!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimJeonLee_2015_MgY__MO_018428823000_001 Supported species : Mg Y random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Mg (Configuration in file "config-F-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 199.94720147435913 Forces: 1 -6.30289807e+00 -8.58188596e+00 -9.67306562e+00 2 -4.55813565e+00 8.86606437e+00 -1.37885068e+01 3 2.77137700e+00 -1.51656673e+01 -2.15501800e+00 4 -1.21262042e+01 5.33435212e+00 1.57662720e+00 5 7.47460824e+00 -1.71062193e+01 -5.32429551e+00 6 7.41608415e+00 -8.41611593e-01 -1.03881363e+01 7 6.88111061e+00 -2.02030482e+01 -1.43392285e+01 8 -8.72778843e+00 -8.50499898e+00 2.38630136e-01 9 -1.09016981e+01 -1.04306971e+01 -2.05650050e+01 10 5.45232739e-01 1.96726918e+01 -2.31662255e+01 11 -3.08660691e+00 -1.49925553e+01 3.84212690e+00 12 -1.63261795e+01 1.73911136e+01 8.90199358e+00 13 -8.60774919e+00 -9.27025268e-01 -3.19429358e+01 14 1.03391450e+01 1.51552512e+01 -9.53328692e+00 15 2.85837308e+01 -6.30073452e+00 1.40343216e+01 16 7.24727044e+00 1.86766941e+01 5.50377681e+00 17 -1.71397782e+01 -1.10277641e+01 -2.53160994e+00 18 5.56039727e+00 9.11567414e+00 1.80785939e+00 19 3.82601945e+00 -1.33575203e+01 1.02595321e+01 20 -8.79577576e+00 6.76107496e+00 1.09308951e+01 21 -8.15723437e+00 -1.51823462e+01 2.83443575e+00 22 2.08196700e+01 1.34789544e+01 1.12535284e+01 23 9.41097472e+00 -4.87455210e+00 9.56766673e+00 24 -1.19750251e+00 5.81969719e+00 1.03286413e+01 25 -1.31471904e+01 -2.61663593e+00 -2.07113572e+00 26 -4.36680203e+00 1.87726629e+01 -4.86930294e+00 27 5.31814279e+00 -2.01237839e+01 1.37089325e+01 28 -2.06066612e+01 1.70701338e+01 9.38911283e+00 29 -4.40265970e+00 -7.67920778e+00 5.09280646e+00 30 1.12571103e+01 1.45685356e+01 2.02678394e+00 31 1.41684713e+01 -6.57585923e+00 1.25687748e+01 32 6.83151924e+00 1.38092130e+01 1.64813070e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mg (Configuration in file "config-T-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 199.94720147435913 Forces: 1 -6.30289807e+00 -8.58188596e+00 -9.67306562e+00 2 -4.55813565e+00 8.86606437e+00 -1.37885068e+01 3 2.77137700e+00 -1.51656673e+01 -2.15501800e+00 4 -1.21262042e+01 5.33435212e+00 1.57662720e+00 5 7.47460824e+00 -1.71062193e+01 -5.32429551e+00 6 7.41608415e+00 -8.41611593e-01 -1.03881363e+01 7 6.88111061e+00 -2.02030482e+01 -1.43392285e+01 8 -8.72778843e+00 -8.50499898e+00 2.38630136e-01 9 -1.09016981e+01 -1.04306971e+01 -2.05650050e+01 10 5.45232739e-01 1.96726918e+01 -2.31662255e+01 11 -3.08660691e+00 -1.49925553e+01 3.84212690e+00 12 -1.63261795e+01 1.73911136e+01 8.90199358e+00 13 -8.60774919e+00 -9.27025268e-01 -3.19429358e+01 14 1.03391450e+01 1.51552512e+01 -9.53328692e+00 15 2.85837308e+01 -6.30073452e+00 1.40343216e+01 16 7.24727044e+00 1.86766941e+01 5.50377681e+00 17 -1.71397782e+01 -1.10277641e+01 -2.53160994e+00 18 5.56039727e+00 9.11567414e+00 1.80785939e+00 19 3.82601945e+00 -1.33575203e+01 1.02595321e+01 20 -8.79577576e+00 6.76107496e+00 1.09308951e+01 21 -8.15723437e+00 -1.51823462e+01 2.83443575e+00 22 2.08196700e+01 1.34789544e+01 1.12535284e+01 23 9.41097472e+00 -4.87455210e+00 9.56766673e+00 24 -1.19750251e+00 5.81969719e+00 1.03286413e+01 25 -1.31471904e+01 -2.61663593e+00 -2.07113572e+00 26 -4.36680203e+00 1.87726629e+01 -4.86930294e+00 27 5.31814279e+00 -2.01237839e+01 1.37089325e+01 28 -2.06066612e+01 1.70701338e+01 9.38911283e+00 29 -4.40265970e+00 -7.67920778e+00 5.09280646e+00 30 1.12571103e+01 1.45685356e+01 2.02678394e+00 31 1.41684713e+01 -6.57585923e+00 1.25687748e+01 32 6.83151924e+00 1.38092130e+01 1.64813070e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Y (Configuration in file "config-F-Y.xyz") ----------------------------------------------------------------------------------------------------- Energy = 342.0963130905181 Forces: 1 -7.31869650e+00 -1.23541275e+01 -1.02151218e+01 2 1.01901265e+01 -1.19348714e+00 -2.41398321e+01 3 -1.08281784e+01 -1.90032973e+01 -5.10252044e+00 4 -3.02637454e+01 -7.61001994e+00 -2.94528232e+00 5 6.98372305e+00 -1.69804329e+01 -1.66945750e+01 