Enter a model name: === Verification check vc-memory-leak start (2022-11-30 10:16:41) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_JeongParkDo_2018_PdFe__MO_924736622203_001 Supported species : Fe Pd 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 = -2.8032576413372157 Forces: 1 -5.34259513e+00 -5.58284499e+00 -8.66926903e+00 2 -5.51122080e+00 9.29786667e+00 -5.22871934e+00 3 1.83245202e+00 -6.64801542e+00 5.16254631e+00 4 -4.75131828e+00 5.38944129e+00 3.12180867e+00 5 -1.32971317e-01 -1.55006146e+01 -2.72765519e+00 6 9.96739650e+00 7.58797702e+00 -7.92221364e+00 7 5.60009464e+00 -2.42573597e+01 -1.98465714e+01 8 -1.13113441e+01 -1.13621099e+01 -4.00313406e+00 9 -2.40179093e+00 -1.13411094e+01 -1.24021333e+01 10 -3.70572593e+00 1.03799074e+01 -1.38091591e+01 11 -7.64298617e+00 -6.42125077e+00 -9.68969029e+00 12 -8.27501212e+00 1.05426574e+01 1.05339367e+01 13 -9.40714792e+00 -1.09234857e+01 -3.25020881e+01 14 5.84183541e+00 7.57983271e+00 -4.92449213e+00 15 3.05574664e+01 -9.76157998e+00 3.88471536e+00 16 2.99084341e+00 2.49404558e+01 7.90467191e+00 17 -9.38993423e+00 -6.53124388e+00 -4.79684275e+00 18 4.00732020e+00 2.32393049e+00 2.11050624e+00 19 4.32364752e+00 -7.62752690e+00 5.94906619e+00 20 -3.59374325e+00 5.22178470e+00 5.39544915e+00 21 -9.80152798e+00 -7.98783475e+00 6.61330024e+00 22 1.65936194e+01 1.81404329e+01 1.97107331e+01 23 2.12633112e+00 -5.69731042e-01 3.44197681e+00 24 1.34808781e+00 1.70226454e+00 2.93970263e+00 25 -1.71161042e+01 -5.27466253e+00 -4.92643089e+00 26 -4.93106630e+00 1.89232539e+01 -5.38108864e+00 27 1.35669038e+01 -2.62226522e+01 1.37889086e+01 28 -2.21820712e+01 2.15210757e+01 7.25001125e+00 29 -1.57462833e+00 -6.89336675e+00 1.16829040e+01 30 8.14783851e+00 1.33924135e+01 8.02729057e+00 31 1.24416456e+01 -4.84186963e+00 7.52352224e+00 32 7.72570580e+00 1.08039640e+01 1.17884380e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -2.8032576413372157 Forces: 1 -5.34259513e+00 -5.58284499e+00 -8.66926903e+00 2 -5.51122080e+00 9.29786667e+00 -5.22871934e+00 3 1.83245202e+00 -6.64801542e+00 5.16254631e+00 4 -4.75131828e+00 5.38944129e+00 3.12180867e+00 5 -1.32971317e-01 -1.55006146e+01 -2.72765519e+00 6 9.96739650e+00 7.58797702e+00 -7.92221364e+00 7 5.60009464e+00 -2.42573597e+01 -1.98465714e+01 8 -1.13113441e+01 -1.13621099e+01 -4.00313406e+00 9 -2.40179093e+00 -1.13411094e+01 -1.24021333e+01 10 -3.70572593e+00 1.03799074e+01 -1.38091591e+01 11 -7.64298617e+00 -6.42125077e+00 -9.68969029e+00 12 -8.27501212e+00 1.05426574e+01 1.05339367e+01 13 -9.40714792e+00 -1.09234857e+01 -3.25020881e+01 14 5.84183541e+00 7.57983271e+00 -4.92449213e+00 15 3.05574664e+01 -9.76157998e+00 3.88471536e+00 16 2.99084341e+00 2.49404558e+01 7.90467191e+00 17 -9.38993423e+00 -6.53124388e+00 -4.79684275e+00 18 4.00732020e+00 2.32393049e+00 2.11050624e+00 19 4.32364752e+00 -7.62752690e+00 5.94906619e+00 20 -3.59374325e+00 5.22178470e+00 5.39544915e+00 21 -9.80152798e+00 -7.98783475e+00 6.61330024e+00 22 1.65936194e+01 1.81404329e+01 1.97107331e+01 23 2.12633112e+00 -5.69731042e-01 3.44197681e+00 24 1.34808781e+00 1.70226454e+00 2.93970263e+00 25 -1.71161042e+01 -5.27466253e+00 -4.92643089e+00 26 -4.93106630e+00 1.89232539e+01 -5.38108864e+00 27 1.35669038e+01 -2.62226522e+01 1.37889086e+01 28 -2.21820712e+01 2.15210757e+01 7.25001125e+00 29 -1.57462833e+00 -6.89336675e+00 1.16829040e+01 30 8.14783851e+00 1.33924135e+01 8.02729057e+00 31 1.24416456e+01 -4.84186963e+00 7.52352224e+00 32 7.72570580e+00 1.08039640e+01 1.17884380e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Pd (Configuration in file "config-F-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 250.61643004265193 