Enter a model name: === Verification check vc-memory-leak start (2022-11-30 10:16:42) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LeeJang_2007_FeH__MO_095610951957_001 Supported species : Fe H 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 = -2.8025143964956034 Forces: 1 -5.34259516e+00 -5.58284573e+00 -8.66926910e+00 2 -5.51118880e+00 9.29800556e+00 -5.22872961e+00 3 1.83244201e+00 -6.64801638e+00 5.16254570e+00 4 -4.75130818e+00 5.38941934e+00 3.12182955e+00 5 -1.32817315e-01 -1.55009208e+01 -2.72772490e+00 6 9.96344673e+00 7.58333526e+00 -7.91993323e+00 7 5.60022814e+00 -2.42570445e+01 -1.98461996e+01 8 -1.13112670e+01 -1.13616021e+01 -4.00329793e+00 9 -2.40178227e+00 -1.13410898e+01 -1.24021422e+01 10 -3.70569601e+00 1.03798513e+01 -1.38091878e+01 11 -7.64290822e+00 -6.42140605e+00 -9.68929420e+00 12 -8.27488007e+00 1.05425078e+01 1.05358033e+01 13 -9.40124849e+00 -1.09246118e+01 -3.25034928e+01 14 5.83844063e+00 7.58673263e+00 -4.92062466e+00 15 3.05583454e+01 -9.76230565e+00 3.88008891e+00 16 2.99108838e+00 2.49399129e+01 7.90446565e+00 17 -9.38993418e+00 -6.53124123e+00 -4.79684320e+00 18 4.00705602e+00 2.32349313e+00 2.11027991e+00 19 4.32362382e+00 -7.62752648e+00 5.94902354e+00 20 -3.59372652e+00 5.22180237e+00 5.39546513e+00 21 -9.80161143e+00 -7.98796992e+00 6.61320675e+00 22 1.65936256e+01 1.81404459e+01 1.97107030e+01 23 2.12632691e+00 -5.69721743e-01 3.44198035e+00 24 1.34940653e+00 1.70139749e+00 2.94038792e+00 25 -1.71175632e+01 -5.27354470e+00 -4.92752505e+00 26 -4.93106997e+00 1.89231618e+01 -5.38107386e+00 27 1.35666913e+01 -2.62222171e+01 1.37893507e+01 28 -2.21820958e+01 2.15209731e+01 7.24816858e+00 29 -1.57423388e+00 -6.89308671e+00 1.16827740e+01 30 8.14778610e+00 1.33919099e+01 8.02727890e+00 31 1.24417038e+01 -4.84169367e+00 7.52354547e+00 32 7.72571513e+00 1.08038960e+01 1.17884408e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -2.8025143964956034 Forces: 1 -5.34259516e+00 -5.58284573e+00 -8.66926910e+00 2 -5.51118880e+00 9.29800556e+00 -5.22872961e+00 3 1.83244201e+00 -6.64801638e+00 5.16254570e+00 4 -4.75130818e+00 5.38941934e+00 3.12182955e+00 5 -1.32817315e-01 -1.55009208e+01 -2.72772490e+00 6 9.96344673e+00 7.58333526e+00 -7.91993323e+00 7 5.60022814e+00 -2.42570445e+01 -1.98461996e+01 8 -1.13112670e+01 -1.13616021e+01 -4.00329793e+00 9 -2.40178227e+00 -1.13410898e+01 -1.24021422e+01 10 -3.70569601e+00 1.03798513e+01 -1.38091878e+01 11 -7.64290822e+00 -6.42140605e+00 -9.68929420e+00 12 -8.27488007e+00 1.05425078e+01 1.05358033e+01 13 -9.40124849e+00 -1.09246118e+01 -3.25034928e+01 14 5.83844063e+00 7.58673263e+00 -4.92062466e+00 15 3.05583454e+01 -9.76230565e+00 3.88008891e+00 16 2.99108838e+00 2.49399129e+01 7.90446565e+00 17 -9.38993418e+00 -6.53124123e+00 -4.79684320e+00 18 4.00705602e+00 2.32349313e+00 2.11027991e+00 19 4.32362382e+00 -7.62752648e+00 5.94902354e+00 20 -3.59372652e+00 5.22180237e+00 5.39546513e+00 21 -9.80161143e+00 -7.98796992e+00 6.61320675e+00 22 1.65936256e+01 1.81404459e+01 1.97107030e+01 23 2.12632691e+00 -5.69721743e-01 3.44198035e+00 24 1.34940653e+00 1.70139749e+00 2.94038792e+00 25 -1.71175632e+01 -5.27354470e+00 -4.92752505e+00 26 -4.93106997e+00 1.89231618e+01 -5.38107386e+00 27 1.35666913e+01 -2.62222171e+01 1.37893507e+01 28 -2.21820958e+01 2.15209731e+01 7.24816858e+00 29 -1.57423388e+00 -6.89308671e+00 1.16827740e+01 30 8.14778610e+00 1.33919099e+01 8.02727890e+00 31 1.24417038e+01 -4.84169367e+00 7.52354547e+00 32 7.72571513e+00 1.08038960e+01 1.17884408e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = H (Configuration in file "config-F-H.xyz") ----------------------------------------------------------------------------------------------------- Energy = -6.582059266866898 Forces: 1 3.95800282e-01 3.09049384e-01 1.97719935e-01 2 -6.95303568e-01 1.38956161e-01 