!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_EtesamiAsadi_2018_Ni__MO_937008984446_002 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -11.200356067194507 Forces: 1 -1.32537506e+01 -1.90144660e+01 -3.67548963e+01 2 -7.30715012e+00 9.34053012e+00 -3.43234505e+00 3 3.82136486e+01 -2.41199909e+01 1.76837061e+01 4 -2.66494988e+01 4.02665899e+01 1.66900857e+01 5 1.00645798e+00 -1.49644416e+01 1.54543908e+00 6 6.54075508e+00 7.35159391e+00 -2.22850029e+00 7 -2.33119167e+00 -5.66921849e+01 -5.81547725e+01 8 -9.57936195e+00 -1.20736005e+01 6.09465447e-01 9 -4.55443391e+00 -3.22154865e+00 -2.81680966e+00 10 -1.10064245e+01 1.32405726e+01 -1.55605208e+01 11 -8.47299667e+00 -1.30915231e+01 5.12759027e+00 12 -6.27550779e+00 2.31127737e+01 -1.65345049e+01 13 -1.12070639e+01 -1.17092826e+01 -4.36977310e+01 14 5.21351716e+00 7.88120384e+00 -5.50543858e+00 15 3.15519499e+01 -1.57244955e+01 1.55108369e+01 16 8.47818398e+00 2.11938405e+01 1.88999121e+01 17 -8.63252142e+00 -9.68908312e+00 -6.89870427e+00 18 3.05388479e+00 1.11299910e+01 -1.11031121e+01 19 -3.56614194e+00 -1.57809864e+01 8.57894396e+00 20 -3.65973302e+00 7.41596602e+00 8.90812913e+00 21 -7.30950415e+00 -7.44268304e+00 -3.62613257e+00 22 1.60585910e+01 5.67981441e+01 5.55274443e+01 23 3.84372832e+00 -3.31660999e-01 5.85836013e+00 24 1.17082631e+01 7.02036409e+00 7.17760121e+00 25 9.23336585e-01 -1.69276869e+01 2.20732679e+01 26 -7.42992533e+00 8.99466410e+00 -8.78461122e+00 27 3.43266650e+01 -4.85126857e+01 6.26127696e+00 28 -4.53324017e+01 3.97683456e+01 1.08012929e+00 29 -1.09286434e+01 -8.25779523e+00 -1.19862426e+01 30 3.82164869e+00 1.23941780e+01 1.16713634e+01 31 1.78035669e+01 -2.50568259e+00 9.48181551e+00 32 4.95205366e+00 1.41510401e+01 1.43989544e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -11.200356067194507 Forces: 1 -1.32537506e+01 -1.90144660e+01 -3.67548963e+01 2 -7.30715012e+00 9.34053012e+00 -3.43234505e+00 3 3.82136486e+01 -2.41199909e+01 1.76837061e+01 4 -2.66494988e+01 4.02665899e+01 1.66900857e+01 5 1.00645798e+00 -1.49644416e+01 1.54543908e+00 6 6.54075508e+00 7.35159391e+00 -2.22850029e+00 7 -2.33119167e+00 -5.66921849e+01 -5.81547725e+01 8 -9.57936195e+00 -1.20736005e+01 6.09465447e-01 9 -4.55443391e+00 -3.22154865e+00 -2.81680966e+00 10 -1.10064245e+01 1.32405726e+01 -1.55605208e+01 11 -8.47299667e+00 -1.30915231e+01 5.12759027e+00 12 -6.27550779e+00 2.31127737e+01 -1.65345049e+01 13 -1.12070639e+01 -1.17092826e+01 -4.36977310e+01 14 5.21351716e+00 7.88120384e+00 -5.50543858e+00 15 3.15519499e+01 -1.57244955e+01 1.55108369e+01 16 8.47818398e+00 2.11938405e+01 1.88999121e+01 17 -8.63252142e+00 -9.68908312e+00 -6.89870427e+00 18 3.05388479e+00 1.11299910e+01 -1.11031121e+01 19 -3.56614194e+00 -1.57809864e+01 8.57894396e+00 20 -3.65973302e+00 7.41596602e+00 8.90812913e+00 21 -7.30950415e+00 -7.44268304e+00 -3.62613257e+00 22 1.60585910e+01 5.67981441e+01 5.55274443e+01 23 3.84372832e+00 -3.31660999e-01 5.85836013e+00 24 1.17082631e+01 7.02036409e+00 7.17760121e+00 25 9.23336585e-01 -1.69276869e+01 2.20732679e+01 26 -7.42992533e+00 8.99466410e+00 -8.78461122e+00 27 3.43266650e+01 -4.85126857e+01 6.26127696e+00 28 -4.53324017e+01 3.97683456e+01 1.08012929e+00 29 -1.09286434e+01 -8.25779523e+00 -1.19862426e+01 30 3.82164869e+00 1.23941780e+01 1.16713634e+01 31 1.78035669e+01 -2.50568259e+00 9.48181551e+00 32 4.95205366e+00 1.41510401e+01 1.43989544e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1815866== Memcheck, a memory error detector ==1815866== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1815866== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1815866== Command: python runner2.py MEAM_LAMMPS_EtesamiAsadi_2018_Ni__MO_937008984446_002 ==1815866== ==1815866== Mismatched free() / delete / delete [] ==1815866== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1815866== by 0x14BE8C41C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== 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) ==1815866== 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) ==1815866== 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) ==1815866== 