Forces: 1 -4.88301648e+01 -4.46981115e+01 -2.58985376e+01 2 2.64695861e+00 -3.18069325e+00 -7.76904471e+01 3 1.12349518e+01 -2.48479970e+01 9.80202803e+00 4 -6.84716314e+01 -6.47760132e+00 3.85492382e+01 5 -4.67157666e+01 -6.27457975e+01 -2.03047884e+01 6 5.61864499e+01 5.15777664e+01 -4.13977283e+00 7 1.71917458e+01 -1.38306344e+01 1.31036755e+01 8 4.89484447e+01 5.79378126e-01 2.99287022e+01 9 -2.60687041e+01 -1.61140212e+00 -2.00062694e+01 10 -5.81465990e+01 9.89473694e+01 -2.00698691e+01 11 5.32980880e+01 3.28466466e+01 -1.03046910e+01 12 -4.56366342e+01 1.17873705e+02 -8.84861714e+01 13 5.33910904e+01 -8.06780692e+01 -1.21504416e+01 14 2.80798799e+01 1.57307257e+01 -4.67803766e+01 15 3.16485277e+01 -3.88742811e+01 1.94316823e+01 16 -2.95785308e+01 5.05881299e+01 2.83569085e+01 17 -4.96150824e+01 -1.78685902e+01 -5.22764065e+01 18 -1.62094092e+01 -4.61676157e+01 -2.74503458e+00 19 2.01276536e+01 -2.47353699e+01 5.81689868e+01 20 -2.76839775e+01 2.15403536e+01 2.65167812e+01 21 2.86656246e+01 -1.81237448e+01 -2.25259029e+01 22 1.28248711e+01 -1.48549194e+01 -9.16167493e+00 23 7.35247841e+00 -3.58701230e+00 4.83806145e+00 24 2.22727470e+01 -9.46439691e+00 2.02270991e+01 25 -2.74115583e+01 -1.47241784e+02 5.13680301e+01 26 5.80141166e+01 6.70307592e+01 -2.16193208e+01 27 -1.01633280e+01 2.98490988e+01 3.02612820e+01 28 -4.56772265e+01 1.71617738e+01 6.21430364e+01 29 2.89404977e+01 3.05779034e+01 9.76624149e+00 30 3.60207236e+01 2.00219123e+01 -3.44007198e+01 31 1.94398930e+01 -1.04686876e+01 2.94013356e+01 32 -3.60761297e+01 1.51311849e+01 3.66973356e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pd (Configuration in file "config-T-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 250.61643004265193 Forces: 1 -4.88301648e+01 -4.46981115e+01 -2.58985376e+01 2 2.64695861e+00 -3.18069325e+00 -7.76904471e+01 3 1.12349518e+01 -2.48479970e+01 9.80202803e+00 4 -6.84716314e+01 -6.47760132e+00 3.85492382e+01 5 -4.67157666e+01 -6.27457975e+01 -2.03047884e+01 6 5.61864499e+01 5.15777664e+01 -4.13977283e+00 7 1.71917458e+01 -1.38306344e+01 1.31036755e+01 8 4.89484447e+01 5.79378126e-01 2.99287022e+01 9 -2.60687041e+01 -1.61140212e+00 -2.00062694e+01 10 -5.81465990e+01 9.89473694e+01 -2.00698691e+01 11 5.32980880e+01 3.28466466e+01 -1.03046910e+01 12 -4.56366342e+01 1.17873705e+02 -8.84861714e+01 13 5.33910904e+01 -8.06780692e+01 -1.21504416e+01 14 2.80798799e+01 1.57307257e+01 -4.67803766e+01 15 3.16485277e+01 -3.88742811e+01 1.94316823e+01 16 -2.95785308e+01 5.05881299e+01 2.83569085e+01 17 -4.96150824e+01 -1.78685902e+01 -5.22764065e+01 18 -1.62094092e+01 -4.61676157e+01 -2.74503458e+00 19 2.01276536e+01 -2.47353699e+01 5.81689868e+01 20 -2.76839775e+01 2.15403536e+01 2.65167812e+01 21 2.86656246e+01 -1.81237448e+01 -2.25259029e+01 22 1.28248711e+01 -1.48549194e+01 -9.16167493e+00 23 7.35247841e+00 -3.58701230e+00 4.83806145e+00 24 2.22727470e+01 -9.46439691e+00 2.02270991e+01 25 -2.74115583e+01 -1.47241784e+02 5.13680301e+01 26 5.80141166e+01 6.70307592e+01 -2.16193208e+01 27 -1.01633280e+01 2.98490988e+01 3.02612820e+01 28 -4.56772265e+01 1.71617738e+01 6.21430364e+01 29 2.89404977e+01 3.05779034e+01 9.76624149e+00 30 3.60207236e+01 2.00219123e+01 -3.44007198e+01 31 1.94398930e+01 -1.04686876e+01 2.94013356e+01 32 -3.60761297e+01 1.51311849e+01 3.66973356e+01 MIXED STRUCTURE (pbc=False)-- Species = Fe Pd (Configuration in file "config-F-FePd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 114.93192801104685 Forces: 1 -5.34744779e+00 -1.60742848e+01 -1.41602697e+01 2 -2.42623325e+00 1.25337164e+01 -2.22521505e+01 3 -5.79902897e+01 -3.36626847e+01 -8.03986969e+00 4 -1.52460019e+01 1.28884363e+01 