!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_SaLee_2008_NbFe__MO_162036141261_001 Supported species : Fe Nb random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -2.8032581516935737 Forces: 1 -5.34259499e+00 -5.58284513e+00 -8.66926886e+00 2 -5.51122063e+00 9.29786643e+00 -5.22871928e+00 3 1.83245194e+00 -6.64801509e+00 5.16254607e+00 4 -4.75131848e+00 5.38944126e+00 3.12180878e+00 5 -1.32971744e-01 -1.55006147e+01 -2.72765542e+00 6 9.96739666e+00 7.58797710e+00 -7.92221359e+00 7 5.60009514e+00 -2.42573588e+01 -1.98465705e+01 8 -1.13113445e+01 -1.13621104e+01 -4.00313361e+00 9 -2.40179090e+00 -1.13411100e+01 -1.24021339e+01 10 -3.70572582e+00 1.03799077e+01 -1.38091594e+01 11 -7.64298544e+00 -6.42125057e+00 -9.68969107e+00 12 -8.27501263e+00 1.05426581e+01 1.05339374e+01 13 -9.40714834e+00 -1.09234866e+01 -3.25020892e+01 14 5.84183570e+00 7.57983287e+00 -4.92449223e+00 15 3.05574671e+01 -9.76157887e+00 3.88471590e+00 16 2.99084357e+00 2.49404560e+01 7.90467228e+00 17 -9.38993390e+00 -6.53124368e+00 -4.79684267e+00 18 4.00731895e+00 2.32391864e+00 2.11049268e+00 19 4.32364737e+00 -7.62752697e+00 5.94906591e+00 20 -3.59374785e+00 5.22178527e+00 5.39545828e+00 21 -9.80152772e+00 -7.98783461e+00 6.61330026e+00 22 1.65936186e+01 1.81404319e+01 1.97107322e+01 23 2.12633101e+00 -5.69731153e-01 3.44197684e+00 24 1.34808883e+00 1.70226402e+00 2.93970358e+00 25 -1.71161052e+01 -5.27466170e+00 -4.92643160e+00 26 -4.93106654e+00 1.89232535e+01 -5.38108781e+00 27 1.35669031e+01 -2.62226477e+01 1.37889113e+01 28 -2.21820712e+01 2.15210756e+01 7.25001140e+00 29 -1.57462122e+00 -6.89335975e+00 1.16829061e+01 30 8.14783830e+00 1.33924134e+01 8.02729020e+00 31 1.24416448e+01 -4.84186976e+00 7.52352221e+00 32 7.72570593e+00 1.08039637e+01 1.17884378e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -2.8032581516935737 Forces: 1 -5.34259499e+00 -5.58284513e+00 -8.66926886e+00 2 -5.51122063e+00 9.29786643e+00 -5.22871928e+00 3 1.83245194e+00 -6.64801509e+00 5.16254607e+00 4 -4.75131848e+00 5.38944126e+00 3.12180878e+00 5 -1.32971744e-01 -1.55006147e+01 -2.72765542e+00 6 9.96739666e+00 7.58797710e+00 -7.92221359e+00 7 5.60009514e+00 -2.42573588e+01 -1.98465705e+01 8 -1.13113445e+01 -1.13621104e+01 -4.00313361e+00 9 -2.40179090e+00 -1.13411100e+01 -1.24021339e+01 10 -3.70572582e+00 1.03799077e+01 -1.38091594e+01 11 -7.64298544e+00 -6.42125057e+00 -9.68969107e+00 12 -8.27501263e+00 1.05426581e+01 1.05339374e+01 13 -9.40714834e+00 -1.09234866e+01 -3.25020892e+01 14 5.84183570e+00 7.57983287e+00 -4.92449223e+00 15 3.05574671e+01 -9.76157887e+00 3.88471590e+00 16 2.99084357e+00 2.49404560e+01 7.90467228e+00 17 -9.38993390e+00 -6.53124368e+00 -4.79684267e+00 18 4.00731895e+00 2.32391864e+00 2.11049268e+00 19 4.32364737e+00 -7.62752697e+00 5.94906591e+00 20 -3.59374785e+00 5.22178527e+00 5.39545828e+00 21 -9.80152772e+00 -7.98783461e+00 6.61330026e+00 22 1.65936186e+01 1.81404319e+01 1.97107322e+01 23 2.12633101e+00 -5.69731153e-01 3.44197684e+00 24 1.34808883e+00 1.70226402e+00 2.93970358e+00 25 -1.71161052e+01 -5.27466170e+00 -4.92643160e+00 26 -4.93106654e+00 1.89232535e+01 -5.38108781e+00 27 1.35669031e+01 -2.62226477e+01 1.37889113e+01 28 -2.21820712e+01 2.15210756e+01 7.25001140e+00 29 -1.57462122e+00 -6.89335975e+00 1.16829061e+01 30 8.14783830e+00 1.33924134e+01 8.02729020e+00 31 1.24416448e+01 -4.84186976e+00 7.52352221e+00 32 7.72570593e+00 1.08039637e+01 1.17884378e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Nb (Configuration in file "config-F-Nb.xyz") ----------------------------------------------------------------------------------------------------- Energy = -24.058117553873785 Forces: 1 -8.29758250e+00 -7.45577533e+00 -3.04348841e+00 2 -1.33669253e+01 -8.32018878e+00 -3.07585772e+01 3 -2.37719835e+00 -2.21346726e+01 2.64154918e+00 4 -2.75647743e+01 -7.77301674e+00 1.03529951e+00 5 1.03066635e+01 -1.59733343e+01 -1.10128334e+01 6 1.60774265e+01 -3.28729805e+00 -1.17205833e+01 7 7.15668179e+00 -8.56210931e+00 3.48565338e-01 8 1.14361956e+01 -1.48858006e+01 8.01072322e+00 9 -1.52811060e+01 4.80396763e+00 -1.30042167e+01 10 -3.38362037e+00 1.49997210e+01 -9.19398835e+00 11 -2.98526045e+00 8.84513433e+00 8.53697311e+00 12 -2.16374986e+01 1.74472855e+01 -1.35316778e+01 13 1.06103455e+01 9.54583807e+00 -3.07437930e+01 14 5.67311084e+00 4.93445217e+00 -3.59979745e+00 15 2.01168576e+01 2.77374553e+00 4.52137580e+00 16 6.02768784e+00 1.81762967e+01 5.54548663e-01 17 -1.14866456e+01 -8.81381713e+00 -4.38341732e+00 18 -4.49974667e+00 -5.36979417e+00 6.06236551e+00 19 1.95650250e+00 -1.36149118e+01 1.18600004e+01 20 -1.22603465e+01 -2.83390142e+00 9.66411372e+00 21 2.37592676e+00 -1.29435493e+01 9.03245483e-01 22 1.42415705e+01 -1.21217906e-01 2.65080726e-01 23 3.37052772e+00 -3.46788476e+00 1.94329489e+00 24 2.15889602e+00 -3.14868977e+00 1.48722249e+01 25 -1.95388394e+01 -2.09016557e+00 -7.40855601e+00 26 1.19578266e+01 2.34012398e+01 9.21649634e+00 27 -2.38882362e-01 3.21049866e+00 2.49051389e+01 28 -1.03819080e+01 6.21414531e+00 1.49848841e+01 29 1.17243497e+01 1.10796304e+01 3.53002385e+00 30 4.32994524e+00 4.18724900e+00 1.06052353e+00 31 9.06492072e+00 3.90706585e+00 6.54324648e+00 32 4.71489949e+00 7.26985770e+00 6.94125517e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Nb (Configuration in file "config-T-Nb.xyz") ----------------------------------------------------------------------------------------------------- Energy = -24.058117553873785 Forces: 1 -8.29758250e+00 -7.45577533e+00 -3.04348841e+00 2 -1.33669253e+01 -8.32018878e+00 -3.07585772e+01 3 -2.37719835e+00 -2.21346726e+01 2.64154918e+00 4 -2.75647743e+01 -7.77301674e+00 1.03529951e+00 5 1.03066635e+01 -1.59733343e+01 -1.10128334e+01 6 1.60774265e+01 -3.28729805e+00 -1.17205833e+01 7 7.15668179e+00 -8.56210931e+00 3.48565338e-01 8 1.14361956e+01 -1.48858006e+01 8.01072322e+00 9 -1.52811060e+01 4.80396763e+00 -1.30042167e+01 10 -3.38362037e+00 1.49997210e+01 -9.19398835e+00 11 -2.98526045e+00 8.84513433e+00 8.53697311e+00 12 -2.16374986e+01 1.74472855e+01 -1.35316778e+01 13 1.06103455e+01 9.54583807e+00 -3.07437930e+01 14 5.67311084e+00 4.93445217e+00 -3.59979745e+00 15 2.01168576e+01 2.77374553e+00 4.52137580e+00 16 6.02768784e+00 1.81762967e+01 5.54548663e-01 17 -1.14866456e+01 -8.81381713e+00 -4.38341732e+00 18 -4.49974667e+00 -5.36979417e+00 6.06236551e+00 19 1.95650250e+00 -1.36149118e+01 1.18600004e+01 20 -1.22603465e+01 -2.83390142e+00 9.66411372e+00 21 2.37592676e+00 -1.29435493e+01 9.03245483e-01 22 1.42415705e+01 -1.21217906e-01 2.65080726e-01 23 3.37052772e+00 -3.46788476e+00 1.94329489e+00 24 2.15889602e+00 -3.14868977e+00 1.48722249e+01 25 -1.95388394e+01 -2.09016557e+00 -7.40855601e+00 26 1.19578266e+01 2.34012398e+01 9.21649634e+00 27 -2.38882362e-01 3.21049866e+00 2.49051389e+01 28 -1.03819080e+01 6.21414531e+00 1.49848841e+01 29 1.17243497e+01 1.10796304e+01 3.53002385e+00 30 4.32994524e+00 4.18724900e+00 1.06052353e+00 31 9.06492072e+00 3.90706585e+00 6.54324648e+00 32 4.71489949e+00 7.26985770e+00 6.94125517e+00 MIXED STRUCTURE (pbc=False)-- Species = Fe Nb (Configuration in file "config-F-FeNb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 20.733214663063443 Forces: 1 -8.15762061e+00 -5.71072228e+00 -8.85232229e+00 2 -1.92970420e+01 -1.65914335e+00 -3.08115389e+01 3 7.02472533e+00 -4.36489827e+01 -2.14986308e+01 4 -3.98531784e+01 7.27352083e+00 -1.00197064e+01 5 4.06145668e+00 -1.24231978e+01 -1.38467884e+01 6 1.19592751e+01 2.25947856e+00 -1.35721836e+01 7 7.48293548e+00 -1.14201251e+01 -1.25078017e+00 8 2.59999935e+01 3.02571633e+00 1.39581706e+00 9 -1.17605964e+01 1.01522786e+00 -7.88139819e+00 10 -2.12784814e+00 7.48252451e+00 -4.10297008e+00 11 -1.24244454e+01 1.74043007e+01 -7.42739604e+00 12 -4.23994332e+00 7.05045076e+00 -7.87829154e-01 13 1.36086408e+01 1.15159250e+01 -1.82503144e+01 14 1.50022784e+01 3.50641777e+00 -1.33761002e+01 15 1.32022404e+01 6.29345179e+00 -2.36289061e+00 16 -7.74796112e+00 1.00213407e+01 1.01072270e+01 17 -2.61223217e+01 -1.66599633e+01 1.59789299e+01 18 -7.34078835e+00 1.93455584e+01 1.73236372e+01 19 -4.30606126e+00 -1.26762837e+01 1.62217701e+01 20 -1.90014963e+01 -1.56949334e+01 1.92476632e+01 