!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimLee_2017_MgPb__MO_325675357262_001 Supported species : Mg Pb 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 = Pb (Configuration in file "config-F-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 635.2132153141941 Forces: 1 -1.57364822e+01 -1.53228351e+01 -1.79652066e+01 2 2.72049802e+01 -3.19672221e+01 -4.99639151e+01 3 8.46642430e-01 -2.79268195e+01 -1.74605211e+01 4 -6.54741009e+01 -2.69902989e+01 -9.46059237e+00 5 -2.13653736e+01 -4.37983281e+01 -4.99535184e+01 6 4.56399819e+01 9.70505998e+00 -4.61680054e+01 7 5.22034758e+01 -4.66824426e+01 3.33265298e+01 8 -1.96333634e+01 1.82859572e+01 -1.02440755e+01 9 -6.15946589e+01 1.95625703e+01 -3.38890049e+01 10 -2.83355789e+01 6.68666311e+01 -8.37688827e+00 11 -1.15329351e+01 7.00309603e+00 -1.83389844e+01 12 -3.32076989e+01 2.64077743e+01 -5.69526341e+00 13 4.17618710e+01 -2.59950635e+01 -6.12502992e+01 14 2.02291437e+01 2.17460984e+01 -1.83975597e+01 15 3.83344705e+01 2.48949877e+01 -9.46435375e+00 16 5.52635814e+01 6.70569257e+01 -4.16939609e+01 17 -4.53160099e+01 -3.80894772e+01 1.99719165e+01 18 8.02327447e+00 -1.75808908e+01 3.52562207e+00 19 -2.64102409e+01 -1.48825223e+01 5.84670828e+01 20 -2.85442902e+01 -2.13324818e+01 2.63580509e+01 21 4.88264189e+01 -4.63890646e+01 -1.72350942e+01 22 4.88738360e+01 -2.11372692e+01 2.67532295e+01 23 1.34682321e+01 -1.30024506e+01 1.13146652e+01 24 6.74485817e+00 7.37629839e+00 4.23225838e+01 25 -7.60264430e+01 9.99522021e+00 1.87516040e+01 26 -3.06955803e+01 4.60999976e+01 4.56882823e+01 27 1.38743343e+01 1.81688366e+01 6.02659656e+01 28 -1.56217283e+01 2.36003242e+01 1.79768484e+01 29 2.10246876e+01 -1.63954363e+01 2.05263525e+01 30 2.07074471e+01 3.70401119e+01 -2.75102406e+01 31 1.40173231e+01 -1.96029873e+01 4.09651351e+01 32 2.44992572e+00 2.32857003e+01 1.68536155e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pb (Configuration in file "config-T-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 635.2132153141941 Forces: 1 -1.57364822e+01 -1.53228351e+01 -1.79652066e+01 2 2.72049802e+01 -3.19672221e+01 -4.99639151e+01 3 8.46642430e-01 -2.79268195e+01 -1.74605211e+01 4 -6.54741009e+01 -2.69902989e+01 -9.46059237e+00 5 -2.13653736e+01 -4.37983281e+01 -4.99535184e+01 6 4.56399819e+01 9.70505998e+00 -4.61680054e+01 7 5.22034758e+01 -4.66824426e+01 3.33265298e+01 8 -1.96333634e+01 1.82859572e+01 -1.02440755e+01 9 -6.15946589e+01 1.95625703e+01 -3.38890049e+01 10 -2.83355789e+01 6.68666311e+01 -8.37688827e+00 11 -1.15329351e+01 7.00309603e+00 -1.83389844e+01 12 -3.32076989e+01 2.64077743e+01 -5.69526341e+00 13 4.17618710e+01 -2.59950635e+01 -6.12502992e+01 14 2.02291437e+01 2.17460984e+01 -1.83975597e+01 15 3.83344705e+01 2.48949877e+01 -9.46435375e+00 16 5.52635814e+01 6.70569257e+01 -4.16939609e+01 17 -4.53160099e+01 -3.80894772e+01 1.99719165e+01 18 8.02327447e+00 -1.75808908e+01 3.52562207e+00 19 -2.64102409e+01 -1.48825223e+01 5.84670828e+01 20 -2.85442902e+01 -2.13324818e+01 2.63580509e+01 21 4.88264189e+01 -4.63890646e+01 -1.72350942e+01 22 4.88738360e+01 -2.11372692e+01 2.67532295e+01 23 1.34682321e+01 -1.30024506e+01 1.13146652e+01 24 6.74485817e+00 7.37629839e+00 4.23225838e+01 25 -7.60264430e+01 9.99522021e+00 1.87516040e+01 26 -3.06955803e+01 4.60999976e+01 4.56882823e+01 27 1.38743343e+01 1.81688366e+01 6.02659656e+01 28 -1.56217283e+01 2.36003242e+01 1.79768484e+01 29 2.10246876e+01 -1.63954363e+01 2.05263525e+01 30 2.07074471e+01 3.70401119e+01 -2.75102406e+01 31 1.40173231e+01 -1.96029873e+01 4.09651351e+01 32 2.44992572e+00 2.32857003e+01 1.68536155e+01 MIXED STRUCTURE (pbc=False)-- Species = Mg Pb (Configuration in file "config-F-MgPb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 493.5646615608325 Forces: 1 -1.84678852e+01 -2.57854620e+01 -2.03511832e+01 2 8.31897959e+00 4.25062502e+01 -5.08898087e+01 3 9.39311005e+00 -7.47730737e+01 1.94212084e+01 4 -9.14367231e+01 1.75420767e+01 -5.01782198e+00 5 -2.99360253e+00 -3.72584029e+01 -5.78017727e+01 6 1.76731699e+01 4.07169096e+00 -1.40325269e+01 7 5.87081212e+01 -2.08869368e+01 1.12804833e+01 8 6.12868902e+00 8.66466276e-01 -5.42580477e+00 9 -1.70016935e+01 -9.93780960e+00 -1.26550325e+01 