1.08624744e+00 3 3.84351627e-01 1.80641738e-01 -3.17300113e-01 4 2.57978335e-01 1.00459074e-02 -1.08133553e+00 5 3.75627989e-01 5.42338544e-01 6.50947751e-01 6 -2.92661964e-01 -5.21347087e-01 1.85431293e-01 7 -1.96468071e-01 2.78550934e-01 -3.93942777e-01 8 -1.33574785e-01 -9.72868502e-01 -8.28038378e-01 9 8.48495531e-02 -1.83388073e-01 -1.25282579e-01 10 1.51571094e+00 -1.21518759e+00 -1.63909104e-01 11 3.42670734e-02 5.53980058e-01 7.34361971e-01 12 3.74083883e-01 -1.14804604e+00 1.31286729e+00 13 -1.12381853e+00 1.06794722e+00 1.57878719e-02 14 -2.97074706e-01 1.16447669e-01 4.71906946e-01 15 1.18352608e-02 -4.86010931e-01 7.87796289e-01 16 1.06436973e-01 -7.82104622e-02 -7.25079849e-01 17 6.39015640e-01 2.73790295e-01 9.13841153e-01 18 1.28883953e-01 3.99148994e-01 2.89343943e-01 19 -8.56469822e-01 5.34384409e-01 -6.65009032e-01 20 2.91086521e-01 -9.02969108e-01 -3.70755084e-01 21 -8.11899694e-02 -7.22944442e-02 3.11718001e-01 22 -3.89734768e-02 6.34630514e-01 1.21670636e-01 23 -1.65862690e-01 4.46006005e-02 -1.09433675e-01 24 5.14064525e-01 2.70075619e-01 -4.91818596e-01 25 -7.51377660e-02 1.73575821e+00 -5.26593641e-01 26 -1.00783503e+00 -6.22053323e-01 1.35249816e-01 27 1.29223683e-01 -1.03311526e-01 -1.80987851e-01 28 7.30552112e-01 -1.03196148e-01 -4.70538469e-01 29 -8.30039516e-01 -4.92239056e-01 -8.47576749e-01 30 -6.22566946e-01 -1.18723884e-01 6.29465241e-01 31 -3.30959468e-01 -1.14077034e-01 -2.34634122e-01 32 7.74167960e-01 4.35769496e-02 -3.12120036e-01 MONOATOMIC STRUCTURE (pbc=True)-- Species = H (Configuration in file "config-T-H.xyz") ----------------------------------------------------------------------------------------------------- Energy = -6.582059266866898 Forces: 1 3.95800282e-01 3.09049384e-01 1.97719935e-01 2 -6.95303568e-01 1.38956161e-01 1.08624744e+00 3 3.84351627e-01 1.80641738e-01 -3.17300113e-01 4 2.57978335e-01 1.00459074e-02 -1.08133553e+00 5 3.75627989e-01 5.42338544e-01 6.50947751e-01 6 -2.92661964e-01 -5.21347087e-01 1.85431293e-01 7 -1.96468071e-01 2.78550934e-01 -3.93942777e-01 8 -1.33574785e-01 -9.72868502e-01 -8.28038378e-01 9 8.48495531e-02 -1.83388073e-01 -1.25282579e-01 10 1.51571094e+00 -1.21518759e+00 -1.63909104e-01 11 3.42670734e-02 5.53980058e-01 7.34361971e-01 12 3.74083883e-01 -1.14804604e+00 1.31286729e+00 13 -1.12381853e+00 1.06794722e+00 1.57878719e-02 14 -2.97074706e-01 1.16447669e-01 4.71906946e-01 15 1.18352608e-02 -4.86010931e-01 7.87796289e-01 16 1.06436973e-01 -7.82104622e-02 -7.25079849e-01 17 6.39015640e-01 2.73790295e-01 9.13841153e-01 18 1.28883953e-01 3.99148994e-01 2.89343943e-01 19 -8.56469822e-01 5.34384409e-01 -6.65009032e-01 20 2.91086521e-01 -9.02969108e-01 -3.70755084e-01 21 -8.11899694e-02 -7.22944442e-02 3.11718001e-01 22 -3.89734768e-02 6.34630514e-01 1.21670636e-01 23 -1.65862690e-01 4.46006005e-02 -1.09433675e-01 24 5.14064525e-01 2.70075619e-01 -4.91818596e-01 25 -7.51377660e-02 1.73575821e+00 -5.26593641e-01 26 -1.00783503e+00 -6.22053323e-01 1.35249816e-01 27 1.29223683e-01 -1.03311526e-01 -1.80987851e-01 28 7.30552112e-01 -1.03196148e-01 -4.70538469e-01 29 -8.30039516e-01 -4.92239056e-01 -8.47576749e-01 30 -6.22566946e-01 -1.18723884e-01 6.29465241e-01 31 -3.30959468e-01 -1.14077034e-01 -2.34634122e-01 32 7.74167960e-01 4.35769496e-02 -3.12120036e-01 MIXED STRUCTURE (pbc=False)-- Species = Fe H (Configuration in file "config-F-FeH.xyz") ----------------------------------------------------------------------------------------------------- Energy = -32.97254351424384 Forces: 1 2.06169102e+00 9.26747233e-01 4.48150541e-01 2 1.82481566e+00 -9.76936143e+00 -1.21259458e+01 3 2.95626881e+00 -1.52179242e+01 -2.34760079e+01 4 3.01776008e-01 -2.88077655e-01 2.52634704e-01 5 -1.10823840e+00 -1.74441072e-01 3.40589498e-01 6 -5.84559485e+00 -1.86721406e+01 -1.27989014e+01 7 3.74192222e-03 