!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_2006_PtFe__MO_343168101490_001 Supported species : Fe Pt random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -2.803257641169231 Forces: 1 -5.34259530e+00 -5.58284550e+00 -8.66926955e+00 2 -5.51122053e+00 9.29786642e+00 -5.22871934e+00 3 1.83245212e+00 -6.64801530e+00 5.16254651e+00 4 -4.75131827e+00 5.38944169e+00 3.12180916e+00 5 -1.32971803e-01 -1.55006146e+01 -2.72765535e+00 6 9.96739675e+00 7.58797728e+00 -7.92221353e+00 7 5.60009488e+00 -2.42573592e+01 -1.98465709e+01 8 -1.13113445e+01 -1.13621106e+01 -4.00313428e+00 9 -2.40179085e+00 -1.13411095e+01 -1.24021334e+01 10 -3.70572608e+00 1.03799076e+01 -1.38091591e+01 11 -7.64298538e+00 -6.42125126e+00 -9.68969056e+00 12 -8.27501215e+00 1.05426575e+01 1.05339367e+01 13 -9.40714853e+00 -1.09234856e+01 -3.25020891e+01 14 5.84183555e+00 7.57983281e+00 -4.92449234e+00 15 3.05574675e+01 -9.76157940e+00 3.88471595e+00 16 2.99084326e+00 2.49404554e+01 7.90467180e+00 17 -9.38993426e+00 -6.53124368e+00 -4.79684255e+00 18 4.00732002e+00 2.32393059e+00 2.11050598e+00 19 4.32364747e+00 -7.62752683e+00 5.94906622e+00 20 -3.59374306e+00 5.22178454e+00 5.39544898e+00 21 -9.80152780e+00 -7.98783485e+00 6.61330040e+00 22 1.65936192e+01 1.81404324e+01 1.97107327e+01 23 2.12633094e+00 -5.69730990e-01 3.44197660e+00 24 1.34808791e+00 1.70226459e+00 2.93970267e+00 25 -1.71161041e+01 -5.27466239e+00 -4.92643027e+00 26 -4.93106607e+00 1.89232533e+01 -5.38108744e+00 27 1.35669027e+01 -2.62226520e+01 1.37889078e+01 28 -2.21820709e+01 2.15210756e+01 7.25001128e+00 29 -1.57462869e+00 -6.89336618e+00 1.16829052e+01 30 8.14783863e+00 1.33924136e+01 8.02729065e+00 31 1.24416447e+01 -4.84186935e+00 7.52352196e+00 32 7.72570659e+00 1.08039639e+01 1.17884371e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -2.803257641169231 Forces: 1 -5.34259530e+00 -5.58284550e+00 -8.66926955e+00 2 -5.51122053e+00 9.29786642e+00 -5.22871934e+00 3 1.83245212e+00 -6.64801530e+00 5.16254651e+00 4 -4.75131827e+00 5.38944169e+00 3.12180916e+00 5 -1.32971803e-01 -1.55006146e+01 -2.72765535e+00 6 9.96739675e+00 7.58797728e+00 -7.92221353e+00 7 5.60009488e+00 -2.42573592e+01 -1.98465709e+01 8 -1.13113445e+01 -1.13621106e+01 -4.00313428e+00 9 -2.40179085e+00 -1.13411095e+01 -1.24021334e+01 10 -3.70572608e+00 1.03799076e+01 -1.38091591e+01 11 -7.64298538e+00 -6.42125126e+00 -9.68969056e+00 12 -8.27501215e+00 1.05426575e+01 1.05339367e+01 13 -9.40714853e+00 -1.09234856e+01 -3.25020891e+01 14 5.84183555e+00 7.57983281e+00 -4.92449234e+00 15 3.05574675e+01 -9.76157940e+00 3.88471595e+00 16 2.99084326e+00 2.49404554e+01 7.90467180e+00 17 -9.38993426e+00 -6.53124368e+00 -4.79684255e+00 18 4.00732002e+00 2.32393059e+00 2.11050598e+00 19 4.32364747e+00 -7.62752683e+00 5.94906622e+00 20 -3.59374306e+00 5.22178454e+00 5.39544898e+00 21 -9.80152780e+00 -7.98783485e+00 6.61330040e+00 22 1.65936192e+01 1.81404324e+01 1.97107327e+01 23 2.12633094e+00 -5.69730990e-01 3.44197660e+00 24 1.34808791e+00 1.70226459e+00 2.93970267e+00 25 -1.71161041e+01 -5.27466239e+00 -4.92643027e+00 26 -4.93106607e+00 1.89232533e+01 -5.38108744e+00 27 1.35669027e+01 -2.62226520e+01 1.37889078e+01 28 -2.21820709e+01 2.15210756e+01 7.25001128e+00 29 -1.57462869e+00 -6.89336618e+00 1.16829052e+01 30 8.14783863e+00 1.33924136e+01 8.02729065e+00 31 1.24416447e+01 -4.84186935e+00 7.52352196e+00 32 7.72570659e+00 1.08039639e+01 1.17884371e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Pt (Configuration in file "config-F-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 388.88538252554196 Forces: 1 -4.98848558e+01 -5.87427790e+00 -3.13374570e+01 2 -6.78677088e+01 -2.12213946e+01 -1.53549344e+02 3 3.96403814e+01 -5.41737767e+01 3.73161872e+01 4 -1.01840378e+02 -3.07778548e+01 4.14622704e+01 5 1.62239413e+01 -5.73316224e+01 -3.70293736e+01 6 3.45641511e+01 -3.03691349e+00 -3.58961655e+01 7 9.29983915e+00 -1.23170637e+01 5.16719247e-01 8 8.56997468e+01 -7.23223955e+01 