.13055743e+01 6.44031680e+01 3.32752370e+01 29 -2.59175421e+01 -2.79826507e+01 1.07742826e+01 30 4.36644332e+01 3.88994553e+01 2.95517117e+01 31 3.20574794e+01 -1.43729108e+01 1.95578093e+01 32 1.98790579e+01 4.00339532e+01 4.20778525e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==175104== Memcheck, a memory error detector ==175104== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==175104== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==175104== Command: python runner2.py MEAM_LAMMPS_LeeShimBaskes_2003_Ag__MO_969318541747_000 ==175104== ==179056== Warning: invalid file descriptor 255988 in syscall close() ==179056== Warning: invalid file descriptor 255989 in syscall close() ==179056== Warning: invalid file descriptor 255990 in syscall close() ==179056== Warning: invalid file descriptor 255991 in syscall close() ==179056== Use --log-fd= to select an alternative log fd. ==179056== Warning: invalid file descriptor 255992 in syscall close() ==179056== Warning: invalid file descriptor 255993 in syscall close() ==175104== Mismatched free() / delete / delete [] ==175104== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==175104== by 0x119B6C39C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x119A3F54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x119A40C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x119A29DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x119A2D5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x1194AFF1E: 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) ==175104== by 0x1194B0E18: 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) ==175104== by 0x1194B5762: 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) ==175104== by 0x119465246: 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) ==175104== by 0x3A8364C7: 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) ==175104== by 0x3A84A2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==175104== Address 0x62051ce0 is 0 bytes inside a block of size 1,024 alloc'd ==175104== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==175104== by 0x119B6BB21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x119A3F54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x119A40C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x119A29DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x119A2D5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x1194AFF1E: 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) ==175104== by 0x1194B0E18: 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) ==175104== by 0x1194B5762: 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) ==175104== by 0x119465246: 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) ==175104== by 0x3A8364C7: 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) ==175104== by 0x3A84A2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==175104== ==175104== Mismatched free() / delete / delete [] ==175104== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==175104== by 0x119B66DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x119A3F578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x119A40C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x119A29DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x119A2D5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x1194AFF1E: 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) ==175104== by 0x1194B0E18: 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) ==175104== by 0x1194B5762: 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) ==175104== by 0x119465246: 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) ==175104== by 0x3A8364C7: 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) ==175104== by 0x3A84A2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==175104== Address 0x62052e20 is 0 bytes inside a block of size 1,024 alloc'd ==175104== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==175104== by 0x119B66BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x119A3F578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x119A40C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x119A29DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x119A2D5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-2e731ae7-0bb0-4955-83d9-6142f72031d0-007-ba9def26-8f0e-411d-8d63-50c96fd70001/VC_561022993723_003-and-MO_969318541747_000-1658804945/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==175104== by 0x1194AFF1E: 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) ==175104== by 0x1194B0E18: 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) ==175104== by 0x1194B5762: 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) ==175104== by 0x119465246: 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) ==175104== by 0x3A8364C7: 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) ==175104== by 0x3A84A2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==175104== ==175104== ==175104== HEAP SUMMARY: ==175104== in use at exit: 2,202,999 bytes in 1,640 blocks ==175104== total heap usage: 50,226 allocs, 48,586 frees, 79,072,825 bytes allocated ==175104== ==175104== LEAK SUMMARY: ==175104== definitely lost: 0 bytes in 0 blocks ==175104== indirectly lost: 0 bytes in 0 blocks ==175104== possibly lost: 198,622 bytes in 101 blocks ==175104== still reachable: 2,004,345 bytes in 1,538 blocks ==175104== suppressed: 32 bytes in 1 blocks ==175104== Rerun with --leak-check=full to see details of leaked memory ==175104== ==175104== For lists of detected and suppressed errors, rerun with: -s ==175104== ERROR SUMMARY: 8 errors from 2 contexts (suppressed: 9017 from 547) ================================================================================ 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.