1.86593473e+00 8.49213365e-02 8 2.31311984e+00 2.90727513e+00 1.06652823e+00 9 -4.25009889e-01 -2.79275118e+00 -3.40539100e+00 10 1.29172430e+01 5.12480214e+00 -8.80273157e+00 11 3.47017324e+00 2.54641392e+00 9.27425318e+00 12 -1.42752021e+01 4.09089060e+00 1.51949073e+01 13 -1.04129548e+00 -7.31700655e-01 5.62114416e-01 14 7.53470808e-01 -8.56931315e-01 1.21199888e+00 15 4.20775928e+00 2.09792533e+01 9.12407810e+00 16 -3.74373927e-01 3.55336860e-01 -4.19009106e-01 17 -1.65206275e+01 -1.11862348e+01 2.82448420e+00 18 6.44349493e-02 2.89067057e+01 1.00460194e+01 19 4.67294289e+00 -7.39514984e+00 6.44377530e+00 20 -7.28768789e+00 9.23022337e+00 4.27336081e+00 21 1.36060707e+01 -6.53402294e+00 3.91336322e+00 22 2.35770054e+01 -2.23610371e+01 5.40178918e+00 23 -4.84788458e-01 1.98250614e-01 -2.05194385e+00 24 1.55663182e-01 -1.34932413e-01 -1.93798413e+00 25 1.19677950e+00 1.29589023e+00 -2.10559155e+00 26 -5.93609727e-01 -4.33661882e-01 -5.84803848e-01 27 -1.71786176e-01 -9.07164989e-01 -5.04847999e-01 28 -1.48293338e-01 5.99910963e-02 1.36578543e-01 29 -2.67330589e+01 1.71873414e+01 -3.22845488e-01 30 2.86415499e+00 1.91746436e+00 -1.82077913e+00 31 -8.68903324e-01 1.29386079e+00 -1.53990261e+00 32 -1.06864118e+00 -1.43084945e+00 1.29713862e+00 MIXED STRUCTURE (pbc=True)-- Species = Fe H (Configuration in file "config-T-FeH.xyz") ----------------------------------------------------------------------------------------------------- Energy = -37.55023141719671 Forces: 1 -6.06962400e-01 -1.23806203e+00 -4.26513034e+00 2 4.88084240e+00 -3.51185856e+00 -7.22002191e+00 3 7.69161228e+00 -1.59632456e+01 -1.89828621e+01 4 -6.74900766e-01 4.75023458e-01 1.55280912e+00 5 1.07738210e-02 2.03463693e+00 -1.22067849e+00 6 -5.62772727e+00 -1.77993360e+01 -1.46739196e+01 7 1.12543455e+00 1.06163870e+00 1.54995360e+00 8 2.30433589e+00 2.82159370e+00 1.05583532e+00 9 1.69603462e+00 -4.26450738e+00 -4.31862877e+00 10 9.67940652e+00 1.76012627e+00 -9.19652063e+00 11 2.94838476e+00 8.86238819e-01 9.95854352e+00 12 -1.61590960e+01 5.81165109e+00 1.45645673e+01 13 -6.49328327e-01 -4.29424604e-01 -4.71139780e-01 14 -4.10573421e-02 1.61928970e+00 2.47871777e+00 15 1.15628401e+00 1.77275685e+01 7.65132877e+00 16 -1.15031268e+00 3.49025578e-01 -1.80635329e-01 17 -1.71510381e+01 -1.13097788e+01 2.03552271e+00 18 3.71683773e-01 2.89301073e+01 9.73177847e+00 19 6.16791769e+00 -8.42847443e+00 3.49547360e+00 20 -1.18036672e+01 9.27307328e+00 1.52290623e+00 21 1.20326968e+01 -6.43145856e+00 3.49468233e+00 22 2.36256125e+01 -2.20902381e+01 3.26599040e+00 23 2.48396284e-01 -2.41047017e-01 1.04113142e+00 24 -2.80101103e-01 -9.95949309e-02 -2.51123790e+00 25 3.08209665e+00 2.42864626e+00 -7.15219647e-01 26 -1.64125528e-01 1.42450277e+00 -8.19811726e-01 27 -3.78025390e-02 -1.33316091e+00 3.44750102e-01 28 5.97413513e-01 4.98213450e-01 3.94218804e-01 29 -2.64239592e+01 1.60188375e+01 2.36150819e-01 30 3.65863319e+00 1.04014152e+00 -2.49805035e+00 31 -1.71235234e+00 -5.92119641e-02 -1.22517306e+00 32 1.20487161e+00 -9.60916005e-01 3.92466935e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1812646== Memcheck, a memory error detector ==1812646== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1812646== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1812646== Command: python runner2.py MEAM_LAMMPS_LeeJang_2007_FeH__MO_095610951957_001 ==1812646== ==1813928== Warning: invalid file descriptor 1024 in syscall close() ==1813928== Warning: invalid file descriptor 1025 in syscall close() ==1813928== Warning: invalid file descriptor 1026 in syscall close() ==1813928== Warning: invalid file descriptor 1027 in syscall close() ==1813928== Use --log-fd= to select an alternative log fd. ==1813928== Warning: invalid file descriptor 1028 in syscall close() ==1813928== Warning: invalid file