!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! VERIFICATION CHECK: vc-memory-leak !!!!! !!!!! !!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Description: Check that the model has no memory leaks. This is tested using the Valgrind memory debugging tool (http://valgrind.org) by performing a series of energy and force calculations on a randomly distorted face-centered cubic (FCC) cube base structure for both non-periodic and periodic boundary conditions. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. Configurations used for testing are provided as auxiliary files. Author: Ellad Tadmor and Daniel S. Karls ----------------------------------------------------------------------------------------------------- Results for KIM Model : MEAM_LAMMPS_Wagner_2007_Cu__MO_313717476091_002 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 = 13.352202084557417 Forces: 1 -9.82930266e+00 -7.25529333e+00 -1.72433788e+01 2 -3.71963890e+00 3.05365937e+00 -2.34738737e+00 3 1.43876592e+01 -9.32680020e+00 5.46528536e+00 4 -3.43898885e+00 8.54100254e+00 8.01584721e+00 5 -1.63803267e+00 -8.33890867e+00 -1.32972417e+00 6 5.57878163e+00 6.12872752e+00 -2.34120554e+00 7 -4.53835137e+00 -5.34618802e+01 -4.68065412e+01 8 -2.69901816e+00 -1.26393428e+01 7.05721413e+00 9 -1.75824021e+00 -1.70486251e+01 -1.73069757e+01 10 -4.03235721e+01 2.76058785e+01 -4.33239413e+01 11 -2.89534725e+01 -1.49105217e+00 -4.63838586e+00 12 1.71703222e+00 1.39239517e+01 1.35446537e+01 13 6.41670047e+00 -1.34103457e+01 -3.61811089e+01 14 2.21450616e+00 6.00840572e+00 -5.36615273e+00 15 2.18390873e+01 -2.73487501e+00 2.04335609e+01 16 3.55119407e+01 -6.41418156e+00 3.73905405e+01 17 -1.04012328e+01 -2.47442932e+00 -7.91576795e+00 18 1.15944937e+00 3.32389221e+00 -3.01287711e+00 19 9.53138913e+00 -1.07997263e+01 4.36038894e+00 20 -8.07054996e+00 1.18164254e+01 8.01043049e+00 21 -8.34990369e+00 -8.24218720e+00 -4.63163554e+00 22 1.69052136e+01 5.39868304e+01 5.03186422e+01 23 4.48641149e+00 9.77247955e-01 2.93107620e+00 24 3.96182691e+00 -9.60059376e-01 1.71946004e+00 25 -5.60350296e+00 5.20377229e-01 1.60602858e+00 26 -7.38562692e+00 8.96110819e+00 -3.46274657e+00 27 3.04432120e+01 -4.22148394e+01 9.59942654e+00 28 -3.95548679e+01 3.63562860e+01 -1.45599194e+00 29 -7.66829026e+00 -2.51897675e-01 -4.36715390e+00 30 7.53622075e+00 1.87385509e+01 -2.32973606e+00 31 3.04795304e+01 -2.30217141e+01 1.74729653e+01 32 -8.23636935e+00 2.01438144e+01 1.61351905e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 13.352202084557417 Forces: 1 -9.82930266e+00 -7.25529333e+00 -1.72433788e+01 2 -3.71963890e+00 3.05365937e+00 -2.34738737e+00 3 1.43876592e+01 -9.32680020e+00 5.46528536e+00 4 -3.43898885e+00 8.54100254e+00 8.01584721e+00 5 -1.63803267e+00 -8.33890867e+00 -1.32972417e+00 6 5.57878163e+00 6.12872752e+00 -2.34120554e+00 7 -4.53835137e+00 -5.34618802e+01 -4.68065412e+01 8 -2.69901816e+00 -1.26393428e+01 7.05721413e+00 9 -1.75824021e+00 -1.70486251e+01 -1.73069757e+01 10 -4.03235721e+01 2.76058785e+01 -4.33239413e+01 11 -2.89534725e+01 -1.49105217e+00 -4.63838586e+00 12 1.71703222e+00 1.39239517e+01 1.35446537e+01 13 6.41670047e+00 -1.34103457e+01 -3.61811089e+01 14 2.21450616e+00 6.00840572e+00 -5.36615273e+00 15 2.18390873e+01 -2.73487501e+00 2.04335609e+01 16 3.55119407e+01 -6.41418156e+00 3.73905405e+01 17 -1.04012328e+01 -2.47442932e+00 -7.91576795e+00 18 1.15944937e+00 3.32389221e+00 -3.01287711e+00 19 9.53138913e+00 -1.07997263e+01 4.36038894e+00 20 -8.07054996e+00 1.18164254e+01 8.01043049e+00 21 -8.34990369e+00 -8.24218720e+00 -4.63163554e+00 22 1.69052136e+01 5.39868304e+01 5.03186422e+01 23 4.48641149e+00 9.77247955e-01 2.93107620e+00 24 3.96182691e+00 -9.60059376e-01 1.71946004e+00 25 -5.60350296e+00 5.20377229e-01 1.60602858e+00 26 -7.38562692e+00 8.96110819e+00 -3.46274657e+00 27 3.04432120e+01 -4.22148394e+01 9.59942654e+00 28 -3.95548679e+01 3.63562860e+01 -1.45599194e+00 29 -7.66829026e+00 -2.51897675e-01 -4.36715390e+00 30 7.53622075e+00 1.87385509e+01 -2.32973606e+00 31 3.04795304e+01 -2.30217141e+01 1.74729653e+01 32 -8.23636935e+00 2.01438144e+01 1.61351905e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2244901== Memcheck, a memory error detector ==2244901== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2244901== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==2244901== Command: python runner2.py MEAM_LAMMPS_Wagner_2007_Cu__MO_313717476091_002 ==2244901== ==2244901== Mismatched free() / delete / delete [] ==2244901== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2244901== by 0x14BE9441C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14BD674EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14BD68C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14BD51DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14BD5559E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14B5C5F1E: 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) ==2244901== by 0x14B5C6E18: 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) ==2244901== by 0x14B5CB762: 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) ==2244901== by 