6 1.85882749e+01 9.17051202e-01 -1.44616681e+01 7 2.22577009e+01 -2.33384183e+01 1.70026722e+00 8 -1.23277279e+01 1.74274289e+00 -1.60682259e+01 9 -2.07026065e+01 -2.56049000e+00 -1.23084791e+01 10 7.62152209e+00 2.80344802e+01 -1.52636972e+01 11 -1.41127538e+01 5.48554192e+00 8.42747210e-01 12 -1.93236190e+01 1.49282597e+01 -3.62787903e+00 13 2.66273855e+00 -2.15402818e-01 -2.60161435e+01 14 9.46403954e+00 7.45189066e+00 -8.08986598e+00 15 1.63539909e+01 6.27107424e+00 -8.34203830e+00 16 1.01692013e+01 3.37358573e+01 -6.84413027e+00 17 -1.65973645e+01 -2.10245131e+01 9.31920882e-02 18 -9.54743784e+00 -1.16048125e+01 -1.93068999e+00 19 -5.10426548e-01 -1.66690256e+01 1.95663500e+01 20 -1.28839894e+01 1.65433128e+00 1.53293776e+01 21 1.13893324e+01 -2.50602897e+01 1.16655616e+01 22 1.81173569e+01 1.10438368e-01 1.02004011e+01 23 9.56911570e+00 -6.61999770e+00 7.78749151e+00 24 5.80479212e+00 -4.09468638e+00 2.05034235e+01 25 -3.15527068e+01 9.34463613e+00 5.46977213e+00 26 1.39483260e+01 1.92408521e+01 1.80574313e+00 27 9.50332924e+00 9.93944704e+00 3.19899427e+01 28 -1.35610168e+01 1.29187281e+01 1.22725624e+01 29 2.68493051e+00 -9.29056265e+00 4.80150281e+00 30 1.63174476e+01 1.62979727e+01 -8.28352761e+00 31 1.63879228e+01 -6.61862251e+00 1.69310179e+01 32 -8.48360137e+00 1.61648822e+01 1.93743237e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Y (Configuration in file "config-T-Y.xyz") ----------------------------------------------------------------------------------------------------- Energy = 342.0963130905181 Forces: 1 -7.31869650e+00 -1.23541275e+01 -1.02151218e+01 2 1.01901265e+01 -1.19348714e+00 -2.41398321e+01 3 -1.08281784e+01 -1.90032973e+01 -5.10252044e+00 4 -3.02637454e+01 -7.61001994e+00 -2.94528232e+00 5 6.98372305e+00 -1.69804329e+01 -1.66945750e+01 6 1.85882749e+01 9.17051202e-01 -1.44616681e+01 7 2.22577009e+01 -2.33384183e+01 1.70026722e+00 8 -1.23277279e+01 1.74274289e+00 -1.60682259e+01 9 -2.07026065e+01 -2.56049000e+00 -1.23084791e+01 10 7.62152209e+00 2.80344802e+01 -1.52636972e+01 11 -1.41127538e+01 5.48554192e+00 8.42747210e-01 12 -1.93236190e+01 1.49282597e+01 -3.62787903e+00 13 2.66273855e+00 -2.15402818e-01 -2.60161435e+01 14 9.46403954e+00 7.45189066e+00 -8.08986598e+00 15 1.63539909e+01 6.27107424e+00 -8.34203830e+00 16 1.01692013e+01 3.37358573e+01 -6.84413027e+00 17 -1.65973645e+01 -2.10245131e+01 9.31920882e-02 18 -9.54743784e+00 -1.16048125e+01 -1.93068999e+00 19 -5.10426548e-01 -1.66690256e+01 1.95663500e+01 20 -1.28839894e+01 1.65433128e+00 1.53293776e+01 21 1.13893324e+01 -2.50602897e+01 1.16655616e+01 22 1.81173569e+01 1.10438368e-01 1.02004011e+01 23 9.56911570e+00 -6.61999770e+00 7.78749151e+00 24 5.80479212e+00 -4.09468638e+00 2.05034235e+01 25 -3.15527068e+01 9.34463613e+00 5.46977213e+00 26 1.39483260e+01 1.92408521e+01 1.80574313e+00 27 9.50332924e+00 9.93944704e+00 3.19899427e+01 28 -1.35610168e+01 1.29187281e+01 1.22725624e+01 29 2.68493051e+00 -9.29056265e+00 4.80150281e+00 30 1.63174476e+01 1.62979727e+01 -8.28352761e+00 31 1.63879228e+01 -6.61862251e+00 1.69310179e+01 32 -8.48360137e+00 1.61648822e+01 1.93743237e+01 MIXED STRUCTURE (pbc=False)-- Species = Mg Y (Configuration in file "config-F-MgY.xyz") ----------------------------------------------------------------------------------------------------- Energy = 279.62808403413845 Forces: 1 -2.08931178e+01 -2.34002989e+01 -1.73843931e+01 2 9.40174256e+00 8.24760935e+00 -2.25276454e+01 3 6.75940691e-01 -2.21625642e+01 9.18014815e+00 4 -2.14009436e+01 9.95373868e+00 1.35118536e+01 5 6.52183102e+00 -1.58606196e+01 -2.04497481e+01 6 1.40197415e+01 -3.53906252e+00 -1.01239881e+01 7 1.79328645e+01 -1.14347410e+01 -4.18911489e+00 8 -4.57887126e-01 2.81279373e+00 -5.40518058e+00 9 -1.22366889e+01 -8.23120298e-01 -1.08381357e+01 10 -7.85738351e+00 1.58763227e+01 -2.06806002e+01 11 -6.44141179e+00 -1.06240414e+01 -3.97133089e+00 12 -1.64513689e+01 2.45888819e+01 -1.18387170e+01 13 1.21843833e+00 2.12081006e+00 -2.74130217e+01 14 1.01750943e+01 1.04572971e+01 -7.76321156e+00 15 1.54030944e+01 5.51651225e+00 -9.07918837e-01 