!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_PdTi__MO_086900950763_001 Supported species : Pd Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pd (Configuration in file "config-F-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 280.28801311373815 Forces: 1 -4.95394159e+00 -2.31106439e+01 -2.23681394e+01 2 -2.52507162e+01 1.73274779e+01 -2.36137657e+01 3 1.30271784e+01 -4.32172861e+01 -1.90192802e+01 4 -2.91269619e+01 1.88352743e+01 1.12549852e+01 5 2.07522350e+00 -4.64610733e+01 -9.17953877e+00 6 2.09003590e+01 1.68538385e+01 -2.32246731e+01 7 7.34162927e+00 -8.30581857e+01 -6.71704025e+01 8 -1.53955796e+01 -4.21024201e+01 2.29598928e+00 9 -3.30775563e+01 -1.87408236e+01 -4.16881949e+01 10 -8.59092923e+00 8.61909879e+01 -5.38648082e+01 11 -4.50166037e+01 -6.44576509e+01 4.84823978e+01 12 -4.12649125e+01 5.70806331e+01 -3.41917946e+00 13 5.55691228e+01 -1.82531425e+01 -7.70282723e+01 14 1.26272372e+01 1.85509291e+01 -1.07970685e+01 15 8.08482063e+01 -7.66555992e+00 -9.57762870e+00 16 2.13754424e+01 8.12567378e+01 -2.51586858e+01 17 -3.96758125e+01 -2.10626174e+01 -1.20944706e+01 18 9.35135327e+00 3.05205951e+01 1.46280455e+01 19 1.82532673e+01 -2.59569364e+01 2.23285747e+01 20 -1.49118111e+01 2.12286083e+01 1.98499231e+01 21 -3.80114205e+01 -2.87736092e+01 1.81157883e+01 22 6.14135042e+01 7.93673237e+01 6.20755727e+01 23 1.10690239e+01 -4.94464981e+00 1.73800613e+01 24 8.22750938e+00 5.30195994e-01 1.36581093e+01 25 -1.61327810e+01 -2.56995773e+01 2.74568883e+01 26 -6.84716834e+01 6.26258862e+01 -3.66319721e+00 27 4.96661519e+01 -1.12039369e+02 2.49008149e+01 28 -8.87678056e+01 8.60150340e+01 9.37778599e+00 29 -6.77240094e+00 -7.75161724e+01 1.64739267e+01 30 3.97870186e+01 3.95600471e+01 1.01080017e+01 31 3.37195986e+01 -2.29605472e+01 2.83240275e+01 32 3.01690901e+01 5.00766957e+01 5.51564130e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pd (Configuration in file "config-T-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 280.28801311373815 Forces: 1 -4.95394159e+00 -2.31106439e+01 -2.23681394e+01 2 -2.52507162e+01 1.73274779e+01 -2.36137657e+01 3 1.30271784e+01 -4.32172861e+01 -1.90192802e+01 4 -2.91269619e+01 1.88352743e+01 1.12549852e+01 5 2.07522350e+00 -4.64610733e+01 -9.17953877e+00 6 2.09003590e+01 1.68538385e+01 -2.32246731e+01 7 7.34162927e+00 -8.30581857e+01 -6.71704025e+01 8 -1.53955796e+01 -4.21024201e+01 2.29598928e+00 9 -3.30775563e+01 -1.87408236e+01 -4.16881949e+01 10 -8.59092923e+00 8.61909879e+01 -5.38648082e+01 11 -4.50166037e+01 -6.44576509e+01 4.84823978e+01 12 -4.12649125e+01 5.70806331e+01 -3.41917946e+00 13 5.55691228e+01 -1.82531425e+01 -7.70282723e+01 14 1.26272372e+01 1.85509291e+01 -1.07970685e+01 15 8.08482063e+01 -7.66555992e+00 -9.57762870e+00 16 2.13754424e+01 8.12567378e+01 -2.51586858e+01 17 -3.96758125e+01 -2.10626174e+01 -1.20944706e+01 18 9.35135327e+00 3.05205951e+01 1.46280455e+01 19 1.82532673e+01 -2.59569364e+01 2.23285747e+01 20 -1.49118111e+01 2.12286083e+01 1.98499231e+01 21 -3.80114205e+01 -2.87736092e+01 1.81157883e+01 22 6.14135042e+01 7.93673237e+01 6.20755727e+01 23 1.10690239e+01 -4.94464981e+00 1.73800613e+01 24 8.22750938e+00 5.30195994e-01 1.36581093e+01 25 -1.61327810e+01 -2.56995773e+01 2.74568883e+01 26 -6.84716834e+01 6.26258862e+01 -3.66319721e+00 27 4.96661519e+01 -1.12039369e+02 2.49008149e+01 28 -8.87678056e+01 8.60150340e+01 9.37778599e+00 29 -6.77240094e+00 -7.75161724e+01 1.64739267e+01 30 3.97870186e+01 3.95600471e+01 1.01080017e+01 31 3.37195986e+01 -2.29605472e+01 2.83240275e+01 32 3.01690901e+01 5.00766957e+01 5.51564130e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 82.21170917397679 Forces: 1 -6.10250607e+00 -7.49925060e+00 -8.98563915e+00 2 -4.55716297e+00 -2.55107876e+00 -1.97339307e+01 3 4.33930879e+00 -2.15736080e+01 -8.10281813e+00 4 -1.84090843e+01 1.36881578e+01 -4.47382351e+00 5 -1.31904726e+00 -1.01920751e+01 -1.04737337e+01 6 1.20498220e+01 -5.09843406e+00 -1.05574012e+01 7 