!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimSeolJi_2017_PtNi__MO_020840179467_001 Supported species : Ni Pt random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 165.84484391934782 Forces: 1 -5.59158737e+00 -1.96129248e+01 -1.89954380e+01 2 -1.25897362e+01 1.95559581e+01 -1.00767237e+01 3 1.09171460e+01 -3.20816401e+01 -1.47930151e+01 4 -1.76300094e+01 1.50880806e+01 8.44732262e+00 5 2.41059290e+00 -3.19128030e+01 -1.74693763e+01 6 1.20415439e+01 6.47518729e+00 -9.72395118e+00 7 1.94854663e+01 -5.21788534e+01 -9.40133836e+00 8 -3.72385167e+01 -1.75792240e+01 -1.17270018e+01 9 -1.52553988e+01 -1.60454943e+01 -2.67723747e+01 10 -2.67717245e+01 6.52597990e+01 -6.00083791e+01 11 -2.28021934e+01 -3.17270046e+01 1.93052312e+01 12 -2.20962537e+01 2.76452367e+01 1.17664419e+01 13 1.51207291e+01 -2.21383209e+01 -6.60199661e+01 14 1.02503523e+01 1.80101354e+01 -1.00719613e+01 15 4.79661447e+01 -1.72303211e+01 3.81117017e+00 16 4.05337024e+01 2.12912990e+01 1.55273893e+01 17 -3.30733162e+01 -1.78230380e+01 -1.05534732e+01 18 9.97585681e+00 2.65506760e+01 1.78053033e+01 19 3.53268621e+00 -2.56815111e+01 1.80927358e+01 20 -1.10801933e+01 1.88117808e+01 1.44381170e+01 21 -1.93860600e+01 -2.65603090e+01 -1.40466672e+01 22 4.60338411e+01 3.58657374e+01 2.30656795e+01 23 1.80816649e+01 -4.63430094e+00 2.16468818e+01 24 6.25864968e+00 1.70363975e+01 1.37476716e+01 25 -1.83584578e+01 -2.05573809e+01 -3.33524630e+00 26 -1.84362946e+01 3.31479139e+01 -9.99706726e+00 27 2.12143341e+01 -6.14996018e+01 1.40210683e+01 28 -5.33352300e+01 5.46367093e+01 2.93475372e+01 29 -1.21037111e+01 -2.13519844e+01 9.77994165e+00 30 1.40372509e+01 3.37854753e+01 1.38368382e+01 31 2.94915027e+01 -1.30204365e+01 1.81713102e+01 32 1.83972193e+01 3.84747628e+01 4.01813399e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 165.84484391934782 Forces: 1 -5.59158737e+00 -1.96129248e+01 -1.89954380e+01 2 -1.25897362e+01 1.95559581e+01 -1.00767237e+01 3 1.09171460e+01 -3.20816401e+01 -1.47930151e+01 4 -1.76300094e+01 1.50880806e+01 8.44732262e+00 5 2.41059290e+00 -3.19128030e+01 -1.74693763e+01 6 1.20415439e+01 6.47518729e+00 -9.72395118e+00 7 1.94854663e+01 -5.21788534e+01 -9.40133836e+00 8 -3.72385167e+01 -1.75792240e+01 -1.17270018e+01 9 -1.52553988e+01 -1.60454943e+01 -2.67723747e+01 10 -2.67717245e+01 6.52597990e+01 -6.00083791e+01 11 -2.28021934e+01 -3.17270046e+01 1.93052312e+01 12 -2.20962537e+01 2.76452367e+01 1.17664419e+01 13 1.51207291e+01 -2.21383209e+01 -6.60199661e+01 14 1.02503523e+01 1.80101354e+01 -1.00719613e+01 15 4.79661447e+01 -1.72303211e+01 3.81117017e+00 16 4.05337024e+01 2.12912990e+01 1.55273893e+01 17 -3.30733162e+01 -1.78230380e+01 -1.05534732e+01 18 9.97585681e+00 2.65506760e+01 1.78053033e+01 19 3.53268621e+00 -2.56815111e+01 1.80927358e+01 20 -1.10801933e+01 1.88117808e+01 1.44381170e+01 21 -1.93860600e+01 -2.65603090e+01 -1.40466672e+01 22 4.60338411e+01 3.58657374e+01 2.30656795e+01 23 1.80816649e+01 -4.63430094e+00 2.16468818e+01 24 6.25864968e+00 1.70363975e+01 1.37476716e+01 25 -1.83584578e+01 -2.05573809e+01 -3.33524630e+00 26 -1.84362946e+01 3.31479139e+01 -9.99706726e+00 27 2.12143341e+01 -6.14996018e+01 1.40210683e+01 28 -5.33352300e+01 5.46367093e+01 2.93475372e+01 29 -1.21037111e+01 -2.13519844e+01 9.77994165e+00 30 1.40372509e+01 3.37854753e+01 1.38368382e+01 31 2.94915027e+01 -1.30204365e+01 1.81713102e+01 32 1.83972193e+01 3.84747628e+01 4.01813399e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Pt (Configuration in file "config-F-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 150.3466601540037 Forces: 1 -6.03335859e+00 -3.46170244e+01 -2.24617691e+01 2 4.26765349e+01 -1.28159622e+01 -3.52133920e+01 3 -4.57057219e+01 -2.55535262e+01 -2.90203958e+01 4 -3.66982195e+01 5.71869154e+00 4.35642853e+01 5 -5.58444592e+01 -6.41226218e+01 -7.57112173e+01 6 7.67325997e+01 5.00167622e+01 -5.83119565e+01 7 5.29271280e+01 -5.48641115e+01 4.18463639e+01 8 -4.64037659e+01 