!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_001 Supported species : Ni Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -20.347921682056104 Forces: 1 -6.98115987e+00 -5.87657653e+00 -8.96369007e+00 2 -4.72605749e+00 9.09296978e+00 -4.53242905e+00 3 4.85667972e+00 -6.65769192e+00 4.74931264e+00 4 -6.40418976e+00 5.70478710e+00 3.70766078e+00 5 3.43458814e+00 -1.19599551e+01 -1.71870630e+00 6 6.17755896e+00 4.92668056e+00 -5.01264795e+00 7 3.96897510e+00 -2.36950078e+01 -2.26515970e+01 8 -1.12081922e+01 -1.00844692e+01 -4.30243920e+00 9 -3.16556257e+00 -1.23854213e+01 -1.43821191e+01 10 -2.67586187e+00 1.09710730e+01 -1.42246838e+01 11 -6.82549626e+00 -6.53783637e+00 1.10496689e+00 12 -8.91795186e+00 1.18161554e+01 1.21027157e+01 13 -8.82234676e+00 -1.14255908e+01 -3.20581357e+01 14 5.32720764e+00 7.64633656e+00 -3.56534871e+00 15 3.01454887e+01 -4.53078190e+00 8.65309377e+00 16 5.87610315e+00 2.38605476e+01 1.07403029e+01 17 -8.00690072e+00 -5.49951301e+00 -5.60815659e+00 18 2.29373670e+00 4.37537854e+00 -4.36049873e-01 19 2.84996715e+00 -1.09880073e+01 5.25737747e+00 20 -3.55922077e+00 5.70013048e+00 5.35776282e+00 21 -9.59387608e+00 -6.78393038e+00 7.01964635e+00 22 1.50875418e+01 1.94312365e+01 1.64625505e+01 23 2.26513381e+00 -9.51383887e-01 6.40829580e+00 24 4.61181071e+00 4.71710247e+00 4.43093967e+00 25 -1.31782765e+01 -8.11897554e+00 -1.24093629e+01 26 -4.97529481e+00 1.54807440e+01 -7.79539411e+00 27 1.50902839e+01 -2.60830294e+01 1.45569784e+01 28 -2.18730724e+01 2.29438722e+01 7.91993095e+00 29 -4.84816741e+00 -7.07544006e+00 8.33913111e+00 30 5.38492618e+00 1.06605498e+01 -4.47509478e-01 31 1.10050040e+01 -9.37830763e+00 1.02137345e+01 32 7.38662155e+00 1.07043541e+01 1.10838696e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -20.347921682056104 Forces: 1 -6.98115987e+00 -5.87657653e+00 -8.96369007e+00 2 -4.72605749e+00 9.09296978e+00 -4.53242905e+00 3 4.85667972e+00 -6.65769192e+00 4.74931264e+00 4 -6.40418976e+00 5.70478710e+00 3.70766078e+00 5 3.43458814e+00 -1.19599551e+01 -1.71870630e+00 6 6.17755896e+00 4.92668056e+00 -5.01264795e+00 7 3.96897510e+00 -2.36950078e+01 -2.26515970e+01 8 -1.12081922e+01 -1.00844692e+01 -4.30243920e+00 9 -3.16556257e+00 -1.23854213e+01 -1.43821191e+01 10 -2.67586187e+00 1.09710730e+01 -1.42246838e+01 11 -6.82549626e+00 -6.53783637e+00 1.10496689e+00 12 -8.91795186e+00 1.18161554e+01 1.21027157e+01 13 -8.82234676e+00 -1.14255908e+01 -3.20581357e+01 14 5.32720764e+00 7.64633656e+00 -3.56534871e+00 15 3.01454887e+01 -4.53078190e+00 8.65309377e+00 16 5.87610315e+00 2.38605476e+01 1.07403029e+01 17 -8.00690072e+00 -5.49951301e+00 -5.60815659e+00 18 2.29373670e+00 4.37537854e+00 -4.36049873e-01 19 2.84996715e+00 -1.09880073e+01 5.25737747e+00 20 -3.55922077e+00 5.70013048e+00 5.35776282e+00 21 -9.59387608e+00 -6.78393038e+00 7.01964635e+00 22 1.50875418e+01 1.94312365e+01 1.64625505e+01 23 2.26513381e+00 -9.51383887e-01 6.40829580e+00 24 4.61181071e+00 4.71710247e+00 4.43093967e+00 25 -1.31782765e+01 -8.11897554e+00 -1.24093629e+01 26 -4.97529481e+00 1.54807440e+01 -7.79539411e+00 27 1.50902839e+01 -2.60830294e+01 1.45569784e+01 28 -2.18730724e+01 2.29438722e+01 7.91993095e+00 29 -4.84816741e+00 -7.07544006e+00 8.33913111e+00 30 5.38492618e+00 1.06605498e+01 -4.47509478e-01 31 1.10050040e+01 -9.37830763e+00 1.02137345e+01 32 7.38662155e+00 1.07043541e+01 1.10838696e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 113.88425082019958 Forces: 1 -9.96881361e+00 -1.09646656e+01 -9.62282698e+00 2 1.53379473e+01 8.70026456e-01 -1.87318171e+01 3 1.15148032e+01 -2.03408392e+01 -6.22340561e+00 4 -2.37349452e+01 1.52283599e+01 5.33626799e-01 5 1.19522642e+00 -8.27559883e+00 -9.78093609e+00 6 1.11638758e+01 -4.64618608e+00 -6.21940254e+00 7 1.31560850e+01 -1.23536457e+01 -5.65038516e+00 8 -7.84863934e+00 1.23705134e+01 -6.75444205e+00 9 -1.95534062e+01 -4.71848488e+00 -1.63335739e+01 10 5.29875306e+00 