10 9.58944743e+00 1.39988927e+01 -1.37422699e+01 11 -7.39774128e+00 9.37089907e+00 -7.49873978e+00 12 -1.81989758e+01 1.74946461e+01 -2.07843051e+00 13 -5.89020054e+00 -5.36191474e+00 -2.01366112e+01 14 1.65369614e+01 1.46318947e+01 -1.25666294e+01 15 2.66921626e+01 5.87993067e+00 -1.88290116e+01 16 -5.62961648e+00 2.63505094e+01 2.70976321e+00 17 -1.99284742e+01 -1.34543374e+01 4.67209095e+00 18 -9.48822254e+00 2.39504648e+01 -2.88105219e+01 19 -6.29122212e+01 -6.58831094e+01 7.13529369e+01 20 -1.13613328e+01 -2.90928303e+00 1.47677819e+01 21 1.82925311e+01 -9.67633155e+01 -5.65072040e+01 22 4.50077767e+01 4.83274788e+00 -2.17249515e+01 23 2.27014409e+01 -2.29071968e+01 2.08920178e+01 24 3.12779341e+01 6.69366232e+01 8.51471986e+01 25 -4.48396624e+01 1.24650978e+01 9.76952514e-01 26 7.81899322e+00 2.26186160e+01 5.58450967e-01 27 1.24894875e+01 5.99680940e+00 2.39038736e+01 28 -1.58940714e+01 3.64852657e+01 3.67590054e+01 29 1.80223432e+00 3.02883719e+00 1.23652992e+01 30 2.55498291e+01 2.86757953e+01 -9.57148474e+00 31 3.12732325e+01 2.90568308e+00 2.79525985e+01 32 -1.78136776e+01 1.53116449e+01 2.48801440e+01 MIXED STRUCTURE (pbc=True)-- Species = Mg Pb (Configuration in file "config-T-MgPb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 698.66666041467 Forces: 1 -1.45791533e+01 -1.94651065e+01 -1.84392155e+01 2 1.65002097e+01 4.38243806e+01 -1.92737558e+01 3 1.56202690e+01 -5.54797587e+01 6.54036653e+00 4 -5.21397006e+01 1.45960346e+01 7.10522241e+00 5 -8.49941735e+00 -1.69581090e+01 -2.32810924e+01 6 1.03202223e+01 5.99710667e+00 -5.56366981e+00 7 3.75039912e+01 -5.94726259e+00 6.11868640e+00 8 6.90271587e+00 9.39809015e-01 -5.57234608e+00 9 -6.96745149e+00 -7.23798875e+00 -4.46286524e+00 10 1.07443091e+01 -1.97207122e+00 -3.60584481e+00 11 -6.93083437e+00 9.56639311e+00 -7.06812248e+00 12 -8.05886759e+00 1.93697462e+00 2.79862455e+00 13 -5.72742233e+00 -6.62711264e+00 -1.06262191e+01 14 1.46045802e+01 4.18423649e+00 -1.23306843e+01 15 7.28101776e-01 8.78632452e+00 -9.42367270e+00 16 -7.11864522e+00 1.22150071e+01 4.98709607e+00 17 -7.71088746e+00 -1.26737774e+00 5.92891879e+00 18 -9.75443642e+00 2.14336789e+01 -2.65177020e+01 19 -6.90423997e+01 -4.44139251e+01 4.22153495e+01 20 -9.29416428e+00 -2.21950521e+00 3.58957701e+00 21 -4.13321477e-01 -6.21168532e+01 -6.38939645e+01 22 2.02468979e+01 3.47312896e+00 -2.49190496e+01 23 1.93199118e+01 -1.02998917e+01 1.41914780e+01 24 3.03097593e+01 5.89228049e+01 6.29290601e+01 25 2.81958148e+00 1.23683972e+01 -8.90283955e+00 26 1.04081777e+01 1.41471900e+01 1.09429727e+00 27 1.12274992e+01 7.30404864e+00 1.47680743e+01 28 1.28666283e+01 3.38998141e+01 2.89035305e+01 29 2.39644472e+00 2.87877937e+00 1.24691944e+01 30 -3.25234528e-01 1.60955399e+01 -7.91156562e+00 31 -8.15324483e+00 -1.73158463e+01 2.09696317e+01 32 -7.80411868e+00 -2.12488401e+01 1.71835022e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==261143== Memcheck, a memory error detector ==261143== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==261143== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==261143== Command: python runner2.py MEAM_LAMMPS_KimLee_2017_MgPb__MO_325675357262_001 ==261143== ==263402== Warning: invalid file descriptor 255988 in syscall close() ==263402== Warning: invalid file descriptor 255989 in syscall close() ==263402== Warning: invalid file descriptor 255990 in syscall close() ==263402== Warning: invalid file descriptor 255991 in syscall close() ==263402== Use --log-fd= to select an alternative log fd. ==263402== Warning: invalid file descriptor 255992 in syscall close() ==263402== Warning: invalid file descriptor 255993 in syscall close() ==261143== Mismatched free() / delete / delete [] ==261143== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==261143== by 0x119B4939C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x119A1C54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x119A1DC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x119A06DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x119A0A5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x1192C0F1E: 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) ==261143== by 0x1192C1E18: 