descriptor 1029 in syscall close() ==1812646== Mismatched free() / delete / delete [] ==1812646== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812646== by 0x12C78438C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12BEB1F1E: 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) ==1812646== by 0x12BEB2E18: 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) ==1812646== by 0x12BEB7762: 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) ==1812646== by 0x12BE67246: 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) ==1812646== by 0x12BDC76C7: 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) ==1812646== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812646== Address 0xa8fb3a40 is 0 bytes inside a block of size 1,024 alloc'd ==1812646== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812646== by 0x12C783B11: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12BEB1F1E: 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) ==1812646== by 0x12BEB2E18: 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) ==1812646== by 0x12BEB7762: 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) ==1812646== by 0x12BE67246: 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) ==1812646== by 0x12BDC76C7: 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) ==1812646== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812646== ==1812646== Mismatched free() / delete / delete [] ==1812646== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812646== by 0x12C77EDBD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12BEB1F1E: 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) ==1812646== by 0x12BEB2E18: 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) ==1812646== by 0x12BEB7762: 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) ==1812646== by 0x12BE67246: 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) ==1812646== by 0x12BDC76C7: 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) ==1812646== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812646== Address 0xa8f7dcf0 is 0 bytes inside a block of size 1,024 alloc'd ==1812646== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812646== by 0x12C77EB9B: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_095610951957_001-1669765233/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812646== by 0x12BEB1F1E: 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) ==1812646== by 0x12BEB2E18: 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) ==1812646== by 0x12BEB7762: 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) ==1812646== by 0x12BE67246: 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) ==1812646== by 0x12BDC76C7: 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) ==1812646== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812646== ==1812646== ==1812646== HEAP SUMMARY: ==1812646== in use at exit: 2,257,687 bytes in 1,702 blocks ==1812646== total heap usage: 93,360 allocs, 91,658 frees, 115,192,273 bytes allocated ==1812646== ==1812646== LEAK SUMMARY: ==1812646== definitely lost: 0 bytes in 0 blocks ==1812646== indirectly lost: 0 bytes in 0 blocks ==1812646== possibly lost: 180,827 bytes in 103 blocks ==1812646== still reachable: 2,076,828 bytes in 1,598 blocks ==1812646== of which reachable via heuristic: ==1812646== stdstring : 38 bytes in 1 blocks ==1812646== suppressed: 32 bytes in 1 blocks ==1812646== Rerun with --leak-check=full to see details of leaked memory ==1812646== ==1812646== For lists of detected and suppressed errors, rerun with: -s ==1812646== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 7926 from 548) ================================================================================ 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. === Verification check vc-memory-leak end (2022-11-30 10:17:26) ===