!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! VERIFICATION CHECK: vc-memory-leak !!!!! !!!!! !!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Description: Check that the model has no memory leaks. This is tested using the Valgrind memory debugging tool (http://valgrind.org) by performing a series of energy and force calculations on a randomly distorted face-centered cubic (FCC) cube base structure for both non-periodic and periodic boundary conditions. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. Configurations used for testing are provided as auxiliary files. Author: Ellad Tadmor and Daniel S. Karls ----------------------------------------------------------------------------------------------------- Results for KIM Model : MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_001 Supported species : Al Pt random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 81.72794735611254 Forces: 1 -4.14383690e+00 -9.14143589e+00 -9.45256653e+00 2 -4.45265995e+00 6.28396469e+00 -9.56192434e+00 3 4.38365971e+00 -1.65623394e+01 -7.07411897e+00 4 -1.04069667e+01 6.74890883e+00 3.14907862e+00 5 -1.75363435e+00 -1.53625023e+01 -3.97830424e+00 6 1.03081231e+01 5.44449448e+00 -1.06311085e+01 7 5.74578399e+00 -2.49827761e+01 -1.74281725e+01 8 -9.58145065e+00 -8.82057376e+00 -2.35460573e+00 9 -9.50698569e+00 -7.47403553e+00 -1.52537794e+01 10 -8.15832995e+00 2.22153307e+01 -2.78277051e+01 11 -6.00347636e+00 -1.83447695e+01 2.37123061e+00 12 -1.21482158e+01 1.60139302e+01 2.28444026e+00 13 -2.23420797e+00 -7.32804008e+00 -3.22320618e+01 14 7.71531887e+00 1.04174295e+01 -7.25562341e+00 15 2.95497638e+01 -6.47554899e+00 5.09154656e+00 16 1.32094635e+01 2.12288589e+01 1.27994164e+01 17 -1.50968471e+01 -8.69393597e+00 -3.78681589e+00 18 4.42846715e+00 9.48669152e+00 8.22373602e+00 19 6.80882367e+00 -9.16841549e+00 9.07237104e+00 20 -6.64260653e+00 8.15849068e+00 8.46207648e+00 21 -1.24293371e+01 -1.49762949e+01 4.34625300e+00 22 2.33064761e+01 2.15841618e+01 1.72635942e+01 23 1.21812670e+01 -7.39593520e+00 7.20676551e+00 24 -7.97780203e+00 8.13168319e+00 8.49534470e+00 25 -1.14267255e+01 -6.52042356e+00 5.71012424e+00 26 -6.55273326e+00 1.84225820e+01 -3.84545173e+00 27 9.42523420e+00 -2.96087614e+01 1.11535080e+01 28 -2.49373140e+01 2.16865504e+01 8.44888714e+00 29 -5.01348813e+00 -8.00736994e+00 5.68585709e+00 30 9.28678057e+00 1.45595255e+01 3.86335813e+00 31 1.44980673e+01 -7.39796863e+00 1.05637649e+01 32 7.61938903e+00 1.58785242e+01 1.64908851e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 81.72794735611254 Forces: 1 -4.14383690e+00 -9.14143589e+00 -9.45256653e+00 2 -4.45265995e+00 6.28396469e+00 -9.56192434e+00 3 4.38365971e+00 -1.65623394e+01 -7.07411897e+00 4 -1.04069667e+01 6.74890883e+00 3.14907862e+00 5 -1.75363435e+00 -1.53625023e+01 -3.97830424e+00 6 1.03081231e+01 5.44449448e+00 -1.06311085e+01 7 5.74578399e+00 -2.49827761e+01 -1.74281725e+01 8 -9.58145065e+00 -8.82057376e+00 -2.35460573e+00 9 -9.50698569e+00 -7.47403553e+00 -1.52537794e+01 10 -8.15832995e+00 2.22153307e+01 -2.78277051e+01 11 -6.00347636e+00 -1.83447695e+01 2.37123061e+00 12 -1.21482158e+01 1.60139302e+01 2.28444026e+00 13 -2.23420797e+00 -7.32804008e+00 -3.22320618e+01 14 7.71531887e+00 1.04174295e+01 -7.25562341e+00 15 2.95497638e+01 -6.47554899e+00 5.09154656e+00 16 1.32094635e+01 2.12288589e+01 1.27994164e+01 17 -1.50968471e+01 -8.69393597e+00 -3.78681589e+00 18 4.42846715e+00 9.48669152e+00 8.22373602e+00 19 6.80882367e+00 -9.16841549e+00 9.07237104e+00 20 -6.64260653e+00 8.15849068e+00 8.46207648e+00 21 -1.24293371e+01 -1.49762949e+01 4.34625300e+00 22 2.33064761e+01 2.15841618e+01 1.72635942e+01 23 1.21812670e+01 -7.39593520e+00 7.20676551e+00 24 -7.97780203e+00 8.13168319e+00 8.49534470e+00 