5.08887976e+01 4.95239406e+01 9 -3.17785221e+01 2.42771452e+01 -1.80605432e+01 10 1.02984477e+01 7.17282146e+00 -1.92770575e+01 11 3.89363862e+01 -3.21573787e+00 -5.34982430e+01 12 -3.06210986e+01 2.70033566e+01 9.30083939e+00 13 -1.57385382e+00 1.33383068e+01 -1.24659402e+01 14 2.47389377e+00 3.69403814e+00 -4.35256872e+00 15 7.33837817e+01 2.52663289e+01 -8.54194205e+01 16 9.54501382e+00 1.95287667e+01 -6.47350288e+00 17 -1.20326994e+01 -1.11955711e+02 -8.50401021e+01 18 5.14363919e+01 -4.87687658e+01 4.86113351e+00 19 -2.50547256e-01 -2.43105978e+00 4.25668326e+00 20 -6.64802641e+00 9.24261748e+01 9.76431889e+01 21 2.71497739e+01 -9.40989868e+00 5.30036666e+01 22 4.72656251e+01 -4.25592061e+01 2.12459382e+01 23 -2.53017527e-01 -5.00627503e-01 -1.86753371e-02 24 -1.51422095e+01 -1.74171720e+01 2.58403525e+01 25 -7.70184614e+01 3.97841480e+01 5.09654258e+01 26 1.72166625e+01 9.04356234e+00 -1.69724450e+01 27 7.58947828e+00 1.45676180e+00 1.89457560e+01 28 -2.94869181e+01 5.23687876e+00 1.81910171e+01 29 -1.04463024e+02 -9.23690256e-01 5.03519367e+01 30 4.35686168e+01 3.76584195e+01 -2.88141117e+01 31 2.97064616e+01 -2.42632581e+01 3.16872865e+01 32 -3.09528920e+01 4.09074125e+01 2.98835267e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pt (Configuration in file "config-T-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 150.3466601540037 Forces: 1 -6.03335859e+00 -3.46170244e+01 -2.24617691e+01 2 4.26765349e+01 -1.28159622e+01 -3.52133920e+01 3 -4.57057219e+01 -2.55535262e+01 -2.90203958e+01 4 -3.66982195e+01 5.71869154e+00 4.35642853e+01 5 -5.58444592e+01 -6.41226218e+01 -7.57112173e+01 6 7.67325997e+01 5.00167622e+01 -5.83119565e+01 7 5.29271280e+01 -5.48641115e+01 4.18463639e+01 8 -4.64037659e+01 5.08887976e+01 4.95239406e+01 9 -3.17785221e+01 2.42771452e+01 -1.80605432e+01 10 1.02984477e+01 7.17282146e+00 -1.92770575e+01 11 3.89363862e+01 -3.21573787e+00 -5.34982430e+01 12 -3.06210986e+01 2.70033566e+01 9.30083939e+00 13 -1.57385382e+00 1.33383068e+01 -1.24659402e+01 14 2.47389377e+00 3.69403814e+00 -4.35256872e+00 15 7.33837817e+01 2.52663289e+01 -8.54194205e+01 16 9.54501382e+00 1.95287667e+01 -6.47350288e+00 17 -1.20326994e+01 -1.11955711e+02 -8.50401021e+01 18 5.14363919e+01 -4.87687658e+01 4.86113351e+00 19 -2.50547256e-01 -2.43105978e+00 4.25668326e+00 20 -6.64802641e+00 9.24261748e+01 9.76431889e+01 21 2.71497739e+01 -9.40989868e+00 5.30036666e+01 22 4.72656251e+01 -4.25592061e+01 2.12459382e+01 23 -2.53017527e-01 -5.00627503e-01 -1.86753371e-02 24 -1.51422095e+01 -1.74171720e+01 2.58403525e+01 25 -7.70184614e+01 3.97841480e+01 5.09654258e+01 26 1.72166625e+01 9.04356234e+00 -1.69724450e+01 27 7.58947828e+00 1.45676180e+00 1.89457560e+01 28 -2.94869181e+01 5.23687876e+00 1.81910171e+01 29 -1.04463024e+02 -9.23690256e-01 5.03519367e+01 30 4.35686168e+01 3.76584195e+01 -2.88141117e+01 31 2.97064616e+01 -2.42632581e+01 3.16872865e+01 32 -3.09528920e+01 4.09074125e+01 2.98835267e+01 MIXED STRUCTURE (pbc=False)-- Species = Ni Pt (Configuration in file "config-F-NiPt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 47.3487146797805 Forces: 1 -2.60197014e+01 -2.34743373e+01 -4.13364900e+01 2 -2.39392067e+01 5.63117643e+01 -8.18806553e+00 3 1.71190089e+01 -2.48925002e+01 2.08861275e+01 4 -1.86316917e+01 3.81852908e+01 1.10425193e+01 5 5.58405111e+01 -5.11374767e+01 -2.15205962e+01 6 6.54580321e+00 -3.30002112e+00 -3.62712997e+00 7 -4.00524476e+00 8.30071491e+00 6.33433941e-02 8 2.18921147e+00 2.38787129e+01 -5.94279696e+01 9 -3.79218070e+00 1.26459556e+01 -7.64740612e+00 10 6.04659344e-01 7.48966953e+00 -1.96283097e+01 11 3.62220751e+01 1.58797169e+01 3.41550130e+00 12 -2.08522366e+01 -7.15495368e+00 2.48438654e+01 13 -2.64422654e+01 7.26013011e+00 -3.79234685e+01 14 -2.27243534e+00 -6.62609704e+00 6.13299397e+00 15 3.56407255e+01 -8.92880243e+00 9.23690829e+00 16 -8.01174616e+00 -3.24432582e+01 -2.46766478e+01 17 -1.07544096e+01 -1.60389851e+01 3.04671518e+01 