2.27971629e+01 5 2.79009730e+01 -2.10944721e+01 -4.28903100e+01 6 4.10961410e+01 -1.38122065e+01 -2.22345745e+01 7 1.02467838e+01 -1.35090038e+01 7.07829201e+00 8 3.02759841e+01 2.59503007e+01 2.41118560e+01 9 -1.35953433e+01 -1.31035475e+01 -1.33359579e+01 10 1.37027491e+01 1.34243974e+01 -1.13588815e+01 11 4.48941886e+00 -1.16963265e+01 -4.88734153e+00 12 -2.61825061e+01 1.08683092e+01 1.95142313e+00 13 -2.61329765e+01 3.34950157e+01 -1.79440283e+01 14 1.68583445e+01 8.98633583e+00 -1.59558571e+01 15 9.47325230e+00 -3.86311826e+00 1.84059079e+00 16 -5.94275354e+00 1.25035872e+01 6.35866792e+00 17 -4.05750893e+01 3.98110243e+00 2.36867067e+01 18 -4.24985814e+01 2.71015433e+00 -2.36880870e+01 19 -2.69676195e-01 -8.09089737e+00 1.38973768e+01 20 -4.46006524e+01 -4.18771388e+01 1.22077892e+01 21 6.15152830e+01 -3.79091090e+01 2.58326880e+01 22 1.91839517e+01 1.48677149e+01 -2.35889178e+01 23 1.11570460e+01 -1.79233708e+01 1.21896511e+01 24 -1.78547816e+01 8.59771367e+00 2.35200561e+01 25 -1.66204267e+01 -4.05149966e+01 -6.25106300e+01 26 1.15757687e+01 2.30702358e+01 2.18142225e+01 27 6.01909602e+01 2.26355356e+01 1.80259982e+01 28 -1.30121399e+01 5.29819988e+01 4.27364174e+01 29 -3.85300059e+00 -1.33539056e+00 1.46925588e+01 30 1.02415255e+01 4.27049034e+01 -2.59345920e+01 31 1.31904745e+00 -2.91977775e+01 3.43809243e+01 32 2.92067103e+00 1.46486717e+00 1.65908559e+00 MIXED STRUCTURE (pbc=True)-- Species = Fe Pd (Configuration in file "config-T-FePd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 189.31250303627908 Forces: 1 -1.03903430e+01 1.23781134e+00 -1.77567931e+01 2 -2.93062851e-01 9.19472334e+00 -1.17459143e+01 3 -5.14414638e+01 -1.69261971e+01 -2.32722900e-01 4 -5.47047047e+00 1.46695829e+01 2.48072394e+01 5 4.14772833e+01 2.01529439e+00 -3.73411168e+01 6 3.03464532e+01 -1.18732576e+01 -1.29831512e+01 7 -1.74072862e+01 -4.84379065e+00 3.40428655e+00 8 3.14851997e+01 2.74748297e+01 2.44741196e+01 9 -1.19766000e+01 -1.34916816e+01 -9.34573866e+00 10 3.67355746e+00 -4.27452042e+01 -1.19795864e+01 11 5.28663909e+00 -1.20728277e+01 -4.43366304e+00 12 -1.68135148e+01 3.98763293e+00 1.86099487e+00 13 -1.06452565e+01 3.21930869e+01 1.12826522e+01 14 1.35062132e+01 2.36923869e+00 -2.07793253e+01 15 2.59943074e+00 -6.54531056e+00 1.67573190e+00 16 -3.05794904e+00 4.81792482e+00 5.48631184e+00 17 -2.51997278e+01 1.02714929e+01 2.58746027e+01 18 -4.20061269e+01 1.94935268e+00 -2.55709765e+01 19 -1.02669437e+01 7.68419338e+00 5.49088621e+00 20 -3.12957373e+01 -4.20095032e+01 5.11921915e+00 21 6.34091374e+01 -3.31864897e+01 2.89534828e+01 22 1.95205494e+01 1.51721930e+01 -2.37531618e+01 23 3.76582902e+00 -1.74537856e+01 1.34632959e+01 24 -1.75110735e+01 1.06816961e+01 1.85352048e+01 25 2.97686016e+01 -6.37163275e+01 -6.93742162e+01 26 1.36970039e+01 2.13867120e+01 2.25472626e+01 27 4.27423197e+01 2.41267309e+01 -1.39401883e+01 28 4.37300806e+01 7.07586220e+01 5.96837206e+01 29 -4.70877850e+00 -3.03565784e+00 1.51869608e+01 30 -3.85332179e+01 4.63451144e+01 -3.25969829e+01 31 -5.97081656e+01 -2.77482288e+01 2.52857276e+01 32 1.17174193e+01 -1.06879705e+01 -1.29816195e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1416804== Memcheck, a memory error detector ==1416804== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1416804== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1416804== Command: python runner2.py MEAM_LAMMPS_JeongParkDo_2018_PdFe__MO_924736622203_001 ==1416804== ==1418037== Warning: invalid file descriptor 1024 in syscall close() ==1418037== Warning: invalid file descriptor 1025 in syscall close() ==1418037== Warning: invalid file descriptor 1026 in syscall close() ==1418037== Warning: invalid