1.66779870e+01 -2.52121727e+01 11 2.11800578e+01 -2.09375788e+01 1.46802532e+01 12 -2.73295368e+01 2.45283045e+01 5.58443361e+00 13 -1.16876108e+00 4.65033455e+00 -8.22334846e+00 14 6.58534299e+00 3.77190679e+00 -6.90381412e+00 15 1.25802313e+01 1.43966906e+01 -1.52246625e+01 16 6.70302207e+00 1.04432262e+01 2.75146940e+00 17 -2.48743879e+01 -2.56823872e+01 1.25800384e+01 18 2.01703640e+01 1.85967428e+00 -1.25620096e+01 19 2.72388717e-01 -1.53502180e+01 1.61010769e+01 20 -2.98127356e+01 -1.11150564e+01 1.91588883e+01 21 -6.70077299e+00 -2.67201107e+01 -6.91938098e+00 22 1.18647229e+01 -9.61218152e+00 1.71524420e+01 23 1.46640167e+01 -8.87764084e+00 9.13741369e+00 24 -6.38199417e+00 2.16154293e+01 2.13325550e+01 25 -2.17323933e+01 5.79561863e+00 -1.33861018e+01 26 2.72673720e+00 1.42187774e+01 6.21072618e+00 27 2.42660078e+01 8.49403651e+00 2.00600696e+01 28 -9.47917049e+00 1.17250849e+01 1.09727230e+01 29 -1.22746518e+01 -7.64819929e+00 -8.38710740e+00 30 1.16521265e+01 1.52367622e+01 -2.42345710e+00 31 1.01934339e+01 -2.42742624e+00 1.12987668e+01 32 3.35065779e-01 7.78748696e+00 1.10043610e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 113.88425082019958 Forces: 1 -9.96881361e+00 -1.09646656e+01 -9.62282698e+00 2 1.53379473e+01 8.70026456e-01 -1.87318171e+01 3 1.15148032e+01 -2.03408392e+01 -6.22340561e+00 4 -2.37349452e+01 1.52283599e+01 5.33626799e-01 5 1.19522642e+00 -8.27559883e+00 -9.78093609e+00 6 1.11638758e+01 -4.64618608e+00 -6.21940254e+00 7 1.31560850e+01 -1.23536457e+01 -5.65038516e+00 8 -7.84863934e+00 1.23705134e+01 -6.75444205e+00 9 -1.95534062e+01 -4.71848488e+00 -1.63335739e+01 10 5.29875306e+00 1.66779870e+01 -2.52121727e+01 11 2.11800578e+01 -2.09375788e+01 1.46802532e+01 12 -2.73295368e+01 2.45283045e+01 5.58443361e+00 13 -1.16876108e+00 4.65033455e+00 -8.22334846e+00 14 6.58534299e+00 3.77190679e+00 -6.90381412e+00 15 1.25802313e+01 1.43966906e+01 -1.52246625e+01 16 6.70302207e+00 1.04432262e+01 2.75146940e+00 17 -2.48743879e+01 -2.56823872e+01 1.25800384e+01 18 2.01703640e+01 1.85967428e+00 -1.25620096e+01 19 2.72388717e-01 -1.53502180e+01 1.61010769e+01 20 -2.98127356e+01 -1.11150564e+01 1.91588883e+01 21 -6.70077299e+00 -2.67201107e+01 -6.91938098e+00 22 1.18647229e+01 -9.61218152e+00 1.71524420e+01 23 1.46640167e+01 -8.87764084e+00 9.13741369e+00 24 -6.38199417e+00 2.16154293e+01 2.13325550e+01 25 -2.17323933e+01 5.79561863e+00 -1.33861018e+01 26 2.72673720e+00 1.42187774e+01 6.21072618e+00 27 2.42660078e+01 8.49403651e+00 2.00600696e+01 28 -9.47917049e+00 1.17250849e+01 1.09727230e+01 29 -1.22746518e+01 -7.64819929e+00 -8.38710740e+00 30 1.16521265e+01 1.52367622e+01 -2.42345710e+00 31 1.01934339e+01 -2.42742624e+00 1.12987668e+01 32 3.35065779e-01 7.78748696e+00 1.10043610e+01 MIXED STRUCTURE (pbc=False)-- Species = Ni Ti (Configuration in file "config-F-NiTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 24.027582617908504 Forces: 1 -2.08515345e+01 1.01960399e+01 -3.32840282e+00 2 1.55165450e+01 -2.10211104e+00 -1.22209202e+01 3 -5.33609502e+00 -9.45608864e+00 4.15485180e+00 4 -9.66842611e+00 -4.99614937e+00 -8.76953261e+00 5 5.59453438e+00 -1.37061472e+01 -1.27827063e+01 6 1.11548562e+01 -8.71738382e-02 -1.38838042e+01 7 1.03143810e+01 -1.83226626e+01 -6.86647644e+00 8 -8.51357027e+00 6.12629096e+00 3.82001134e+00 9 -2.06227467e+01 -1.81666192e+01 -5.99137765e+00 10 7.63809194e+00 5.92199694e+00 -1.62916638e+01 11 -2.30383541e+00 -6.83958155e-01 -1.60213759e+00 12 -1.61740370e+01 6.23890707e+00 8.08855027e+00 13 1.16651946e+01 1.47436117e+01 -6.98866149e+00 14 6.88948355e+00 5.66211651e+00 -9.35316316e+00 15 8.46632682e+00 -8.02752744e+00 -8.29449215e+00 16 -6.59359486e+00 1.67015849e+01 -1.95705573e+00 17 -8.06221038e+00 -9.25083805e+00 -4.80537162e+00 18 6.67858950e+00 -8.40568425e-01 7.18867478e+00 19 8.75803193e+00 -8.20162973e+00 4.30299040e+00 20 -1.32472403e+01 -5.03216920e-02 9.30765939e+00 21 -6.66403034e+00 -1.34209054e+01 1.99688700e+00 22 1.34168511e+01 1.38318574e+01 4.74774487e+00 23 1.01668208e+01 -1.69658968e+01 1.45256238e+01 24 -7.46605879e+00 8.36679558e+00 4.83398797e+00 25 -1.23085476e+01 7.62488059e+00 5.79019829e+00 26 9.36136964e+00 8.04404621e+00 -7.25925178e+00 27 5.61146241e+00 6.59309685e+00 7.29734574e+00 28 -1.15909263e+01 7.58278263e-01 1.36192051e+01 29 -4.85547898e+00 -5.24515069e+00 6.69500905e+00 30 1.75716999e+01 1.52799101e+01 4.72533349e+00 31 1.18718156e+01 -9.16273748e+00 1.38438597e+01 32 -6.41772194e+00 1.25970728e+01 5.45708454e+00 MIXED STRUCTURE (pbc=True)-- Species = Ni Ti (Configuration in file "config-T-NiTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 44.943766946598956 Forces: 1 -1.51223440e+00 2.30137439e+00 7.04359526e-01 2 -6.81545964e+00 -1.30087912e+01 8.86073921e+00 3 -6.65782112e+00 -9.91006502e-01 5.76616998e+00 4 2.18172856e+00 -2.39189935e+00 -1.18324181e+01 5 2.31849447e+00 -5.12004305e+00 -9.62395312e+00 6 5.99451784e-01 -1.13184611e+00 -1.06936727e+01 7 4.45398097e+00 -3.23377259e+00 3.37552581e+00 8 -8.29602730e+00 6.43886101e+00 4.17258807e+00 9 -2.63873356e+00 1.06475551e+01 2.22533455e+00 10 1.27532295e+01 -4.65765521e+00 -9.74669527e+00 11 -3.18855780e+00 -3.58832571e-01 -1.84044170e+00 12 -8.47357615e+00 -4.79675029e-01 1.11013773e+01 13 1.65331284e+01 1.50109510e+01 1.66534634e+00 14 -7.21518490e-01 -1.04652146e+01 -1.55534856e+01 15 4.79209144e+00 -4.10227821e+00 -9.13077499e+00 16 -5.92456092e+00 -1.69185734e+00 -2.88646310e-01 17 2.11247850e+00 -1.13137980e+01 -1.93232554e+00 18 7.60984725e+00 -5.87684107e-01 5.56792341e+00 19 1.22633710e+01 -1.39950349e+00 -6.74093073e+00 20 -1.02022679e+01 2.77704395e-01 -7.02142154e+00 21 -6.23103590e+00 -6.18425623e+00 3.05784566e+00 22 -1.18412784e+01 1.07828947e+01 5.84040057e+00 23 1.01744295e+01 -1.08243600e+01 8.16931867e+00 24 -6.06923770e+00 7.91126331e+00 5.70263324e-01 25 3.59380423e+00 6.80695374e+00 6.54434036e+00 26 1.25548354e+01 2.12230129e+00 -9.49200694e+00 27 4.73190240e-01 1.46137507e+01 -1.39934888e+01 28 -1.39371354e+01 -4.30051162e+00 8.23838741e+00 29 -3.88785027e+00 -4.13770126e+00 6.86146651e+00 30 6.51225203e+00 1.21830118e+01 7.19877856e+00 31 6.39981624e+00 -6.34903768e+00 1.20820717e+01 32 -8.92883440e+00 3.63310263e+00 5.88802429e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==139407== Memcheck, a memory error detector ==139407== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==139407== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==139407== Command: python runner2.py MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_001 ==139407== ==141817== Warning: invalid file descriptor 255988 in syscall close() ==141817== Warning: invalid file descriptor 255989 in syscall close() ==141817== Warning: invalid file descriptor 255990 in syscall close() ==141817== Warning: invalid file descriptor 255991 in syscall close() ==141817== Use --log-fd= to select an alternative log fd. ==141817== Warning: invalid file descriptor 255992 in syscall close() ==141817== Warning: invalid file descriptor 255993 in syscall close() ==139407== Mismatched free() / delete / delete [] ==139407== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==139407== by 0x119C7539C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x119B4854D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x119B49C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x119B32DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x119B365CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x29C0FF1E: 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) ==139407== by 0x29C10E18: 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) ==139407== by 0x29C15762: 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) ==139407== by 0x29BC5246: 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) ==139407== by 0x2088F4C7: 