1.38771959e+01 -8.46976491e+00 -6.32440199e+00 8 1.08350338e+01 -1.00594226e+01 -1.96641265e+00 9 -5.95518782e+00 6.46776742e-01 -7.06071083e+00 10 -2.59259344e+00 6.10363310e+00 -1.00632070e+01 11 -2.47604094e+01 5.90069747e+00 -1.40238267e+00 12 -7.56958121e+00 6.87863648e+00 1.50968538e+00 13 1.04037776e+00 5.09480877e+00 -2.29886142e+01 14 4.70235201e+00 5.98123561e+00 -6.44864605e+00 15 1.88732637e+01 4.63948262e+00 5.70671760e+00 16 1.91291546e+00 1.53610616e+01 -1.18524087e+01 17 -1.72215108e+01 -2.49158279e+01 8.09892958e+00 18 9.04410575e+00 1.87470610e+01 -1.09691562e+01 19 4.58164500e+00 -2.63190387e+01 2.66266714e+01 20 -1.92978432e+01 4.73456341e+00 1.21208717e+01 21 -3.54168591e+00 -1.65209341e+01 6.55057319e+00 22 1.64007285e+01 5.40765117e+00 -6.18833595e+00 23 1.01716169e+01 -1.63832710e+01 9.99690579e+00 24 -9.54765858e+00 6.81942589e+00 1.58163035e+01 25 -1.08134011e+01 3.64635503e+00 -4.25263049e+00 26 -9.46635830e+00 1.19883661e+01 1.11391319e+01 27 9.44389366e+00 -5.98247223e+00 8.42770689e+00 28 -1.11397427e+01 1.27613825e+01 5.35848624e+00 29 1.13884532e+01 6.80918520e+00 2.13964502e+01 30 1.36823991e+01 9.32130200e+00 9.62013313e+00 31 9.55316441e+00 4.83155339e+00 4.65660710e+00 32 3.97497315e-01 6.20384207e+00 4.81907955e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 82.21170917397679 Forces: 1 -6.10250607e+00 -7.49925060e+00 -8.98563915e+00 2 -4.55716297e+00 -2.55107876e+00 -1.97339307e+01 3 4.33930879e+00 -2.15736080e+01 -8.10281813e+00 4 -1.84090843e+01 1.36881578e+01 -4.47382351e+00 5 -1.31904726e+00 -1.01920751e+01 -1.04737337e+01 6 1.20498220e+01 -5.09843406e+00 -1.05574012e+01 7 1.38771959e+01 -8.46976491e+00 -6.32440199e+00 8 1.08350338e+01 -1.00594226e+01 -1.96641265e+00 9 -5.95518782e+00 6.46776742e-01 -7.06071083e+00 10 -2.59259344e+00 6.10363310e+00 -1.00632070e+01 11 -2.47604094e+01 5.90069747e+00 -1.40238267e+00 12 -7.56958121e+00 6.87863648e+00 1.50968538e+00 13 1.04037776e+00 5.09480877e+00 -2.29886142e+01 14 4.70235201e+00 5.98123561e+00 -6.44864605e+00 15 1.88732637e+01 4.63948262e+00 5.70671760e+00 16 1.91291546e+00 1.53610616e+01 -1.18524087e+01 17 -1.72215108e+01 -2.49158279e+01 8.09892958e+00 18 9.04410575e+00 1.87470610e+01 -1.09691562e+01 19 4.58164500e+00 -2.63190387e+01 2.66266714e+01 20 -1.92978432e+01 4.73456341e+00 1.21208717e+01 21 -3.54168591e+00 -1.65209341e+01 6.55057319e+00 22 1.64007285e+01 5.40765117e+00 -6.18833595e+00 23 1.01716169e+01 -1.63832710e+01 9.99690579e+00 24 -9.54765858e+00 6.81942589e+00 1.58163035e+01 25 -1.08134011e+01 3.64635503e+00 -4.25263049e+00 26 -9.46635830e+00 1.19883661e+01 1.11391319e+01 27 9.44389366e+00 -5.98247223e+00 8.42770689e+00 28 -1.11397427e+01 1.27613825e+01 5.35848624e+00 29 1.13884532e+01 6.80918520e+00 2.13964502e+01 30 1.36823991e+01 9.32130200e+00 9.62013313e+00 31 9.55316441e+00 4.83155339e+00 4.65660710e+00 32 3.97497315e-01 6.20384207e+00 4.81907955e+00 MIXED STRUCTURE (pbc=False)-- Species = Pd Ti (Configuration in file "config-F-PdTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 223.0836467627677 Forces: 1 -2.18929951e+01 -1.44771582e+01 -1.94503191e+01 2 -2.20866930e+00 1.76779390e+01 -3.38537629e+01 3 4.86973612e+00 -2.75878582e+01 2.13040177e+01 4 -2.44214975e+01 1.68095178e+01 -8.00921042e+00 5 7.93718356e+00 -2.12848900e+01 -2.03963864e+01 6 1.26636583e+01 7.13256619e+00 -1.57858414e+01 7 1.56094697e+01 -1.91341060e+01 5.83251605e+00 8 5.69506017e+00 -6.89269405e+00 2.18351346e+00 9 -1.30825140e+01 1.09324212e+00 -1.12308465e+01 10 -3.70347719e+01 4.47563185e+01 -3.68608737e+01 11 -1.74266201e+01 -2.05059469e+00 3.84294366e+01 12 -1.93192309e+01 1.49946230e+01 -7.02036485e+00 13 3.07541148e+01 -2.62482258e+01 -5.24751774e+01 14 1.10356573e+01 1.65371218e+01 -1.49097322e+01 15 2.81359184e+01 -9.65438308e+00 2.74934924e+00 16 1.41071106e+01 2.39554087e+01 -3.78952189e+00 17 -2.06872333e+01 -2.04625250e+01 1.27772419e+01 18 -2.40783323e+01 2.00406329e+01 -4.39878597e+01 19 -4.76259678e+01 -5.02014313e+01 6.36178610e+01 20 -4.75300504e+01 -3.76779272e+01 2.64180466e+01 21 2.69827447e+01 -7.39404817e+01 -4.56960634e+01 22 2.45554727e+01 5.89290722e+00 -2.21093437e+01 23 2.62628542e+01 -2.08001022e+01 2.34052946e+01 24 8.85511471e+00 3.41683278e+01 5.85411560e+01 25 -3.57615676e+01 -1.96702225e+01 -7.71981453e+00 26 1.49926739e+01 3.43012788e+01 2.32865514e+00 27 4.60417576e+01 4.66372051e+01 1.79321984e+01 28 -1.73527270e+01 1.62201344e+01 2.43693791e+01 29 -3.87210539e-01 9.23946824e+00 1.21215565e+01 30 1.34053604e+01 1.56958570e+01 6.05640525e+00 31 3.69136922e+01 2.15797933e+01 1.17945215e+01 32 -8.19172226e-03 3.35025807e+00 1.34339693e+01 MIXED STRUCTURE (pbc=True)-- Species = Pd Ti (Configuration in file "config-T-PdTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 306.56213582261415 Forces: 1 -2.04234132e+01 -6.68964304e+00 -1.91508589e+01 2 4.80077828e+00 2.21962751e+01 -1.59722651e+01 3 1.14634957e+01 -7.29704541e+00 1.96801477e+01 4 -1.28663900e+01 1.98107666e+01 -9.66253461e+00 5 1.18312019e+01 -1.10993340e+01 -1.18894964e+01 6 7.38379186e+00 7.76608483e+00 9.97358802e-01 7 5.19600338e+00 -7.70510695e+00 7.82646112e+00 8 4.75738586e+00 -7.22310153e+00 3.21117797e+00 9 8.26706941e-01 -2.18904628e+00 -3.80960123e+00 10 -3.47592265e+01 2.78723659e+01 -3.13468890e+01 11 -2.28499187e+01 -8.12287992e+00 3.74630962e+01 12 -6.39110013e+00 -4.98894976e+00 -9.55338935e+00 13 3.12497567e+01 -2.57191776e+01 -4.63587008e+01 14 1.22958487e+00 1.03885657e+01 -1.66265593e+01 15 1.07405687e+01 -1.39914067e+01 5.20284073e+00 16 1.22762746e+01 1.18731721e+01 -3.43181781e-01 17 -3.36797690e+00 -5.75285728e+00 1.46343961e+01 18 -2.55646569e+01 1.95079274e+01 -4.62397087e+01 19 -4.74043817e+01 -4.14105201e+01 5.05000215e+01 20 -1.57987253e+01 -5.20357822e+01 1.67839259e+01 21 2.05001547e+01 -5.43347170e+01 -4.69697570e+01 22 1.25020381e+01 8.30881066e+00 -2.06153676e+01 23 2.33222256e+01 -1.72307464e+01 2.20901619e+01 24 3.37283924e+00 3.83922871e+01 4.56029421e+01 25 -2.20797624e+01 -2.16852538e+01 -1.15215195e+01 26 1.85896056e+01 2.58669182e+01 3.11887533e+00 27 5.02048087e+01 4.21310125e+01 1.60668404e+01 28 -1.02398149e+01 1.79193542e+01 2.33635935e+01 29 -7.43481037e-01 4.82426485e+00 1.10681473e+01 30 -1.45120239e+00 1.35276363e+00 7.42405865e+00 31 -7.83967040e+00 3.74487895e+01 -1.33081055e+00 32 1.53249980e+00 -8.18379018e+00 6.35659459e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==156867== Memcheck, a memory error detector ==156867== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==156867== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==156867== Command: python runner2.py MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_001 ==156867== ==158342== Warning: invalid file descriptor 255988 in syscall close() ==158342== Warning: invalid file descriptor 255989 in syscall close() ==158342== Warning: invalid file descriptor 255990 in syscall close() ==158342== Warning: invalid file descriptor 255991 in syscall close() ==158342== Use --log-fd= to select an alternative log fd. ==158342== Warning: invalid file descriptor 255992 in syscall close() ==158342== Warning: invalid file descriptor 255993 in syscall close() ==156867== Mismatched free() / delete / delete [] ==156867== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==156867== by 0x38E8F39C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x38D6254D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x38D63C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x38D4CDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x38D505CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x1C83DF1E: 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) ==156867== by 0x1C83EE18: 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) ==156867== by 0x1C843762: 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) ==156867== by 0x1C7F3246: 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) ==156867== by 