18 -1.39985464e+01 1.15677573e+01 -1.63329109e+01 19 -1.67908327e+01 -2.44572730e+01 1.63134961e+01 20 -8.18001545e+00 -8.99341910e-01 6.55577367e+00 21 -1.44642890e+01 -5.98752255e+01 3.16670775e+01 22 4.11996320e+01 -2.07382300e+00 2.20674987e+01 23 -5.35524095e+00 8.41937884e+00 -4.57386778e+00 24 2.19646310e+01 6.90731438e+00 1.51038034e+01 25 -3.70200605e+01 -8.83716446e+00 -2.48161487e+01 26 -2.16421763e+00 4.24941934e+01 1.80256970e+01 27 -5.14010525e+00 -2.90980924e+01 1.24854229e+01 28 1.21869156e+00 -3.61678200e+00 -6.57779575e-01 29 -1.37818762e+01 1.01110086e+01 1.86371041e-01 30 7.60597607e+00 1.63239141e+01 1.82429143e+01 31 1.04452825e+01 2.56844152e+00 1.24347557e+01 32 2.50200947e+01 3.45101709e+01 1.11855690e+01 MIXED STRUCTURE (pbc=True)-- Species = Ni Pt (Configuration in file "config-T-NiPt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 89.15716623268028 Forces: 1 -2.26507195e+01 -2.41930801e+01 -3.27947700e+01 2 -1.63831112e+01 5.95117313e+01 -1.51861684e+01 3 2.13124421e+01 -1.91301697e+01 2.41416101e+01 4 -1.29246258e+00 3.67885337e+01 1.24835151e+01 5 5.36439772e+01 -5.01999764e+01 -9.14492159e+00 6 -2.49966074e+00 -8.12860990e+00 -3.92995370e+00 7 -3.02589031e+01 7.54175429e+00 -1.28510684e+01 8 1.26071925e+00 2.62563701e+01 -5.66182912e+01 9 1.00775830e+01 7.79825010e+00 -2.03295611e+00 10 9.35658577e+00 9.34444125e+00 -1.00752259e+01 11 4.09234909e+01 1.37797776e+01 2.88168443e+00 12 1.49243556e+01 -2.23762945e+01 2.19858195e+01 13 -3.39684230e+01 7.61082351e+00 -2.90277769e+01 14 -9.92445571e+00 -1.58724297e+00 7.57297987e+00 15 5.20167808e+00 -1.63825619e+01 1.83927538e+00 16 -7.00917136e+00 -4.13523139e+01 -2.06350002e+01 17 7.11574144e+00 -5.64606498e+00 3.48380013e+01 18 -1.25760886e+01 1.14881512e+01 -1.69668210e+01 19 -2.07077835e+01 -2.26835985e+01 1.61300758e+01 20 -6.02859681e+00 2.19626868e+00 -1.32563399e+01 21 -1.47757397e+01 -5.55195816e+01 3.11168211e+01 22 3.32277678e+01 1.22903995e+00 2.04626049e+01 23 1.58713134e+00 9.27431695e+00 -5.14475880e+00 24 2.14164853e+01 1.31528690e+01 1.86230004e+01 25 -3.04058624e+01 1.36483208e+01 -2.70229804e+01 26 5.15703837e-01 3.05107041e+01 1.52761934e+01 27 -1.00185173e+01 -3.16112395e+01 1.14746092e+01 28 3.74616551e+00 -3.77639687e+00 -1.70670129e+01 29 -1.41655240e+01 6.24609559e+00 -2.93812660e-01 30 -1.56345235e+01 2.16556015e+01 4.10728367e+01 31 2.35862615e+00 -1.62719560e+00 7.74209367e+00 32 2.16310896e+01 2.61812768e+01 4.40673740e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==249132== Memcheck, a memory error detector ==249132== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==249132== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==249132== Command: python runner2.py MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_001 ==249132== ==249680== Warning: invalid file descriptor 255988 in syscall close() ==249680== Warning: invalid file descriptor 255989 in syscall close() ==249680== Warning: invalid file descriptor 255990 in syscall close() ==249680== Warning: invalid file descriptor 255991 in syscall close() ==249680== Use --log-fd= to select an alternative log fd. ==249680== Warning: invalid file descriptor 255992 in syscall close() ==249680== Warning: invalid file descriptor 255993 in syscall close() ==249132== Mismatched free() / delete / delete [] ==249132== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==249132== by 0x119C0E39C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x119AE154D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x119AE2C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x119ACBDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x119ACF5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x4F403F1E: 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) ==249132== by 0x4F404E18: 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) ==249132== by 0x4F409762: 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) ==249132== by 