!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MooreBeelerDeo_2015_UZr__MO_453094726678_000 Supported species : U Zr random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = U (Configuration in file "config-F-U.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1136.8765919001394 Forces: 1 -6.25284567e+01 -6.69472658e+01 -1.01378528e+02 2 -3.90247374e+01 1.01025516e+02 -6.30924843e+01 3 2.60131782e+01 -7.34062856e+01 6.65675960e+01 4 -5.17894169e+01 6.93501199e+01 5.05061809e+01 5 4.92147071e+01 -1.24602850e+02 -3.88823057e+01 6 5.58647953e+01 3.10405608e+01 -4.05362247e+01 7 9.57320289e+01 -2.16153254e+02 -3.09298821e+02 8 -1.58201797e+02 -5.04538689e+00 -1.04787930e+02 9 -9.27726645e+01 -6.48630035e+01 -1.34375757e+02 10 -7.05225996e+01 1.77278903e+02 -2.21934955e+02 11 -5.89749450e+01 -1.80195066e+02 1.14613009e+02 12 -7.60933468e+01 8.94984754e+01 5.76558558e+01 13 -7.32333084e+01 -1.37031405e+02 -3.44879888e+02 14 6.40853558e+01 7.91062703e+01 -6.11660731e+01 15 2.93845544e+02 -6.43099758e+01 1.08042690e+02 16 7.03887554e+01 2.26211490e+02 2.24812363e+02 17 -9.47998077e+01 -6.50675317e+01 -6.50845779e+01 18 1.92419237e+01 5.77652233e+01 -2.13355190e+01 19 5.85913386e+01 -8.36613160e+01 7.07119939e+01 20 -5.14654906e+01 6.79511500e+01 6.66403920e+01 21 -1.49357770e+02 -1.41612331e+02 1.99245045e+02 22 2.32169303e+02 1.44781374e+02 1.51099520e+02 23 2.99241386e+01 -1.37876820e+01 3.88597611e+01 24 1.06316318e+01 1.82163540e+01 4.18257387e+01 25 -1.70420963e+02 -1.70224826e+02 -1.27631881e+02 26 1.25718085e+02 2.15259580e+02 -1.33283459e+02 27 2.38043620e+02 -3.57095483e+02 1.70630351e+02 28 -3.26900332e+02 2.89198647e+02 1.21991470e+02 29 -1.03419092e+02 4.93821435e+01 9.95811528e+01 30 6.89696247e+01 9.54181665e+01 1.95046105e+01 31 1.12319287e+02 -6.59026361e+01 8.18712324e+01 32 2.87514101e+01 1.18422324e+02 8.35094415e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = U (Configuration in file "config-T-U.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1136.8765919001394 Forces: 1 -6.25284567e+01 -6.69472658e+01 -1.01378528e+02 2 -3.90247374e+01 1.01025516e+02 -6.30924843e+01 3 2.60131782e+01 -7.34062856e+01 6.65675960e+01 4 -5.17894169e+01 6.93501199e+01 5.05061809e+01 5 4.92147071e+01 -1.24602850e+02 -3.88823057e+01 6 5.58647953e+01 3.10405608e+01 -4.05362247e+01 7 9.57320289e+01 -2.16153254e+02 -3.09298821e+02 8 -1.58201797e+02 -5.04538689e+00 -1.04787930e+02 9 -9.27726645e+01 -6.48630035e+01 -1.34375757e+02 10 -7.05225996e+01 1.77278903e+02 -2.21934955e+02 11 -5.89749450e+01 -1.80195066e+02 1.14613009e+02 12 -7.60933468e+01 8.94984754e+01 5.76558558e+01 13 -7.32333084e+01 -1.37031405e+02 -3.44879888e+02 14 6.40853558e+01 7.91062703e+01 -6.11660731e+01 15 2.93845544e+02 -6.43099758e+01 1.08042690e+02 16 7.03887554e+01 2.26211490e+02 2.24812363e+02 17 -9.47998077e+01 -6.50675317e+01 -6.50845779e+01 18 1.92419237e+01 5.77652233e+01 -2.13355190e+01 19 5.85913386e+01 -8.36613160e+01 7.07119939e+01 20 -5.14654906e+01 6.79511500e+01 6.66403920e+01 21 -1.49357770e+02 -1.41612331e+02 1.99245045e+02 22 2.32169303e+02 1.44781374e+02 1.51099520e+02 23 2.99241386e+01 -1.37876820e+01 3.88597611e+01 24 1.06316318e+01 1.82163540e+01 4.18257387e+01 25 -1.70420963e+02 -1.70224826e+02 -1.27631881e+02 26 1.25718085e+02 2.15259580e+02 -1.33283459e+02 27 2.38043620e+02 -3.57095483e+02 1.70630351e+02 28 -3.26900332e+02 2.89198647e+02 1.21991470e+02 29 -1.03419092e+02 4.93821435e+01 9.95811528e+01 30 6.89696247e+01 9.54181665e+01 1.95046105e+01 31 1.12319287e+02 -6.59026361e+01 8.18712324e+01 32 2.87514101e+01 1.18422324e+02 8.35094415e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Zr (Configuration in file "config-F-Zr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 234.49051662104267 Forces: 1 -8.53887841e+00 -1.73057959e+01 -1.87506107e+01 2 3.14718899e+01 -4.39707158e+01 -9.15382329e+00 3 2.69677372e+01 -2.64769508e+01 -2.25779678e+01 4 -2.44697887e+01 2.97670298e+01 -1.39669234e+01 5 -7.46512238e+01 -2.19093513e+01 -6.53218514e+01 