5.95411985e+01 9 -4.46113165e+01 4.19771554e+00 -4.08884886e+01 10 -7.45265283e+01 1.46150813e+02 -3.67718507e+01 11 -2.28135466e+01 8.75022760e+01 9.09187514e+00 12 -6.72355690e+01 1.38306191e+02 -1.50514390e+02 13 7.80030009e+01 -9.46764927e+01 -4.04891338e+01 14 4.91711881e+01 2.16025217e+01 -2.28822095e+01 15 4.68548459e+01 2.84615575e+01 1.55061144e+01 16 1.65188425e+00 5.34820827e+01 2.55401942e+01 17 -6.80685870e+01 -2.09072100e+01 -6.58064874e+01 18 -3.46644935e+01 -6.94452404e+01 2.34633342e+01 19 2.56506706e+01 -3.90740614e+01 8.48757163e+01 20 -3.73030450e+01 3.62158984e+01 3.45337174e+01 21 5.20324431e+01 -3.88749337e+01 -3.50752867e+01 22 1.97700080e+01 -2.12872887e+01 -2.50412620e+01 23 1.06026749e+01 -8.59808315e+00 1.33906928e+01 24 3.36057250e+01 -4.95013945e+01 3.06613752e+01 25 -2.57541899e+01 -1.88806266e+02 8.28564590e+01 26 8.95189473e+01 9.20424835e+01 2.03679030e+00 27 -4.71121581e+01 6.21903599e+01 6.21807409e+01 28 -6.79091775e+01 2.86073424e+01 8.57591071e+01 29 7.76967989e+01 4.06829351e+01 2.32891667e+01 30 4.58552915e+01 1.13180657e+01 -3.43966645e+01 31 2.49052722e+01 2.23166143e+01 3.40106589e+01 32 -3.11552564e+01 1.51494131e+01 4.36457948e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pt (Configuration in file "config-T-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 388.88538252554196 Forces: 1 -4.98848558e+01 -5.87427790e+00 -3.13374570e+01 2 -6.78677088e+01 -2.12213946e+01 -1.53549344e+02 3 3.96403814e+01 -5.41737767e+01 3.73161872e+01 4 -1.01840378e+02 -3.07778548e+01 4.14622704e+01 5 1.62239413e+01 -5.73316224e+01 -3.70293736e+01 6 3.45641511e+01 -3.03691349e+00 -3.58961655e+01 7 9.29983915e+00 -1.23170637e+01 5.16719247e-01 8 8.56997468e+01 -7.23223955e+01 5.95411985e+01 9 -4.46113165e+01 4.19771554e+00 -4.08884886e+01 10 -7.45265283e+01 1.46150813e+02 -3.67718507e+01 11 -2.28135466e+01 8.75022760e+01 9.09187514e+00 12 -6.72355690e+01 1.38306191e+02 -1.50514390e+02 13 7.80030009e+01 -9.46764927e+01 -4.04891338e+01 14 4.91711881e+01 2.16025217e+01 -2.28822095e+01 15 4.68548459e+01 2.84615575e+01 1.55061144e+01 16 1.65188425e+00 5.34820827e+01 2.55401942e+01 17 -6.80685870e+01 -2.09072100e+01 -6.58064874e+01 18 -3.46644935e+01 -6.94452404e+01 2.34633342e+01 19 2.56506706e+01 -3.90740614e+01 8.48757163e+01 20 -3.73030450e+01 3.62158984e+01 3.45337174e+01 21 5.20324431e+01 -3.88749337e+01 -3.50752867e+01 22 1.97700080e+01 -2.12872887e+01 -2.50412620e+01 23 1.06026749e+01 -8.59808315e+00 1.33906928e+01 24 3.36057250e+01 -4.95013945e+01 3.06613752e+01 25 -2.57541899e+01 -1.88806266e+02 8.28564590e+01 26 8.95189473e+01 9.20424835e+01 2.03679030e+00 27 -4.71121581e+01 6.21903599e+01 6.21807409e+01 28 -6.79091775e+01 2.86073424e+01 8.57591071e+01 29 7.76967989e+01 4.06829351e+01 2.32891667e+01 30 4.58552915e+01 1.13180657e+01 -3.43966645e+01 31 2.49052722e+01 2.23166143e+01 3.40106589e+01 32 -3.11552564e+01 1.51494131e+01 4.36457948e+01 MIXED STRUCTURE (pbc=False)-- Species = Fe Pt (Configuration in file "config-F-FePt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 169.54873859425194 Forces: 1 -2.81851722e+01 -1.65094121e+01 -1.99739257e+01 2 -5.42863659e+01 3.20965902e+01 -8.81694668e+01 3 -3.06505371e+01 -7.57347574e+01 4.02720055e+01 4 -2.26659322e+01 1.54770974e+00 -2.00978251e+01 5 2.95402434e+01 -3.72215623e+01 -5.78127673e+01 6 1.11944244e+01 5.13516836e+00 -1.01906397e+01 7 8.16601312e+00 -1.08918884e+01 4.13480193e-01 8 7.01008648e+01 2.41479198e+01 5.90263101e+01 9 -1.62293082e+01 -1.75219131e+00 -1.05138894e+01 10 5.36341062e+00 1.30781453e+01 -2.84284121e+01 11 -8.53919594e+00 2.21241713e+01 9.06142309e+00 12 -2.52320456e+01 1.07728565e+01 1.24860239e+01 13 1.37461928e+01 1.49706703e+01 -2.34972464e+01 14 7.72189580e+01 1.57091383e+01 -8.37706559e+01 15 7.51520786e+01 -2.46682737e+01 -4.14231474e+01 16 -6.91134330e+01 3.94586244e+01 4.15516044e+01 17 -3.66888774e+01 -2.62048390e+01 1.10138655e+01 18 1.81382813e+01 1.87251606e+01 1.49695410e+01 