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) ==261143== by 0x1192C6762: 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) ==261143== by 0x119276246: 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) ==261143== by 0x1191D94C7: 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) ==261143== by 0x1191ED2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==261143== Address 0x92e980b0 is 0 bytes inside a block of size 1,024 alloc'd ==261143== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==261143== by 0x119B48B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x119A1C54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x119A1DC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x119A06DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x119A0A5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x1192C0F1E: 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) ==261143== by 0x1192C1E18: 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) ==261143== by 0x1192C6762: 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) ==261143== by 0x119276246: 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) ==261143== by 0x1191D94C7: 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) ==261143== by 0x1191ED2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==261143== ==261143== Mismatched free() / delete / delete [] ==261143== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==261143== by 0x119B43DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x119A1C578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x119A1DC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x119A06DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x119A0A5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x1192C0F1E: 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) ==261143== by 0x1192C1E18: 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) ==261143== by 0x1192C6762: 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) ==261143== by 0x119276246: 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) ==261143== by 0x1191D94C7: 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) ==261143== by 0x1191ED2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==261143== Address 0x92e99340 is 0 bytes inside a block of size 1,024 alloc'd ==261143== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==261143== by 0x119B43BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x119A1C578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x119A1DC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x119A06DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x119A0A5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-df3b4c69-ae37-4d0c-95d8-12762c894e5c-007-356caa30-310e-4792-8a87-78d378d99d6f/VC_561022993723_003-and-MO_325675357262_001-1653195371/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==261143== by 0x1192C0F1E: 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) ==261143== by 0x1192C1E18: 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) ==261143== by 0x1192C6762: 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) ==261143== by 0x119276246: 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) ==261143== by 0x1191D94C7: 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) ==261143== by 0x1191ED2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==261143== ==261143== ==261143== HEAP SUMMARY: ==261143== in use at exit: 2,203,207 bytes in 1,644 blocks ==261143== total heap usage: 96,646 allocs, 95,002 frees, 120,426,969 bytes allocated ==261143== ==261143== LEAK SUMMARY: ==261143== definitely lost: 0 bytes in 0 blocks ==261143== indirectly lost: 0 bytes in 0 blocks ==261143== possibly lost: 198,622 bytes in 101 blocks ==261143== still reachable: 2,004,553 bytes in 1,542 blocks ==261143== suppressed: 32 bytes in 1 blocks ==261143== Rerun with --leak-check=full to see details of leaked memory ==261143== ==261143== For lists of detected and suppressed errors, rerun with: -s ==261143== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9308 from 555) ================================================================================ 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.