6 3.17655974e+01 1.52101745e+01 -1.84136481e+01 7 6.16008812e+01 -1.39497217e+01 8.01613924e+01 8 2.86474106e+01 6.33302537e+01 -7.23754323e+01 9 -4.73435519e+01 2.71758205e+01 -4.06059110e+01 10 1.11502508e+01 9.25072698e+00 -2.06369514e+01 11 4.67221910e+01 1.62712707e+01 3.75968238e+01 12 -1.64427069e+01 6.61327203e+00 1.71127371e+01 13 -2.67400511e+01 -2.41133268e+01 -2.08852268e+01 14 3.79053150e+01 3.46673911e+01 -3.26145360e+01 15 2.82742781e+01 -1.96649593e+01 -8.20312930e+00 16 -3.42859130e+01 3.11321468e+01 2.89517366e+01 17 -3.51521130e+01 -4.19590566e+01 4.62537400e+01 18 -4.52381336e+01 1.53569409e+01 4.46787778e+01 19 3.20444704e+01 -2.04378416e+01 -5.63844604e+00 20 -3.39156693e+01 3.59736596e+00 2.60358355e+01 21 2.07056756e+01 -6.92891731e+01 5.06557431e+01 22 1.38367766e+01 6.02015351e+00 -2.46231338e+01 23 -1.04634798e+01 -2.77069748e+01 2.71656440e+01 24 -1.19862197e+01 -2.98249511e+01 2.50642237e+01 25 -2.01920832e+01 5.62009309e+00 -3.60088364e+01 26 4.28989611e+00 1.26176446e+01 -9.36848181e+00 27 3.02999054e+01 -1.97684646e+01 2.73719110e+01 28 -3.65964503e+01 4.42864499e+01 1.42567823e+01 29 -1.46410716e+01 2.21443935e+01 -2.91662662e+01 30 4.09070822e+00 6.61342393e+00 -2.88374042e+00 31 3.75417879e+01 -5.99280268e+00 1.91024906e+01 32 -6.65743696e+00 3.26955346e+01 6.78707819e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Zr (Configuration in file "config-T-Zr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 234.49051662104267 Forces: 1 -8.53887841e+00 -1.73057959e+01 -1.87506107e+01 2 3.14718899e+01 -4.39707158e+01 -9.15382329e+00 3 2.69677372e+01 -2.64769508e+01 -2.25779678e+01 4 -2.44697887e+01 2.97670298e+01 -1.39669234e+01 5 -7.46512238e+01 -2.19093513e+01 -6.53218514e+01 6 3.17655974e+01 1.52101745e+01 -1.84136481e+01 7 6.16008812e+01 -1.39497217e+01 8.01613924e+01 8 2.86474106e+01 6.33302537e+01 -7.23754323e+01 9 -4.73435519e+01 2.71758205e+01 -4.06059110e+01 10 1.11502508e+01 9.25072698e+00 -2.06369514e+01 11 4.67221910e+01 1.62712707e+01 3.75968238e+01 12 -1.64427069e+01 6.61327203e+00 1.71127371e+01 13 -2.67400511e+01 -2.41133268e+01 -2.08852268e+01 14 3.79053150e+01 3.46673911e+01 -3.26145360e+01 15 2.82742781e+01 -1.96649593e+01 -8.20312930e+00 16 -3.42859130e+01 3.11321468e+01 2.89517366e+01 17 -3.51521130e+01 -4.19590566e+01 4.62537400e+01 18 -4.52381336e+01 1.53569409e+01 4.46787778e+01 19 3.20444704e+01 -2.04378416e+01 -5.63844604e+00 20 -3.39156693e+01 3.59736596e+00 2.60358355e+01 21 2.07056756e+01 -6.92891731e+01 5.06557431e+01 22 1.38367766e+01 6.02015351e+00 -2.46231338e+01 23 -1.04634798e+01 -2.77069748e+01 2.71656440e+01 24 -1.19862197e+01 -2.98249511e+01 2.50642237e+01 25 -2.01920832e+01 5.62009309e+00 -3.60088364e+01 26 4.28989611e+00 1.26176446e+01 -9.36848181e+00 27 3.02999054e+01 -1.97684646e+01 2.73719110e+01 28 -3.65964503e+01 4.42864499e+01 1.42567823e+01 29 -1.46410716e+01 2.21443935e+01 -2.91662662e+01 30 4.09070822e+00 6.61342393e+00 -2.88374042e+00 31 3.75417879e+01 -5.99280268e+00 1.91024906e+01 32 -6.65743696e+00 3.26955346e+01 6.78707819e+00 MIXED STRUCTURE (pbc=False)-- Species = U Zr (Configuration in file "config-F-UZr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1032.498633981745 Forces: 1 -6.75344886e+01 -6.32801888e+01 -8.08965361e+01 2 -4.83456664e+01 1.08466142e+02 -2.22288694e+02 3 3.39837409e+01 -2.41652490e+02 -3.16293356e+01 4 -2.90867512e+02 7.52306760e+01 -8.17790539e+01 5 1.18519516e+02 -1.25155946e+02 -1.08613872e+02 6 6.23698010e+01 -1.83948547e+01 -1.26119470e+01 7 2.72050981e+01 -3.56657950e+01 -6.40628200e+00 8 1.01275871e+02 4.09486443e+01 9.63328907e+01 9 -9.10569955e+01 -5.08424747e+00 -9.13757210e+01 10 8.48046049e+01 4.59898440e+01 -1.10732096e+02 11 5.23803090e+01 1.40502622e+02 3.01064681e+01 12 -1.02913691e+02 4.97699101e+01 9.14523281e+01 13 -4.82426806e+01 2.86102612e+01 -6.97980448e+01 14 6.69224010e+01 4.15461744e+01 2.21455688e+00 15 2.10659809e+01 2.24434841e+01 -1.82716337e+01 16 1.81317523e+01 4.18571575e+01 1.46987284e+01 