19 1.52128773e+01 -2.19638660e+01 1.60011557e+01 20 -2.59822868e+01 2.51528502e+00 1.31523936e+01 21 1.26149893e+01 -2.45903155e+01 1.20579511e+01 22 3.04689184e+01 6.05483863e+01 -7.49283912e+01 23 2.77690034e+01 -7.70749193e+01 6.44021944e+01 24 -3.10211419e+01 6.93377314e+00 3.13915556e+01 25 -3.27624215e+01 -1.58238766e+01 -3.53720309e+01 26 6.06013799e-01 1.32433383e+01 -9.84999719e-01 27 2.86398468e+01 7.05639458e+00 3.03945805e+01 28 -9.66075767e+00 2.88113648e+01 2.68829226e+01 29 -6.14686547e+01 -2.22356980e+01 7.47149823e+01 30 1.92288310e+01 2.69232670e+01 1.25987862e+01 31 4.64621548e+00 4.00014403e+00 1.07766487e+01 32 4.67896753e+00 6.87349171e+00 1.39959730e+01 MIXED STRUCTURE (pbc=True)-- Species = Fe Pt (Configuration in file "config-T-FePt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 286.20951118377167 Forces: 1 -5.19319844e+01 1.92454481e+01 -1.14555579e+01 2 -3.92079179e+01 2.15643361e+00 -5.10090806e-01 3 -2.64199549e+01 -2.41719851e+01 6.51360271e+01 4 -1.59228417e+01 -8.31369617e-01 -2.48859909e+01 5 3.67301154e+01 1.62040633e+00 -6.76907018e+01 6 7.19393648e+00 1.01837854e+01 -3.20611822e+00 7 8.48232710e+00 -1.31552226e-01 2.51164688e+00 8 6.84490568e+01 2.57526910e+01 6.31680188e+01 9 -1.36273693e+01 -5.12743564e+00 -5.12430431e+00 10 1.24785708e+01 -5.38784314e+01 -2.50026174e+01 11 -6.75883365e+00 2.02944346e+01 1.05774938e+01 12 -5.63431368e+00 2.15261924e+00 2.22041614e+01 13 2.37771526e+01 1.55405610e+01 -1.00292010e+01 14 7.77974691e+01 -8.42924938e+00 -9.15591420e+01 15 4.32291176e+01 -3.90176948e+01 -4.81084701e+01 16 -5.68029459e+01 6.15711270e+00 5.00939886e+01 17 -2.75014184e+01 -2.14771273e+01 8.59891082e+00 18 1.80512134e+01 2.11908972e+01 1.47973274e+01 19 1.65409597e+01 -1.73348906e+01 3.04790633e+00 20 -1.98409415e+01 5.43618736e+00 5.43371895e+00 21 1.11679569e+01 -1.63948546e+01 1.33808559e+01 22 6.53368614e+00 5.49602251e+01 -7.17324602e+01 23 1.16087306e+01 -7.16955314e+01 5.53572336e+01 24 -3.43223883e+01 1.08136196e+01 2.26123775e+01 25 3.53926060e+00 -9.08986108e+00 -2.63565121e+01 26 2.06138303e+00 5.36350854e+00 1.40494314e+00 27 2.00988367e+01 3.80708267e+01 -6.67570871e+01 28 -8.73421822e+00 3.07333201e+01 1.15818107e+01 29 -6.43832520e+01 -2.09383419e+01 7.68621644e+01 30 7.44758542e+00 2.38513178e+01 1.31007097e+01 31 -1.23715492e+01 -7.91151553e+00 5.34538651e+00 32 8.27257059e+00 2.90644603e+00 7.20357214e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==120321== Memcheck, a memory error detector ==120321== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==120321== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==120321== Command: python runner2.py MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_001 ==120321== ==123674== Warning: invalid file descriptor 255988 in syscall close() ==123674== Warning: invalid file descriptor 255989 in syscall close() ==123674== Warning: invalid file descriptor 255990 in syscall close() ==123674== Warning: invalid file descriptor 255991 in syscall close() ==123674== Use --log-fd= to select an alternative log fd. ==123674== Warning: invalid file descriptor 255992 in syscall close() ==123674== Warning: invalid file descriptor 255993 in syscall close() ==120321== Mismatched free() / delete / delete [] ==120321== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==120321== by 0x55AAD39C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x5598054D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x55981C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x5596ADE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x5596E5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x33CB8F1E: 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) ==120321== by 0x33CB9E18: 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) ==120321== by 0x33CBE762: 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) ==120321== by 0x33C6E246: 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) ==120321== by 