25 -1.14267255e+01 -6.52042356e+00 5.71012424e+00 26 -6.55273326e+00 1.84225820e+01 -3.84545173e+00 27 9.42523420e+00 -2.96087614e+01 1.11535080e+01 28 -2.49373140e+01 2.16865504e+01 8.44888714e+00 29 -5.01348813e+00 -8.00736994e+00 5.68585709e+00 30 9.28678057e+00 1.45595255e+01 3.86335813e+00 31 1.44980673e+01 -7.39796863e+00 1.05637649e+01 32 7.61938903e+00 1.58785242e+01 1.64908851e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Pt (Configuration in file "config-F-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 360.41279842873524 Forces: 1 -2.17576654e+01 -1.71137724e+01 -2.68946185e+01 2 -3.21843900e+01 -5.92303122e+01 -5.56053891e+01 3 -1.72474937e+01 -2.77351672e+01 -3.09051415e+01 4 -4.24589375e+01 3.98146852e+01 -2.41884610e+01 5 1.35359739e+01 -1.87044673e+01 -1.65510668e+01 6 1.45814158e+01 -5.95901422e+00 -1.60268138e+01 7 3.42392159e+01 -4.89939946e+01 -3.45197215e+01 8 6.11975811e+00 1.17588595e+01 -3.79877566e+00 9 -5.14014801e+01 -2.19187312e+01 -2.99829264e+01 10 2.09102422e+01 3.73471436e+01 -6.48623430e+01 11 -1.65265085e+01 1.35771813e+01 5.33783204e+01 12 -3.13987624e+01 2.37355309e+01 5.42619342e+01 13 3.85031746e+01 8.22682140e+00 -7.62647342e+01 14 7.84724673e+01 1.19906540e+02 -1.29115287e+02 15 2.53883167e+01 -1.44314829e+02 7.06854362e+01 16 -6.66002547e+01 7.17717519e+01 1.60541130e+01 17 -3.29189881e+01 -3.69796104e+01 3.28249575e+01 18 -3.66053233e+01 -7.73519582e+01 -5.26479965e+01 19 2.53858330e+00 -1.83975649e+01 1.86387203e+01 20 -3.79927383e+01 -3.22979872e+01 4.87171097e+01 21 4.80039250e+01 -4.36121079e+01 4.37540385e+01 22 2.98083474e+01 1.28593571e+01 2.72649994e+01 23 3.49459586e+00 -7.94704956e+00 3.82613950e+00 24 -9.21687076e+00 -8.73670934e+01 8.50624234e+01 25 -8.05803123e+01 -2.58823755e+01 -7.57830153e+01 26 2.06402845e+01 8.56104744e+01 -4.45732383e+01 27 -9.46109147e+00 4.60153421e+01 1.59010275e+02 28 -3.18343965e+01 4.48033668e+01 4.97584023e+01 29 -2.75054952e+01 3.76630665e+01 -1.59427708e+02 30 4.11140925e+01 6.12135463e+01 3.79366828e+01 31 1.62979870e+02 3.45256439e+01 1.19748755e+02 32 5.36044537e+00 2.49767250e+01 2.02249289e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pt (Configuration in file "config-T-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 360.41279842873524 Forces: 1 -2.17576654e+01 -1.71137724e+01 -2.68946185e+01 2 -3.21843900e+01 -5.92303122e+01 -5.56053891e+01 3 -1.72474937e+01 -2.77351672e+01 -3.09051415e+01 4 -4.24589375e+01 3.98146852e+01 -2.41884610e+01 5 1.35359739e+01 -1.87044673e+01 -1.65510668e+01 6 1.45814158e+01 -5.95901422e+00 -1.60268138e+01 7 3.42392159e+01 -4.89939946e+01 -3.45197215e+01 8 6.11975811e+00 1.17588595e+01 -3.79877566e+00 9 -5.14014801e+01 -2.19187312e+01 -2.99829264e+01 10 2.09102422e+01 3.73471436e+01 -6.48623430e+01 11 -1.65265085e+01 1.35771813e+01 5.33783204e+01 12 -3.13987624e+01 2.37355309e+01 5.42619342e+01 13 3.85031746e+01 8.22682140e+00 -7.62647342e+01 14 7.84724673e+01 1.19906540e+02 -1.29115287e+02 15 2.53883167e+01 -1.44314829e+02 7.06854362e+01 16 -6.66002547e+01 7.17717519e+01 1.60541130e+01 17 -3.29189881e+01 -3.69796104e+01 3.28249575e+01 18 -3.66053233e+01 -7.73519582e+01 -5.26479965e+01 19 2.53858330e+00 -1.83975649e+01 1.86387203e+01 20 -3.79927383e+01 -3.22979872e+01 4.87171097e+01 21 4.80039250e+01 -4.36121079e+01 4.37540385e+01 22 2.98083474e+01 1.28593571e+01 2.72649994e+01 23 3.49459586e+00 -7.94704956e+00 3.82613950e+00 24 -9.21687076e+00 -8.73670934e+01 8.50624234e+01 25 -8.05803123e+01 -2.58823755e+01 -7.57830153e+01 26 2.06402845e+01 8.56104744e+01 -4.45732383e+01 27 -9.46109147e+00 4.60153421e+01 1.59010275e+02 28 -3.18343965e+01 4.48033668e+01 4.97584023e+01 29 -2.75054952e+01 3.76630665e+01 -1.59427708e+02 30 4.11140925e+01 6.12135463e+01 