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) ==1815866== 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) ==1815866== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==1815866== Address 0x14b075370 is 0 bytes inside a block of size 1,024 alloc'd ==1815866== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1815866== by 0x14BE8BBA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== 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) ==1815866== 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) ==1815866== 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) ==1815866== 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) ==1815866== 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) ==1815866== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==1815866== ==1815866== Mismatched free() / delete / delete [] ==1815866== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1815866== by 0x14BE86DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== 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) ==1815866== 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) ==1815866== 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) ==1815866== 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) ==1815866== 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) ==1815866== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==1815866== Address 0x14b076140 is 0 bytes inside a block of size 1,024 alloc'd ==1815866== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1815866== by 0x14BE86BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-84b3a470-1330-4d5c-b9cc-2ab8e6682448-007-ef1d34a4-e7a2-48a1-9fed-91e0364f2e8d/VC_561022993723_004-and-MO_937008984446_002-1683668903/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==1815866== 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) ==1815866== 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) ==1815866== 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) ==1815866== 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) ==1815866== 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) ==1815866== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==1815866== ==1815866== Conditional jump or move depends on uninitialised value(s) ==1815866== at 0x699E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==1815866== by 0x6A9AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==1815866== by 0x6AA3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==1815866== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==1815866== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==1815866== by 0x69B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==1815866== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==1815866== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==1815866== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==1815866== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==1815866== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==1815866== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==1815866== ==1815866== ==1815866== HEAP SUMMARY: ==1815866== in use at exit: 2,273,287 bytes in 1,703 blocks ==1815866== total heap usage: 60,924 allocs, 59,221 frees, 87,642,974 bytes allocated ==1815866== ==1815866== LEAK SUMMARY: ==1815866== definitely lost: 0 bytes in 0 blocks ==1815866== indirectly lost: 0 bytes in 0 blocks ==1815866== possibly lost: 188,754 bytes in 107 blocks ==1815866== still reachable: 2,084,501 bytes in 1,595 blocks ==1815866== of which reachable via heuristic: ==1815866== stdstring : 38 bytes in 1 blocks ==1815866== suppressed: 32 bytes in 1 blocks ==1815866== Rerun with --leak-check=full to see details of leaked memory ==1815866== ==1815866== Use --track-origins=yes to see where uninitialised values come from ==1815866== For lists of detected and suppressed errors, rerun with: -s ==1815866== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 17877 from 603) ================================================================================ 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.