17 -1.60414170e+02 -1.57008593e+02 1.97186522e+02 18 4.44326675e+01 9.37442450e+01 9.17767842e+01 19 -5.70247617e+01 -1.30349933e+01 8.19313704e+01 20 -7.30228355e+01 -1.04811925e+02 2.88489254e+01 21 8.30211606e+01 -2.00597718e+02 -5.93468302e+01 22 2.88785336e+02 1.28107191e+02 -2.98327120e+02 23 1.10466961e+02 -1.64469405e+02 1.19207375e+02 24 -2.68898572e+02 1.14884796e+02 3.31021915e+02 25 -8.72312867e+01 8.90807496e+00 -5.87608664e+01 26 -3.86132196e+01 1.12983955e+02 1.16876060e+01 27 1.32106403e+02 1.82914757e+01 8.57994598e+01 28 -5.40270303e+01 2.50507965e+01 2.83751851e+01 29 8.46500965e+01 -4.01905790e+01 -1.90302895e+01 30 8.76806305e-01 1.18012260e+01 -1.13528214e+01 31 1.47927165e+01 3.06922403e+01 3.15274527e+01 32 4.24016852e+01 2.95178195e+01 3.90535758e+01 MIXED STRUCTURE (pbc=True)-- Species = U Zr (Configuration in file "config-T-UZr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1155.940765235555 Forces: 1 -8.41010903e+01 4.46855437e+01 -8.03686769e+01 2 -5.87488127e+01 3.17611798e+01 -1.25617452e+02 3 3.07925794e+01 -9.92989262e+01 -6.32887062e+00 4 -2.23755923e+02 6.70661529e+01 -9.79350339e+01 5 1.46563823e+02 -5.98699432e+01 -8.81753171e+01 6 4.90501636e+01 -1.00680964e+01 3.62997056e+00 7 -4.57122891e+01 5.09923094e+00 -2.33821311e+01 8 1.06328885e+02 4.34105020e+01 9.05000138e+01 9 -6.17849749e+01 8.06116713e+00 -7.63075549e+01 10 6.96651019e+01 -8.77239407e+01 -1.11133651e+02 11 5.79935474e+01 1.56377243e+02 2.08502803e+01 12 -8.55105367e+01 -6.75498561e+01 9.20881512e+01 13 2.19435634e+01 3.61487047e+01 4.60161376e+01 14 1.44122575e+01 2.35361901e+01 -2.28707523e+01 15 -2.67052268e+01 1.84748575e+01 6.23955103e-01 16 5.37767033e+01 -5.54054747e+01 1.53363768e+01 17 -1.13324266e+02 -1.09830692e+02 2.07220548e+02 18 4.03053572e+01 9.53613226e+01 9.54234453e+01 19 -5.15641280e+01 -9.33367308e+00 5.00175305e+01 20 -7.26898525e+01 -9.46297955e+01 -4.27055245e+00 21 8.04088476e+01 -1.53214313e+02 -4.05836128e+01 22 2.55279984e+02 1.36887880e+02 -2.73002643e+02 23 8.83995309e+01 -1.47297799e+02 1.02679687e+02 24 -2.57409302e+02 9.79220388e+01 2.67637951e+02 25 -6.39240473e+01 1.74610437e+01 -3.54440893e+01 26 -3.99161069e+01 5.93322196e+01 4.04499896e+01 27 8.05775931e+01 4.55545908e+01 -5.67187072e+01 28 -3.32942498e+01 1.63766806e+01 1.18103520e+01 29 7.84805550e+01 -3.54652837e+01 -3.47356086e+00 30 -7.27434305e+00 -9.75988421e+00 1.72143715e+01 31 1.63098548e+01 1.80734732e+01 -6.17570870e-01 32 3.54268009e+01 1.78576570e+01 -1.52685836e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==136408== Memcheck, a memory error detector ==136408== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==136408== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==136408== Command: python runner2.py MEAM_LAMMPS_MooreBeelerDeo_2015_UZr__MO_453094726678_000 ==136408== ==136995== Warning: invalid file descriptor 255988 in syscall close() ==136995== Warning: invalid file descriptor 255989 in syscall close() ==136995== Warning: invalid file descriptor 255990 in syscall close() ==136995== Warning: invalid file descriptor 255991 in syscall close() ==136995== Use --log-fd= to select an alternative log fd. ==136995== Warning: invalid file descriptor 255992 in syscall close() ==136995== Warning: invalid file descriptor 255993 in syscall close() ==136408== Mismatched free() / delete / delete [] ==136408== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==136408== by 0x119C5639C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x119B2954D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x119B2AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x119B13DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x119B175CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x33A06F1E: 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) ==136408== by 0x33A07E18: 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) ==136408== by 0x33A0C762: 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) ==136408== by 0x339BC246: 