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) ==139407== by 0x208A32E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==139407== Address 0x46cdd4d0 is 0 bytes inside a block of size 1,024 alloc'd ==139407== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==139407== by 0x119C74B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x119B4854D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x119B49C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x119B32DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x119B365CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x29C0FF1E: 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) ==139407== by 0x29C10E18: 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) ==139407== by 0x29C15762: 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) ==139407== by 0x29BC5246: 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) ==139407== by 0x2088F4C7: 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) ==139407== by 0x208A32E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==139407== ==139407== Mismatched free() / delete / delete [] ==139407== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==139407== by 0x119C6FDCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x119B48578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x119B49C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x119B32DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x119B365CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x29C0FF1E: 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) ==139407== by 0x29C10E18: 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) ==139407== by 0x29C15762: 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) ==139407== by 0x29BC5246: 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) ==139407== by 0x2088F4C7: 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) ==139407== by 0x208A32E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==139407== Address 0x46cde760 is 0 bytes inside a block of size 1,024 alloc'd ==139407== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==139407== by 0x119C6FBAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x119B48578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x119B49C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x119B32DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x119B365CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-018f139d-64e5-4310-8d33-4dd1aebe9bad-007-69a465de-7672-4db9-8595-a50a3cd0de4e/VC_561022993723_003-and-MO_663355627503_001-1656608668/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==139407== by 0x29C0FF1E: 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) ==139407== by 0x29C10E18: 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) ==139407== by 0x29C15762: 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) ==139407== by 0x29BC5246: 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) ==139407== by 0x2088F4C7: 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) ==139407== by 0x208A32E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==139407== ==139407== ==139407== HEAP SUMMARY: ==139407== in use at exit: 2,203,207 bytes in 1,644 blocks ==139407== total heap usage: 96,726 allocs, 95,082 frees, 120,382,631 bytes allocated ==139407== ==139407== LEAK SUMMARY: ==139407== definitely lost: 0 bytes in 0 blocks ==139407== indirectly lost: 0 bytes in 0 blocks ==139407== possibly lost: 198,622 bytes in 101 blocks ==139407== still reachable: 2,004,553 bytes in 1,542 blocks ==139407== suppressed: 32 bytes in 1 blocks ==139407== Rerun with --leak-check=full to see details of leaked memory ==139407== ==139407== For lists of detected and suppressed errors, rerun with: -s ==139407== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9280 from 537) ================================================================================ 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.