file descriptor 1027 in syscall close() ==1418037== Use --log-fd= to select an alternative log fd. ==1418037== Warning: invalid file descriptor 1028 in syscall close() ==1418037== Warning: invalid file descriptor 1029 in syscall close() ==1416804== Mismatched free() / delete / delete [] ==1416804== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1416804== by 0x12C78438C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== 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) ==1416804== 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) ==1416804== 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) ==1416804== 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) ==1416804== 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) ==1416804== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1416804== Address 0xa8f7c4d0 is 0 bytes inside a block of size 1,024 alloc'd ==1416804== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1416804== by 0x12C783B11: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== 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) ==1416804== 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) ==1416804== 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) ==1416804== 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) ==1416804== 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) ==1416804== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1416804== ==1416804== Mismatched free() / delete / delete [] ==1416804== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1416804== by 0x12C77EDBD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== 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) ==1416804== 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) ==1416804== 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) ==1416804== 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) ==1416804== 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) ==1416804== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1416804== Address 0xa8f7d760 is 0 bytes inside a block of size 1,024 alloc'd ==1416804== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1416804== by 0x12C77EB9B: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_924736622203_001-1669765230/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416804== 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) ==1416804== 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) ==1416804== 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) ==1416804== 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) ==1416804== 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) ==1416804== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1416804== ==1416804== ==1416804== HEAP SUMMARY: ==1416804== in use at exit: 2,257,671 bytes in 1,702 blocks ==1416804== total heap usage: 93,062 allocs, 91,360 frees, 115,251,848 bytes allocated ==1416804== ==1416804== LEAK SUMMARY: ==1416804== definitely lost: 0 bytes in 0 blocks ==1416804== indirectly lost: 0 bytes in 0 blocks ==1416804== possibly lost: 180,827 bytes in 103 blocks ==1416804== still reachable: 2,076,812 bytes in 1,598 blocks ==1416804== of which reachable via heuristic: ==1416804== stdstring : 38 bytes in 1 blocks ==1416804== suppressed: 32 bytes in 1 blocks ==1416804== Rerun with --leak-check=full to see details of leaked memory ==1416804== ==1416804== For lists of detected and suppressed errors, rerun with: -s ==1416804== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 7928 from 544) ================================================================================ 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) ===