0x14B57B246: 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) ==2244901== by 0x14B4DB647: 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) ==2244901== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2244901== Address 0x14b075390 is 0 bytes inside a block of size 1,024 alloc'd ==2244901== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2244901== by 0x14BE93BA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14BD674EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14BD68C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14BD51DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14BD5559E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14B5C5F1E: 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) ==2244901== by 0x14B5C6E18: 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) ==2244901== by 0x14B5CB762: 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) ==2244901== by 0x14B57B246: 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) ==2244901== by 0x14B4DB647: 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) ==2244901== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2244901== ==2244901== Mismatched free() / delete / delete [] ==2244901== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2244901== by 0x14BE8EDDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14BD6751A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14BD68C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14BD51DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14BD5559E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14B5C5F1E: 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) ==2244901== by 0x14B5C6E18: 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) ==2244901== by 0x14B5CB762: 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) ==2244901== by 0x14B57B246: 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) ==2244901== by 0x14B4DB647: 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) ==2244901== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2244901== Address 0x14b076520 is 0 bytes inside a block of size 1,024 alloc'd ==2244901== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==2244901== by 0x14BE8EBBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14BD6751A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14BD68C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14BD51DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14BD5559E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-b1fe0d80-e206-45e3-9d3f-c2d36ac8b3e4-007-0c2aa59f-51d8-4d0c-8094-009bab42c53d/VC_561022993723_004-and-MO_313717476091_002-1683683829/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==2244901== by 0x14B5C5F1E: 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) ==2244901== by 0x14B5C6E18: 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) ==2244901== by 0x14B5CB762: 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) ==2244901== by 0x14B57B246: 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) ==2244901== by 0x14B4DB647: 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) ==2244901== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==2244901== ==2244901== Conditional jump or move depends on uninitialised value(s) ==2244901== at 0x699E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2244901== by 0x6A9AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2244901== by 0x6AA3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2244901== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==2244901== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==2244901== by 0x69B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==2244901== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==2244901== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==2244901== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==2244901== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==2244901== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==2244901== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==2244901== ==2244901== ==2244901== HEAP SUMMARY: ==2244901== in use at exit: 2,273,287 bytes in 1,703 blocks ==2244901== total heap usage: 60,892 allocs, 59,189 frees, 87,638,757 bytes allocated ==2244901== ==2244901== LEAK SUMMARY: ==2244901== definitely lost: 0 bytes in 0 blocks ==2244901== indirectly lost: 0 bytes in 0 blocks ==2244901== possibly lost: 188,754 bytes in 107 blocks ==2244901== still reachable: 2,084,501 bytes in 1,595 blocks ==2244901== of which reachable via heuristic: ==2244901== stdstring : 38 bytes in 1 blocks ==2244901== suppressed: 32 bytes in 1 blocks ==2244901== Rerun with --leak-check=full to see details of leaked memory ==2244901== ==2244901== Use --track-origins=yes to see where uninitialised values come from ==2244901== For lists of detected and suppressed errors, rerun with: -s ==2244901== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 17931 from 605) ================================================================================ 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.