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) ==136408== by 0x26E934C7: 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) ==136408== by 0x26EA72E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==136408== Address 0x3a6da750 is 0 bytes inside a block of size 1,024 alloc'd ==136408== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==136408== by 0x119C55B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x119B2954D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x119B2AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x119B13DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x119B175CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x33A06F1E: 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) ==136408== by 0x33A07E18: 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) ==136408== by 0x33A0C762: 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) ==136408== by 0x339BC246: 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) ==136408== by 0x26E934C7: 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) ==136408== by 0x26EA72E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==136408== ==136408== Mismatched free() / delete / delete [] ==136408== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==136408== by 0x119C50DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x119B29578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x119B2AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x119B13DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x119B175CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x33A06F1E: 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) ==136408== by 0x33A07E18: 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) ==136408== by 0x33A0C762: 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) ==136408== by 0x339BC246: 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) ==136408== by 0x26E934C7: 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) ==136408== by 0x26EA72E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==136408== Address 0x3a6db9e0 is 0 bytes inside a block of size 1,024 alloc'd ==136408== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==136408== by 0x119C50BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x119B29578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x119B2AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x119B13DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x119B175CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-8790c526-a5e9-43fa-af74-70379b947950-007-f9b08828-73bb-4d53-9066-58e9bd61255d/VC_561022993723_003-and-MO_453094726678_000-1657322294/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==136408== by 0x33A06F1E: 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) ==136408== by 0x33A07E18: 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) ==136408== by 0x33A0C762: 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) ==136408== by 0x339BC246: 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) ==136408== by 0x26E934C7: 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) ==136408== by 0x26EA72E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==136408== ==136408== ==136408== HEAP SUMMARY: ==136408== in use at exit: 2,203,207 bytes in 1,644 blocks ==136408== total heap usage: 96,646 allocs, 95,002 frees, 120,409,849 bytes allocated ==136408== ==136408== LEAK SUMMARY: ==136408== definitely lost: 0 bytes in 0 blocks ==136408== indirectly lost: 0 bytes in 0 blocks ==136408== possibly lost: 198,622 bytes in 101 blocks ==136408== still reachable: 2,004,553 bytes in 1,542 blocks ==136408== suppressed: 32 bytes in 1 blocks ==136408== Rerun with --leak-check=full to see details of leaked memory ==136408== ==136408== For lists of detected and suppressed errors, rerun with: -s ==136408== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9291 from 565) ================================================================================ 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.