21 2.43883405e+01 -3.41136816e+01 6.91615504e+00 22 1.94986823e+01 2.23920511e-02 3.43569016e-01 23 7.71637523e+00 -8.90944485e+00 6.24130279e+00 24 -3.65222509e-02 2.28768219e+00 2.31925751e+01 25 -1.53676405e+01 6.15812105e+00 -1.26829486e+01 26 -5.95627885e+00 1.86839116e+01 5.12334805e+00 27 1.56225199e+01 9.51402033e+00 1.24179232e+01 28 -5.13716281e+00 1.01053334e+01 7.88298129e+00 29 1.11312217e+01 2.47055107e+00 9.56416858e+00 30 5.23191723e+00 1.26211343e+01 -4.40385456e+00 31 6.04884453e+00 5.86991748e-02 1.09727320e+01 32 8.97460481e-01 4.80071980e+00 8.19785288e+00 MIXED STRUCTURE (pbc=True)-- Species = Fe Nb (Configuration in file "config-T-FeNb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 149.59020230059934 Forces: 1 -9.91305223e+00 1.09499179e-01 -8.15207000e+00 2 -1.44641778e+01 -5.14992016e+00 -9.82290037e+00 3 1.48051613e+01 -2.56527105e+01 -1.22128761e+01 4 -1.99304576e+01 2.02308043e+01 -7.14281352e+00 5 1.03703342e+01 2.44766873e+00 -3.43246682e-01 6 3.25877147e+00 3.73503677e+00 -3.70531109e+00 7 -1.08503402e+01 -4.86417740e+00 9.62229186e-01 8 2.32359317e+01 4.54487435e+00 5.00944538e+00 9 -8.39790147e+00 1.94196994e+00 7.76009280e-01 10 -1.86672849e+00 -1.46500075e+01 -3.67612483e+00 11 -1.14065998e+01 1.59607759e+01 -6.33692301e+00 12 -9.21091821e+00 -1.87235313e+01 8.75247194e+00 13 1.75505381e+01 1.36876163e+01 -1.88392687e+00 14 1.32283483e+01 -2.95087021e+00 -1.28594501e+01 15 4.99730713e+00 6.09884294e+00 -2.30872452e-01 16 -4.92348516e+00 -2.00830769e+00 1.15423932e+01 17 -1.58529948e+01 -9.62422742e+00 1.36671511e+01 18 -4.82315259e+00 2.39064950e+01 1.42662606e+01 19 -2.04337276e+00 -1.89147590e+00 2.44694749e+00 20 -8.69781920e+00 -1.27294757e+01 1.01617012e+01 21 2.40202665e+01 -2.62980019e+01 5.73896857e+00 22 2.80731427e+00 4.23259516e+00 -5.83927964e+00 23 3.10775408e+00 -7.57423398e+00 6.54453577e+00 24 -5.25978016e+00 7.61025391e+00 9.01134615e+00 25 -1.17390762e+00 6.83932074e+00 -1.70969610e+01 26 -4.49190347e+00 6.33183911e+00 1.96356636e+00 27 1.21928290e+01 1.33513692e+01 -9.96128918e+00 28 1.83390006e+00 6.92299460e+00 5.87703554e+00 29 1.04568067e+01 1.50464057e+00 8.17160107e+00 30 -3.42875979e+00 3.53921292e+00 -1.24191164e+01 31 -1.08600743e+01 3.19641430e-01 7.17042226e+00 32 5.73016308e+00 -1.11985113e+01 -3.78923733e-01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==155928== Memcheck, a memory error detector ==155928== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==155928== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==155928== Command: python runner2.py MEAM_LAMMPS_SaLee_2008_NbFe__MO_162036141261_001 ==155928== ==157045== Warning: invalid file descriptor 255988 in syscall close() ==157045== Warning: invalid file descriptor 255989 in syscall close() ==157045== Warning: invalid file descriptor 255990 in syscall close() ==157045== Warning: invalid file descriptor 255991 in syscall close() ==157045== Use --log-fd= to select an alternative log fd. ==157045== Warning: invalid file descriptor 255992 in syscall close() ==157045== Warning: invalid file descriptor 255993 in syscall close() ==155928== Mismatched free() / delete / delete [] ==155928== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==155928== by 0x119CE839C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x119BBB54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x119BBCC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x119BA5DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x119BA95CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x4284DF1E: 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) ==155928== by 0x4284EE18: 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) ==155928== by 0x42853762: 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) ==155928== by 0x42803246: 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) ==155928== by 0x2F4954C7: 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) ==155928== by 0x2F4A92E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==155928== Address 0x920e9b90 is 0 bytes inside a block of