!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Ni__MO_700541006254_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 = -23.81251788830123 Forces: 1 -5.67124702e+00 -5.53867500e+00 -1.02945953e+01 2 -1.13935379e+01 1.85517517e+01 -6.65101762e+00 3 1.12207586e+01 -8.83730786e+00 -1.07023651e+00 4 -5.55988436e+00 7.37513917e+00 2.42969841e+00 5 1.27927987e+01 -2.04968621e+01 2.64648259e+00 6 1.69362154e+00 1.31915998e+00 -2.62583994e+00 7 1.18420457e+00 -2.76899282e+01 -3.07731785e+01 8 -1.21741575e+01 -8.19518884e+00 -3.24305339e+00 9 -5.94995105e+00 -4.97651532e+00 -9.08712188e+00 10 -7.90753169e+00 1.66309250e+01 -1.60150680e+01 11 -1.93420297e+01 -1.42726209e+01 1.43316268e+01 12 -4.39286100e+00 8.07738115e+00 3.17859814e+00 13 1.38719175e+00 -1.06449266e+01 -4.27929527e+01 14 4.15414105e+00 6.80663430e+00 -3.94907687e+00 15 3.05784765e+01 -3.16975365e+00 1.73896845e+01 16 9.66580937e+00 2.38571123e+01 1.51017737e+01 17 -1.30277821e+01 -6.06527981e+00 -4.96978397e-01 18 6.04686743e+00 9.11659742e+00 -2.76721472e+00 19 3.74296467e+00 -8.47085785e+00 7.27585428e+00 20 -3.94522058e+00 6.41009043e+00 5.64789364e+00 21 -1.14117114e+01 -1.14546661e+01 6.15352425e+00 22 2.08940786e+01 2.60879989e+01 2.31636598e+01 23 3.42335905e+00 -2.23089862e+00 3.74712291e+00 24 -1.59473054e-02 4.94503134e+00 4.76331841e+00 25 -3.93220911e+00 -5.84525875e+00 -1.24693972e+00 26 -4.01754305e+00 9.70623582e+00 -8.33784176e+00 27 2.04898992e+01 -3.41980827e+01 5.98516571e+00 28 -3.11068424e+01 2.81141109e+01 6.94085005e+00 29 -6.25662190e+00 -5.73661103e+00 4.26379905e+00 30 5.68895113e+00 1.18046753e+01 -7.10151084e+00 31 7.42683703e+00 -1.18719739e+01 1.16910957e+01 32 5.71511892e+00 1.08925635e+01 1.17424782e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -23.81251788830123 Forces: 1 -5.67124702e+00 -5.53867500e+00 -1.02945953e+01 2 -1.13935379e+01 1.85517517e+01 -6.65101762e+00 3 1.12207586e+01 -8.83730786e+00 -1.07023651e+00 4 -5.55988436e+00 7.37513917e+00 2.42969841e+00 5 1.27927987e+01 -2.04968621e+01 2.64648259e+00 6 1.69362154e+00 1.31915998e+00 -2.62583994e+00 7 1.18420457e+00 -2.76899282e+01 -3.07731785e+01 8 -1.21741575e+01 -8.19518884e+00 -3.24305339e+00 9 -5.94995105e+00 -4.97651532e+00 -9.08712188e+00 10 -7.90753169e+00 1.66309250e+01 -1.60150680e+01 11 -1.93420297e+01 -1.42726209e+01 1.43316268e+01 12 -4.39286100e+00 8.07738115e+00 3.17859814e+00 13 1.38719175e+00 -1.06449266e+01 -4.27929527e+01 14 4.15414105e+00 6.80663430e+00 -3.94907687e+00 15 3.05784765e+01 -3.16975365e+00 1.73896845e+01 16 9.66580937e+00 2.38571123e+01 1.51017737e+01 17 -1.30277821e+01 -6.06527981e+00 -4.96978397e-01 18 6.04686743e+00 9.11659742e+00 -2.76721472e+00 19 3.74296467e+00 -8.47085785e+00 7.27585428e+00 20 -3.94522058e+00 6.41009043e+00 5.64789364e+00 21 -1.14117114e+01 -1.14546661e+01 6.15352425e+00 22 2.08940786e+01 2.60879989e+01 2.31636598e+01 23 3.42335905e+00 -2.23089862e+00 3.74712291e+00 24 -1.59473054e-02 4.94503134e+00 4.76331841e+00 25 -3.93220911e+00 -5.84525875e+00 -1.24693972e+00 26 -4.01754305e+00 9.70623582e+00 -8.33784176e+00 27 2.04898992e+01 -3.41980827e+01 5.98516571e+00 28 -3.11068424e+01 2.81141109e+01 6.94085005e+00 29 -6.25662190e+00 -5.73661103e+00 4.26379905e+00 30 5.68895113e+00 1.18046753e+01 -7.10151084e+00 31 7.42683703e+00 -1.18719739e+01 1.16910957e+01 32 5.71511892e+00 1.08925635e+01 1.17424782e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==3251762== Memcheck, a memory error detector ==3251762== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==3251762== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==3251762== Command: python runner2.py MEAM_LAMMPS_AsadiZaeemNouranian_2015_Ni__MO_700541006254_002 ==3251762== ==3251762== Mismatched free() / delete / delete [] ==3251762== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==3251762== by 0x14BE8C41C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== 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) ==3251762== 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) ==3251762== 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) ==3251762== 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) ==3251762== 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) ==3251762== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==3251762== Address 0x14b075400 is 0 bytes inside a block of size 1,024 alloc'd ==3251762== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==3251762== by 