16 1.15469721e+01 2.18845599e+01 -3.19248157e+00 17 -1.98703189e+01 -2.19192957e+01 -7.21301271e+00 18 9.46630208e+00 8.47863839e+00 -1.61306189e+01 19 9.88621475e+00 -1.92343901e+01 2.44947825e+01 20 -2.26842571e+01 1.61081822e+01 2.21855712e+01 21 -2.68797959e+00 -2.61096404e+01 5.83779488e+00 22 2.02886713e+01 4.23368252e+00 -2.76598242e+00 23 1.07648093e+01 -1.04327243e+01 1.17005490e+01 24 -9.57360546e+00 -4.63414454e+00 1.96169250e+01 25 -2.08754437e+01 -1.34755046e+01 1.29319567e+01 26 -4.33712274e+00 2.66567532e+01 6.83622536e+00 27 -5.59216191e+00 -5.47840395e+00 2.06824372e+01 28 -8.30982162e+00 4.70777678e+00 6.76029339e+00 29 1.28574299e+01 -5.46208508e+00 1.09846469e+01 30 1.00697470e+01 8.39286838e+00 -1.19340536e+00 31 1.09821352e+01 5.39767106e+00 1.35702340e+01 32 8.45848383e+00 1.91565384e+01 1.56950893e+01 MIXED STRUCTURE (pbc=True)-- Species = Mg Y (Configuration in file "config-T-MgY.xyz") ----------------------------------------------------------------------------------------------------- Energy = 429.29595529211775 Forces: 1 -5.04349790e+00 -1.27712636e+01 -8.70648310e+00 2 7.47116369e+00 5.80851573e+00 -5.76965671e+00 3 -1.51104220e+00 -2.72622059e+00 8.88902109e+00 4 -1.95968970e+00 1.34452964e+01 1.42042625e+01 5 -1.20809122e+00 -1.04932671e+00 -9.81169657e-02 6 -3.41979609e-01 2.14012918e+00 -1.90069418e+00 7 -1.17317170e-01 -7.63363093e+00 1.57318817e+00 8 4.30329489e-03 1.17727178e+00 -4.00168757e+00 9 3.31476912e+00 -1.22829168e+00 -4.71995060e-01 10 -3.51583486e+00 4.37403081e+00 -5.00405387e+00 11 -4.32706128e+00 -1.08597889e+01 -4.75401378e+00 12 -6.12125113e+00 1.53382601e+01 -9.96587458e+00 13 -2.41712355e-01 2.50572832e+00 -1.34796785e+01 14 1.99970100e+00 -9.27312122e+00 3.25143157e+00 15 -4.06822167e+00 4.34827297e+00 4.33547106e+00 16 1.34768305e+01 1.52246247e+00 -1.99241192e+00 17 -1.07065444e+01 -1.46951194e+01 -4.50068340e+00 18 8.36600794e+00 1.01187535e+01 -1.45454515e+01 19 1.62930038e+01 -2.39638473e+00 2.96977442e+00 20 -1.05907177e+01 1.54911705e+01 6.57554638e+00 21 -3.32983185e+00 -1.11597900e+01 5.22487719e+00 22 1.05354278e+01 5.20485494e+00 -5.17167188e+00 23 1.07763670e+00 3.14247033e-01 -3.92298433e+00 24 -9.92982409e+00 -2.67244181e+00 9.84032523e-01 25 -6.01005866e+00 -1.80722439e+01 1.10865030e+01 26 -4.44671675e+00 1.65215782e+01 7.70566967e+00 27 -5.13539112e+00 -7.55512381e+00 6.06519954e+00 28 -1.50547347e+00 -6.54247303e+00 -4.20496181e+00 29 1.22913156e+01 -5.36407357e+00 1.19240847e+01 30 -3.94743138e+00 1.67522534e+00 7.34135089e-01 31 8.62147659e-01 4.99372394e+00 -5.72724897e-01 32 8.36538138e+00 9.01977252e+00 3.53994718e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==163456== Memcheck, a memory error detector ==163456== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==163456== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==163456== Command: python runner2.py MEAM_LAMMPS_KimJeonLee_2015_MgY__MO_018428823000_001 ==163456== ==166635== Warning: invalid file descriptor 255988 in syscall close() ==166635== Warning: invalid file descriptor 255989 in syscall close() ==166635== Warning: invalid file descriptor 255990 in syscall close() ==166635== Warning: invalid file descriptor 255991 in syscall close() ==166635== Use --log-fd= to select an alternative log fd. ==166635== Warning: invalid file descriptor 255992 in syscall close() ==166635== Warning: invalid file descriptor 255993 in syscall close() ==163456== Mismatched free() / delete / delete [] ==163456== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==163456== by 0x119C7539C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x119B4854D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x119B49C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x119B32DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x119B365CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x26E16F1E: 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) ==163456== by 0x26E17E18: 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) ==163456== by 0x26E1C762: 