size 1,024 alloc'd ==155928== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==155928== by 0x119CE7B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x119BBB54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x119BBCC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x119BA5DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x119BA95CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x4284DF1E: 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) ==155928== by 0x4284EE18: 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) ==155928== by 0x42853762: 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) ==155928== by 0x42803246: 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) ==155928== by 0x2F4954C7: 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) ==155928== by 0x2F4A92E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==155928== ==155928== Mismatched free() / delete / delete [] ==155928== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==155928== by 0x119CE2DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x119BBB578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x119BBCC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x119BA5DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x119BA95CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x4284DF1E: 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) ==155928== by 0x4284EE18: 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) ==155928== by 0x42853762: 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) ==155928== by 0x42803246: 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) ==155928== by 0x2F4954C7: 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) ==155928== by 0x2F4A92E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==155928== Address 0x920eae20 is 0 bytes inside a block of size 1,024 alloc'd ==155928== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==155928== by 0x119CE2BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x119BBB578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x119BBCC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x119BA5DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x119BA95CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-a06b2836-ca21-4c14-aee6-70e0ac62200d-007-32fbcb30-96d8-4900-bd44-9ba95509d866/VC_561022993723_003-and-MO_162036141261_001-1657579160/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==155928== by 0x4284DF1E: 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) ==155928== by 0x4284EE18: 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) ==155928== by 0x42853762: 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) ==155928== by 0x42803246: 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) ==155928== by 0x2F4954C7: 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) ==155928== by 0x2F4A92E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==155928== ==155928== ==155928== HEAP SUMMARY: ==155928== in use at exit: 2,203,207 bytes in 1,644 blocks ==155928== total heap usage: 95,524 allocs, 93,880 frees, 120,161,038 bytes allocated ==155928== ==155928== LEAK SUMMARY: ==155928== definitely lost: 0 bytes in 0 blocks ==155928== indirectly lost: 0 bytes in 0 blocks ==155928== possibly lost: 198,622 bytes in 101 blocks ==155928== still reachable: 2,004,553 bytes in 1,542 blocks ==155928== suppressed: 32 bytes in 1 blocks ==155928== Rerun with --leak-check=full to see details of leaked memory ==155928== ==155928== For lists of detected and suppressed errors, rerun with: -s ==155928== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9325 from 553) ================================================================================ To pass this verification check the number of bytes that are "definitely lost" or "indirectly lost" must be zero. NOTE that Valgrind will typically report non-zero "possibly lost" bytes due to Python's internal memory allocation and garbage collection that it does not monitor. Full Valgrind output written to auxiliary file "valgrind.out" Grade: P Comment: No memory leak detected.