0x1608B4C7: 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) ==156867== by 0x1609F2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==156867== Address 0x38adc680 is 0 bytes inside a block of size 1,024 alloc'd ==156867== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==156867== by 0x38E8EB21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x38D6254D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x38D63C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x38D4CDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x38D505CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x1C83DF1E: 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) ==156867== by 0x1C83EE18: 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) ==156867== by 0x1C843762: 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) ==156867== by 0x1C7F3246: 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) ==156867== by 0x1608B4C7: 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) ==156867== by 0x1609F2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==156867== ==156867== Mismatched free() / delete / delete [] ==156867== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==156867== by 0x38E89DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x38D62578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x38D63C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x38D4CDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x38D505CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x1C83DF1E: 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) ==156867== by 0x1C83EE18: 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) ==156867== by 0x1C843762: 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) ==156867== by 0x1C7F3246: 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) ==156867== by 0x1608B4C7: 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) ==156867== by 0x1609F2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==156867== Address 0x38add910 is 0 bytes inside a block of size 1,024 alloc'd ==156867== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==156867== by 0x38E89BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x38D62578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x38D63C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x38D4CDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x38D505CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-99f70f6b-5a35-401c-8e90-3159ce45e90b-007-1776ab26-7805-4769-ad0c-120bef2db368/VC_561022993723_003-and-MO_086900950763_001-1653018995/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==156867== by 0x1C83DF1E: 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) ==156867== by 0x1C83EE18: 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) ==156867== by 0x1C843762: 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) ==156867== by 0x1C7F3246: 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) ==156867== by 0x1608B4C7: 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) ==156867== by 0x1609F2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==156867== ==156867== ==156867== HEAP SUMMARY: ==156867== in use at exit: 2,203,207 bytes in 1,644 blocks ==156867== total heap usage: 95,542 allocs, 93,898 frees, 120,198,071 bytes allocated ==156867== ==156867== LEAK SUMMARY: ==156867== definitely lost: 0 bytes in 0 blocks ==156867== indirectly lost: 0 bytes in 0 blocks ==156867== possibly lost: 196,543 bytes in 100 blocks ==156867== still reachable: 2,006,632 bytes in 1,543 blocks ==156867== suppressed: 32 bytes in 1 blocks ==156867== Rerun with --leak-check=full to see details of leaked memory ==156867== ==156867== For lists of detected and suppressed errors, rerun with: -s ==156867== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9246 from 546) ================================================================================ 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.