0x4F3B9246: 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) ==249132== by 0x140E34C7: 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) ==249132== by 0x140F72E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==249132== Address 0x91c0dfe0 is 0 bytes inside a block of size 1,024 alloc'd ==249132== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==249132== by 0x119C0DB21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x119AE154D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x119AE2C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x119ACBDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x119ACF5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x4F403F1E: 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) ==249132== by 0x4F404E18: 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) ==249132== by 0x4F409762: 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) ==249132== by 0x4F3B9246: 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) ==249132== by 0x140E34C7: 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) ==249132== by 0x140F72E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==249132== ==249132== Mismatched free() / delete / delete [] ==249132== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==249132== by 0x119C08DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x119AE1578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x119AE2C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x119ACBDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x119ACF5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x4F403F1E: 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) ==249132== by 0x4F404E18: 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) ==249132== by 0x4F409762: 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) ==249132== by 0x4F3B9246: 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) ==249132== by 0x140E34C7: 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) ==249132== by 0x140F72E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==249132== Address 0x91c0f270 is 0 bytes inside a block of size 1,024 alloc'd ==249132== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==249132== by 0x119C08BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x119AE1578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x119AE2C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x119ACBDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x119ACF5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_020840179467_001-1656608088/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249132== by 0x4F403F1E: 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) ==249132== by 0x4F404E18: 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) ==249132== by 0x4F409762: 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) ==249132== by 0x4F3B9246: 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) ==249132== by 0x140E34C7: 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) ==249132== by 0x140F72E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==249132== ==249132== ==249132== HEAP SUMMARY: ==249132== in use at exit: 2,203,207 bytes in 1,644 blocks ==249132== total heap usage: 95,554 allocs, 93,910 frees, 120,193,166 bytes allocated ==249132== ==249132== LEAK SUMMARY: ==249132== definitely lost: 0 bytes in 0 blocks ==249132== indirectly lost: 0 bytes in 0 blocks ==249132== possibly lost: 198,622 bytes in 101 blocks ==249132== still reachable: 2,004,553 bytes in 1,542 blocks ==249132== suppressed: 32 bytes in 1 blocks ==249132== Rerun with --leak-check=full to see details of leaked memory ==249132== ==249132== For lists of detected and suppressed errors, rerun with: -s ==249132== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9320 from 554) ================================================================================ 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.