0x2D4CF4C7: 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) ==120321== by 0x2D4E32E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==120321== Address 0x5e052570 is 0 bytes inside a block of size 1,024 alloc'd ==120321== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==120321== by 0x55AACB21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x5598054D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x55981C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x5596ADE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x5596E5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x33CB8F1E: 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) ==120321== by 0x33CB9E18: 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) ==120321== by 0x33CBE762: 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) ==120321== by 0x33C6E246: 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) ==120321== by 0x2D4CF4C7: 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) ==120321== by 0x2D4E32E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==120321== ==120321== Mismatched free() / delete / delete [] ==120321== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==120321== by 0x55AA7DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x55980578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x55981C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x5596ADE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x5596E5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x33CB8F1E: 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) ==120321== by 0x33CB9E18: 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) ==120321== by 0x33CBE762: 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) ==120321== by 0x33C6E246: 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) ==120321== by 0x2D4CF4C7: 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) ==120321== by 0x2D4E32E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==120321== Address 0x5e053800 is 0 bytes inside a block of size 1,024 alloc'd ==120321== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==120321== by 0x55AA7BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x55980578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x55981C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x5596ADE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x5596E5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-a05bd978-1d38-414c-a012-d92dcfb82a3d-007-75d61573-c3af-43f8-9191-1c620adccce0/VC_561022993723_003-and-MO_343168101490_001-1653194866/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==120321== by 0x33CB8F1E: 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) ==120321== by 0x33CB9E18: 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) ==120321== by 0x33CBE762: 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) ==120321== by 0x33C6E246: 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) ==120321== by 0x2D4CF4C7: 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) ==120321== by 0x2D4E32E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==120321== ==120321== ==120321== HEAP SUMMARY: ==120321== in use at exit: 2,203,207 bytes in 1,644 blocks ==120321== total heap usage: 95,542 allocs, 93,898 frees, 120,189,700 bytes allocated ==120321== ==120321== LEAK SUMMARY: ==120321== definitely lost: 0 bytes in 0 blocks ==120321== indirectly lost: 0 bytes in 0 blocks ==120321== possibly lost: 198,622 bytes in 101 blocks ==120321== still reachable: 2,004,553 bytes in 1,542 blocks ==120321== suppressed: 32 bytes in 1 blocks ==120321== Rerun with --leak-check=full to see details of leaked memory ==120321== ==120321== For lists of detected and suppressed errors, rerun with: -s ==120321== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9313 from 556) ================================================================================ 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.