3.79366828e+01 31 1.62979870e+02 3.45256439e+01 1.19748755e+02 32 5.36044537e+00 2.49767250e+01 2.02249289e+01 MIXED STRUCTURE (pbc=False)-- Species = Al Pt (Configuration in file "config-F-AlPt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 358.95421697534863 Forces: 1 -1.36756516e+02 -6.22402614e+01 -1.63108757e+02 2 -1.72181557e+01 7.99710273e+01 -8.79501620e+01 3 3.65049473e+01 -1.24087816e+02 1.30218001e+02 4 -7.61125017e+01 5.95354908e+01 5.53506014e+01 5 5.37625910e+01 -8.20194281e+01 -5.38130561e+01 6 4.43322167e+01 3.08587255e+01 -3.69614835e+01 7 2.08217352e+01 -2.82071527e+01 2.27753073e+01 8 9.52328739e+01 2.13786369e+01 5.24622420e+00 9 -1.62869069e+01 -1.55147544e+00 -1.33613999e+01 10 1.12069863e+01 8.24824602e+00 -1.95110339e+01 11 -4.67051613e+01 5.10952918e+01 -6.08318370e+01 12 -1.91462396e+01 1.17281631e+01 1.58648216e+01 13 7.45457057e+00 2.54554678e+01 -2.79992506e+01 14 3.77183879e+01 2.28725747e+01 -5.53006486e+01 15 3.01224761e+01 -2.50190263e+01 -2.53638458e-01 16 -3.14715512e+01 2.16736394e+01 2.30348315e+01 17 -4.98648128e+01 -2.43885474e+01 -1.79062370e+00 18 -5.81829410e+01 3.37708860e+01 2.40326845e+01 19 -2.62853154e+01 -5.09234884e+01 8.36241667e+01 20 -4.43053382e+01 -4.29252880e+01 4.16616849e+01 21 8.50813943e+01 -1.05378488e+02 -4.75217920e+01 22 2.66257862e+01 4.30238345e+01 -4.15669704e+01 23 3.44934792e+01 -5.71342077e+01 4.05262571e+01 24 1.36638677e+00 3.69348343e+01 5.56090090e+01 25 -4.98548904e+01 4.75001471e+00 -4.10982945e+01 26 -7.68917892e+00 8.07045190e+01 3.20305233e+01 27 4.74675683e+01 2.70056574e+01 4.32206357e+01 28 -1.79083226e+01 3.25587021e+01 1.94937421e+01 29 4.36225852e+01 -1.48966380e+01 2.09786909e+01 30 9.41076604e+00 2.68254298e+01 5.09754273e+00 31 8.73839069e+00 -5.67288193e+00 1.81237707e+01 32 3.82468972e+00 6.05355766e+00 1.41804534e+01 MIXED STRUCTURE (pbc=True)-- Species = Al Pt (Configuration in file "config-T-AlPt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 528.1593956777574 Forces: 1 -1.47088895e+02 -5.17524006e+01 -1.70079665e+02 2 6.97239014e-01 6.89184746e+01 -4.75875341e+01 3 7.03569060e+01 -2.87597531e+01 1.54712487e+02 4 -6.37260202e+01 6.75675997e+01 6.32276407e+01 5 5.12006687e+01 -3.28937382e+01 -4.42021796e+01 6 3.12257702e+01 5.00373006e+01 -1.58411602e+01 7 1.00750523e+01 -1.18553478e+01 3.64212282e+01 8 8.87554323e+01 9.98708492e+00 8.40274791e+00 9 -1.04939615e+01 -5.06578724e+00 -4.31749816e+00 10 1.14294923e+01 -5.55549132e+01 -3.15057162e+01 11 -4.31562288e+01 4.83517663e+01 -5.69238280e+01 12 -4.27181193e+01 -4.95063085e+01 3.00946191e+01 13 2.22157383e+01 2.86621605e+01 -8.95863460e+00 14 5.15725061e+01 -6.79148670e+00 -5.42185422e+01 15 1.10891201e+01 -2.62021493e+01 8.76631915e+00 16 -2.84655604e+01 -1.02552652e+01 3.63919534e+01 17 -3.23653608e+01 -1.69658859e+01 -3.08109546e+00 18 -5.65809696e+01 3.49442963e+01 2.06748703e+01 19 -5.89587470e+01 -1.08215591e+01 6.87150463e+01 20 -4.35772678e+01 -3.68527085e+01 2.47798126e+01 21 8.65850440e+01 -8.04523003e+01 -5.82988096e+01 22 5.37427774e+00 3.91348639e+01 -3.79387854e+01 23 3.07339756e+01 -5.36002300e+01 2.27565022e+01 24 2.62707674e+00 4.36100444e+01 3.38208608e+01 25 -2.45258552e+01 2.38582129e+00 -4.57971846e+01 26 -8.71448946e+00 4.25217340e+01 2.36285783e+01 27 4.98757964e+01 3.96095683e+01 -8.88371031e+00 28 -1.54604381e+01 4.32280041e+01 1.13544185e+01 29 4.20982684e+01 -1.58562198e+01 1.89313145e+01 30 2.58124122e+00 1.44780686e+01 1.67255813e+00 31 -1.68329950e+01 -9.07160928e+00 1.82282513e+01 32 2.41713029e+01 -3.11791247e+01 5.05513579e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1812642== Memcheck, a memory error detector ==1812642== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1812642== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1812642== Command: python runner2.py MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_001 ==1812642== ==1813923== Warning: invalid file descriptor 1024 in syscall close() ==1813923== Warning: invalid file descriptor 1025 in syscall close() ==1813923== Warning: invalid file descriptor 1026 in syscall close() ==1813923== Warning: invalid file descriptor 1027 in syscall close() ==1813923== Use --log-fd= to select an alternative log fd. ==1813923== Warning: invalid file descriptor 1028 in syscall close() ==1813923== Warning: invalid file descriptor 1029 in syscall close() ==1812642== Mismatched free() / delete / delete [] ==1812642== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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) ==1812642== 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) ==1812642== 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) ==1812642== 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) ==1812642== 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) ==1812642== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812642== Address 0xa8f7c530 is 0 bytes inside a block of size 1,024 alloc'd ==1812642== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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) ==1812642== 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) ==1812642== 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) ==1812642== 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) ==1812642== 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) ==1812642== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812642== ==1812642== Mismatched free() / delete / delete [] ==1812642== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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) ==1812642== 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) ==1812642== 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) ==1812642== 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) ==1812642== 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) ==1812642== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812642== Address 0xa8f7d770 is 0 bytes inside a block of size 1,024 alloc'd ==1812642== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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_793141037706_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812642== 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) ==1812642== 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) ==1812642== 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) ==1812642== 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) ==1812642== 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) ==1812642== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812642== ==1812642== ==1812642== HEAP SUMMARY: ==1812642== in use at exit: 2,257,671 bytes in 1,702 blocks ==1812642== total heap usage: 93,074 allocs, 91,372 frees, 115,462,222 bytes allocated ==1812642== ==1812642== LEAK SUMMARY: ==1812642== definitely lost: 0 bytes in 0 blocks ==1812642== indirectly lost: 0 bytes in 0 blocks ==1812642== possibly lost: 180,827 bytes in 103 blocks ==1812642== still reachable: 2,076,812 bytes in 1,598 blocks ==1812642== of which reachable via heuristic: ==1812642== stdstring : 38 bytes in 1 blocks ==1812642== suppressed: 32 bytes in 1 blocks ==1812642== Rerun with --leak-check=full to see details of leaked memory ==1812642== ==1812642== For lists of detected and suppressed errors, rerun with: -s ==1812642== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 7931 from 539) ================================================================================ 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.