0x14BE8BBA1: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== by 0x14BD5F4EF: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== 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) ==3251762== 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) ==3251762== 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) ==3251762== 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) ==3251762== 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) ==3251762== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==3251762== ==3251762== Mismatched free() / delete / delete [] ==3251762== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==3251762== by 0x14BE86DDD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== 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) ==3251762== 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) ==3251762== 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) ==3251762== 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) ==3251762== 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) ==3251762== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==3251762== Address 0x14b076450 is 0 bytes inside a block of size 1,024 alloc'd ==3251762== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==3251762== by 0x14BE86BBB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== by 0x14BD5F51A: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== by 0x14BD60C23: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== by 0x14BD49DB7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== by 0x14BD4D59E: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-66d5af18-6ec7-4a70-9c76-aef892e7a0fb-007-c65e6a1e-246f-4b8e-a580-b8752f02094b/VC_561022993723_004-and-MO_700541006254_002-1683666628/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_002/libkim-api-model-driver.so) ==3251762== 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) ==3251762== 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) ==3251762== 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) ==3251762== 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) ==3251762== 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) ==3251762== by 0x14B4F114B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:939) ==3251762== ==3251762== Conditional jump or move depends on uninitialised value(s) ==3251762== at 0x699E467: NpyIter_GetInnerFixedStrideArray (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==3251762== by 0x6A9AACC: execute_ufunc_loop (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==3251762== by 0x6AA3C47: ufunc_generic_fastcall (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==3251762== by 0x5F3C40: ??? (in /usr/bin/python3.8) ==3251762== by 0x5F3F04: PyObject_CallFunctionObjArgs (in /usr/bin/python3.8) ==3251762== by 0x69B0AA5: array_add (in /usr/local/lib/python3.8/dist-packages/numpy/core/_multiarray_umath.cpython-38-x86_64-linux-gnu.so) ==3251762== by 0x50F85E: PyNumber_Add (in /usr/bin/python3.8) ==3251762== by 0x56C1D8: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==3251762== by 0x5F6835: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==3251762== by 0x56BBDE: _PyEval_EvalFrameDefault (in /usr/bin/python3.8) ==3251762== by 0x569CE9: _PyEval_EvalCodeWithName (in /usr/bin/python3.8) ==3251762== by 0x5F6A12: _PyFunction_Vectorcall (in /usr/bin/python3.8) ==3251762== ==3251762== ==3251762== HEAP SUMMARY: ==3251762== in use at exit: 2,273,255 bytes in 1,703 blocks ==3251762== total heap usage: 60,774 allocs, 59,071 frees, 87,629,445 bytes allocated ==3251762== ==3251762== LEAK SUMMARY: ==3251762== definitely lost: 0 bytes in 0 blocks ==3251762== indirectly lost: 0 bytes in 0 blocks ==3251762== possibly lost: 188,754 bytes in 107 blocks ==3251762== still reachable: 2,084,469 bytes in 1,595 blocks ==3251762== of which reachable via heuristic: ==3251762== stdstring : 38 bytes in 1 blocks ==3251762== suppressed: 32 bytes in 1 blocks ==3251762== Rerun with --leak-check=full to see details of leaked memory ==3251762== ==3251762== Use --track-origins=yes to see where uninitialised values come from ==3251762== For lists of detected and suppressed errors, rerun with: -s ==3251762== ERROR SUMMARY: 15 errors from 3 contexts (suppressed: 17954 from 657) ================================================================================ 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.