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) ==163456== by 0x26DCC246: 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) ==163456== by 0x22ABA4C7: 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) ==163456== by 0x22ACE2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==163456== Address 0x57ce5660 is 0 bytes inside a block of size 1,024 alloc'd ==163456== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==163456== by 0x119C74B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x119B4854D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x119B49C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x119B32DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x119B365CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x26E16F1E: 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) ==163456== by 0x26E17E18: 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) ==163456== by 0x26E1C762: 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) ==163456== by 0x26DCC246: 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) ==163456== by 0x22ABA4C7: 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) ==163456== by 0x22ACE2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==163456== ==163456== Mismatched free() / delete / delete [] ==163456== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==163456== by 0x119C6FDCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x119B48578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x119B49C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x119B32DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x119B365CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x26E16F1E: 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) ==163456== by 0x26E17E18: 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) ==163456== by 0x26E1C762: 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) ==163456== by 0x26DCC246: 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) ==163456== by 0x22ABA4C7: 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) ==163456== by 0x22ACE2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==163456== Address 0x57ce68f0 is 0 bytes inside a block of size 1,024 alloc'd ==163456== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==163456== by 0x119C6FBAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x119B48578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x119B49C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x119B32DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x119B365CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-9f43ae68-0f6d-49e3-be48-74778dc6f9e7-007-9dbae28c-cc9a-4aa0-b34b-86a854f2be88/VC_561022993723_003-and-MO_018428823000_001-1653019656/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==163456== by 0x26E16F1E: 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) ==163456== by 0x26E17E18: 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) ==163456== by 0x26E1C762: 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) ==163456== by 0x26DCC246: 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) ==163456== by 0x22ABA4C7: 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) ==163456== by 0x22ACE2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==163456== ==163456== ==163456== HEAP SUMMARY: ==163456== in use at exit: 2,203,207 bytes in 1,644 blocks ==163456== total heap usage: 96,646 allocs, 95,002 frees, 120,431,231 bytes allocated ==163456== ==163456== LEAK SUMMARY: ==163456== definitely lost: 0 bytes in 0 blocks ==163456== indirectly lost: 0 bytes in 0 blocks ==163456== possibly lost: 198,622 bytes in 101 blocks ==163456== still reachable: 2,004,553 bytes in 1,542 blocks ==163456== suppressed: 32 bytes in 1 blocks ==163456== Rerun with --leak-check=full to see details of leaked memory ==163456== ==163456== For lists of detected and suppressed errors, rerun with: -s ==163456== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9249 from 552) ================================================================================ 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.