Enter a model name: === Verification check vc-memory-leak start (2022-11-30 10:16:41) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! VERIFICATION CHECK: vc-memory-leak !!!!! !!!!! !!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Description: Check that the model has no memory leaks. This is tested using the Valgrind memory debugging tool (http://valgrind.org) by performing a series of energy and force calculations on a randomly distorted face-centered cubic (FCC) cube base structure for both non-periodic and periodic boundary conditions. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. Configurations used for testing are provided as auxiliary files. Author: Ellad Tadmor and Daniel S. Karls ----------------------------------------------------------------------------------------------------- Results for KIM Model : MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_001 Supported species : Fe Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -2.8032581516935737 Forces: 1 -5.34259499e+00 -5.58284513e+00 -8.66926886e+00 2 -5.51122063e+00 9.29786643e+00 -5.22871928e+00 3 1.83245194e+00 -6.64801509e+00 5.16254607e+00 4 -4.75131848e+00 5.38944126e+00 3.12180878e+00 5 -1.32971744e-01 -1.55006147e+01 -2.72765542e+00 6 9.96739666e+00 7.58797710e+00 -7.92221359e+00 7 5.60009514e+00 -2.42573588e+01 -1.98465705e+01 8 -1.13113445e+01 -1.13621104e+01 -4.00313361e+00 9 -2.40179090e+00 -1.13411100e+01 -1.24021339e+01 10 -3.70572582e+00 1.03799077e+01 -1.38091594e+01 11 -7.64298544e+00 -6.42125057e+00 -9.68969107e+00 12 -8.27501263e+00 1.05426581e+01 1.05339374e+01 13 -9.40714834e+00 -1.09234866e+01 -3.25020892e+01 14 5.84183570e+00 7.57983287e+00 -4.92449223e+00 15 3.05574671e+01 -9.76157887e+00 3.88471590e+00 16 2.99084357e+00 2.49404560e+01 7.90467228e+00 17 -9.38993390e+00 -6.53124368e+00 -4.79684267e+00 18 4.00731895e+00 2.32391864e+00 2.11049268e+00 19 4.32364737e+00 -7.62752697e+00 5.94906591e+00 20 -3.59374785e+00 5.22178527e+00 5.39545828e+00 21 -9.80152772e+00 -7.98783461e+00 6.61330026e+00 22 1.65936186e+01 1.81404319e+01 1.97107322e+01 23 2.12633101e+00 -5.69731153e-01 3.44197684e+00 24 1.34808883e+00 1.70226402e+00 2.93970358e+00 25 -1.71161052e+01 -5.27466170e+00 -4.92643160e+00 26 -4.93106654e+00 1.89232535e+01 -5.38108781e+00 27 1.35669031e+01 -2.62226477e+01 1.37889113e+01 28 -2.21820712e+01 2.15210756e+01 7.25001140e+00 29 -1.57462122e+00 -6.89335975e+00 1.16829061e+01 30 8.14783830e+00 1.33924134e+01 8.02729020e+00 31 1.24416448e+01 -4.84186976e+00 7.52352221e+00 32 7.72570593e+00 1.08039637e+01 1.17884378e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -2.8032581516935737 Forces: 1 -5.34259499e+00 -5.58284513e+00 -8.66926886e+00 2 -5.51122063e+00 9.29786643e+00 -5.22871928e+00 3 1.83245194e+00 -6.64801509e+00 5.16254607e+00 4 -4.75131848e+00 5.38944126e+00 3.12180878e+00 5 -1.32971744e-01 -1.55006147e+01 -2.72765542e+00 6 9.96739666e+00 7.58797710e+00 -7.92221359e+00 7 5.60009514e+00 -2.42573588e+01 -1.98465705e+01 8 -1.13113445e+01 -1.13621104e+01 -4.00313361e+00 9 -2.40179090e+00 -1.13411100e+01 -1.24021339e+01 10 -3.70572582e+00 1.03799077e+01 -1.38091594e+01 11 -7.64298544e+00 -6.42125057e+00 -9.68969107e+00 12 -8.27501263e+00 1.05426581e+01 1.05339374e+01 13 -9.40714834e+00 -1.09234866e+01 -3.25020892e+01 14 5.84183570e+00 7.57983287e+00 -4.92449223e+00 15 3.05574671e+01 -9.76157887e+00 3.88471590e+00 16 2.99084357e+00 2.49404560e+01 7.90467228e+00 17 -9.38993390e+00 -6.53124368e+00 -4.79684267e+00 18 4.00731895e+00 2.32391864e+00 2.11049268e+00 19 4.32364737e+00 -7.62752697e+00 5.94906591e+00 20 -3.59374785e+00 5.22178527e+00 5.39545828e+00 21 -9.80152772e+00 -7.98783461e+00 6.61330026e+00 22 1.65936186e+01 1.81404319e+01 1.97107322e+01 23 2.12633101e+00 -5.69731153e-01 3.44197684e+00 24 1.34808883e+00 1.70226402e+00 2.93970358e+00 25 -1.71161052e+01 -5.27466170e+00 -4.92643160e+00 26 -4.93106654e+00 1.89232535e+01 -5.38108781e+00 27 1.35669031e+01 -2.62226477e+01 1.37889113e+01 28 -2.21820712e+01 2.15210756e+01 7.25001140e+00 29 -1.57462122e+00 -6.89335975e+00 1.16829061e+01 30 8.14783830e+00 1.33924134e+01 8.02729020e+00 31 1.24416448e+01 -4.84186976e+00 7.52352221e+00 32 7.72570593e+00 1.08039637e+01 1.17884378e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -13.081845067276472 Forces: 1 -7.49023740e+00 -5.36748440e+00 -8.10653293e+00 2 -5.11912347e+00 -6.48927417e+00 -3.11611892e+01 3 4.45937831e+00 -7.35628988e+00 6.20147539e+00 4 -2.73374739e+01 -1.66763784e+01 1.39487977e+01 5 -3.51163197e+00 -1.47248405e+01 -1.21335573e+01 6 6.97558941e+00 7.44009477e+00 -2.98954035e+00 7 6.77924455e+00 -5.38128738e+00 5.79467635e+00 8 9.64104782e+00 8.27518257e+00 1.97228049e+01 9 -1.40861707e+01 -3.06984822e+00 -1.05519349e+01 10 -1.70710236e+01 3.35867160e+01 -5.24062179e+00 11 2.04182883e+01 2.13971039e+01 1.61082898e+01 12 -1.39498520e+01 3.20865807e+01 -3.08454732e+01 13 2.28736583e+01 -2.69141305e+01 -9.14798980e+00 14 7.29957498e+00 2.86760138e+00 -2.92372004e+00 15 6.09588075e+00 7.49971578e+00 -1.36563146e+01 16 1.49147036e+00 4.77894679e+00 8.09785938e+00 17 -1.48949210e+01 -5.34698124e+00 -1.78600683e+01 18 8.72856985e+00 -4.41172852e+00 -1.33613238e+01 19 1.17015429e+01 -1.13523134e+01 1.49958113e+01 20 -1.56507992e+01 4.81695368e+00 1.63341351e+01 21 9.97040188e-01 -9.88188109e+00 -8.95751084e+00 22 1.04446358e+01 -1.04398003e+01 -4.01226870e+00 23 6.81370485e-01 -5.21073261e-01 3.75338587e-01 24 -1.10475511e+01 1.68860403e+00 1.49404917e+01 25 -7.09589309e+00 -3.80545912e+01 1.93817062e+01 26 2.12675894e+01 1.57796229e+01 -2.60468746e+00 27 6.52379257e+00 7.01204293e+00 8.97064072e+00 28 -1.62267283e+01 6.18800246e+00 1.82851388e+01 29 -1.68266921e+00 2.45959877e+00 3.05970126e+00 30 1.10434703e+01 2.76364568e-01 -9.45956117e+00 31 7.86458071e+00 9.75956286e+00 6.72304622e+00 32 -1.01226500e+01 7.52084955e-02 1.00723810e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -13.081845067276472 Forces: 1 -7.49023740e+00 -5.36748440e+00 -8.10653293e+00 2 -5.11912347e+00 -6.48927417e+00 -3.11611892e+01 3 4.45937831e+00 -7.35628988e+00 6.20147539e+00 4 -2.73374739e+01 -1.66763784e+01 1.39487977e+01 5 -3.51163197e+00 -1.47248405e+01 -1.21335573e+01 6 6.97558941e+00 7.44009477e+00 -2.98954035e+00 7 6.77924455e+00 -5.38128738e+00 5.79467635e+00 8 9.64104782e+00 8.27518257e+00 1.97228049e+01 9 -1.40861707e+01 -3.06984822e+00 -1.05519349e+01 10 -1.70710236e+01 3.35867160e+01 -5.24062179e+00 11 2.04182883e+01 2.13971039e+01 1.61082898e+01 12 -1.39498520e+01 3.20865807e+01 -3.08454732e+01 13 2.28736583e+01 -2.69141305e+01 -9.14798980e+00 14 7.29957498e+00 2.86760138e+00 -2.92372004e+00 15 6.09588075e+00 7.49971578e+00 -1.36563146e+01 16 1.49147036e+00 4.77894679e+00 8.09785938e+00 17 -1.48949210e+01 -5.34698124e+00 -1.78600683e+01 18 8.72856985e+00 -4.41172852e+00 -1.33613238e+01 19 1.17015429e+01 -1.13523134e+01 1.49958113e+01 20 -1.56507992e+01 4.81695368e+00 1.63341351e+01 21 9.97040188e-01 -9.88188109e+00 -8.95751084e+00 22 1.04446358e+01 -1.04398003e+01 -4.01226870e+00 23 6.81370485e-01 -5.21073261e-01 3.75338587e-01 24 -1.10475511e+01 1.68860403e+00 1.49404917e+01 25 -7.09589309e+00 -3.80545912e+01 1.93817062e+01 26 2.12675894e+01 1.57796229e+01 -2.60468746e+00 27 6.52379257e+00 7.01204293e+00 8.97064072e+00 28 -1.62267283e+01 6.18800246e+00 1.82851388e+01 29 -1.68266921e+00 2.45959877e+00 3.05970126e+00 30 1.10434703e+01 2.76364568e-01 -9.45956117e+00 31 7.86458071e+00 9.75956286e+00 6.72304622e+00 32 -1.01226500e+01 7.52084955e-02 1.00723810e+01 MIXED STRUCTURE (pbc=False)-- Species = Fe Ni (Configuration in file "config-F-FeNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 13.725024458828793 Forces: 1 -6.71830837e+00 -9.90896464e+00 -9.88494799e+00 2 -3.09753017e+00 9.79555431e+00 -2.21233714e+01 3 -3.98642767e-01 -2.74614838e+01 -1.08386760e+01 4 -2.64701664e+01 2.31383644e+01 -1.18433307e+01 5 8.25568478e+00 -1.01969750e+01 -9.04052833e+00 6 1.25910462e+01 -6.45479651e+00 -5.95722187e+00 7 4.02988862e+00 -4.54485092e+00 -9.69914546e-01 8 2.79643622e+01 -3.78646769e-01 -8.57560246e+00 9 -7.29789447e+00 -2.75240010e+00 -7.62572817e+00 10 7.96608422e+00 4.36832882e+00 -1.04117320e+01 11 -8.33339596e+00 8.11337866e+00 -1.19585359e+01 12 -1.02622809e+01 5.53633987e+00 9.68035196e+00 13 -7.36887014e+00 1.05790196e+01 -9.40497135e+00 14 1.52250455e+01 4.20550134e+00 -1.35725813e+01 15 9.85272508e+00 -8.88169997e+00 -7.82104790e+00 16 -1.17051947e+01 9.50420939e+00 7.70855336e+00 17 -2.58768632e+01 -2.27623992e+01 1.46040911e+01 18 -5.82616351e+00 1.49812546e+01 2.98007599e+01 19 8.32833432e+00 -8.59837166e+00 1.41600895e+01 20 -1.39322220e+01 -1.32057133e+01 1.18151582e+01 21 1.70364909e+01 -2.17337220e+01 8.98332887e+00 22 2.44580296e+01 1.66485448e+01 -3.26075232e+01 23 1.41312779e+01 -2.31355461e+01 1.42837653e+01 24 -3.18050531e+01 8.92411783e+00 2.75939694e+01 25 -1.22786519e+01 4.70576368e+00 -1.00441817e+01 26 -8.12205496e+00 1.70811985e+01 9.47259058e-01 27 1.39750134e+01 2.76281046e+00 7.18301262e+00 28 -6.13695837e+00 7.18281982e+00 6.36603744e+00 29 9.50030208e+00 -5.41914480e+00 1.17290405e+01 30 4.27737217e+00 1.45875966e+01 4.49186713e+00 31 1.12609497e+00 -2.19951769e+00 6.12148780e+00 32 6.91249893e+00 5.51942977e+00 7.21112263e+00 MIXED STRUCTURE (pbc=True)-- Species = Fe Ni (Configuration in file "config-T-FeNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 21.497220368486825 Forces: 1 -1.38449668e+01 -1.68697752e+00 -7.05809844e+00 2 -7.14040641e-01 5.96221041e+00 -1.31828794e+01 3 5.61736584e-01 -1.80941853e+01 -6.94287339e+00 4 -2.25203131e+01 2.13691272e+01 -1.14191001e+01 5 9.98523220e+00 -2.50762846e+00 -8.47570979e+00 6 1.07276210e+01 -5.71329121e+00 -4.34441114e+00 7 7.10222868e-01 1.68098956e+00 2.42447468e-01 8 2.82536815e+01 -1.81958511e-02 -8.50357291e+00 9 -5.51619681e+00 -2.54700587e+00 -4.53736276e+00 10 8.86400458e+00 -9.32439079e+00 -2.43988855e+00 11 -7.44521981e+00 7.23221176e+00 -1.13853930e+01 12 -4.25320657e+00 2.30718214e+00 7.18583640e+00 13 -2.63046637e+00 8.57324117e+00 -3.57458231e+00 14 1.55842912e+01 9.83767202e-01 -1.71730530e+01 15 2.14663715e+00 -1.19212941e+01 -6.06109450e+00 16 -1.07042403e+01 -2.63908223e-01 8.48276598e+00 17 -2.26959079e+01 -2.00786378e+01 1.54287763e+01 18 -6.34622459e+00 1.55472577e+01 2.99371167e+01 19 5.96082402e+00 3.15555193e+00 7.45570161e+00 20 -1.37186272e+01 -1.29194847e+01 4.08905664e+00 21 1.74488801e+01 -1.68878162e+01 1.15175998e+01 22 2.27295478e+01 1.74891716e+01 -3.33542100e+01 23 1.19143885e+01 -2.42691824e+01 1.57442193e+01 24 -3.26079766e+01 9.56083476e+00 2.53192597e+01 25 -3.54051848e+00 2.34858120e+00 -1.17529955e+01 26 -7.95003972e+00 1.25869755e+01 1.91171816e-01 27 1.22380510e+01 5.02679670e+00 -4.04502778e+00 28 -7.38225235e+00 6.78757559e+00 2.02002648e+00 29 9.02698623e+00 -6.07486466e+00 1.13541384e+01 30 2.93398840e-01 1.30499830e+01 7.32213244e+00 31 -8.58456999e+00 -2.11316478e+00 6.93811281e+00 32 1.40092636e+01 7.58570245e-01 1.02189067e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1274367== Memcheck, a memory error detector ==1274367== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1274367== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1274367== Command: python runner2.py MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_001 ==1274367== ==1275652== Warning: invalid file descriptor 1024 in syscall close() ==1275652== Warning: invalid file descriptor 1025 in syscall close() ==1275652== Warning: invalid file descriptor 1026 in syscall close() ==1275652== Warning: invalid file descriptor 1027 in syscall close() ==1275652== Use --log-fd= to select an alternative log fd. ==1275652== Warning: invalid file descriptor 1028 in syscall close() ==1275652== Warning: invalid file descriptor 1029 in syscall close() ==1274367== Mismatched free() / delete / delete [] ==1274367== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274367== by 0x12C78438C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== 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) ==1274367== 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) ==1274367== 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) ==1274367== 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) ==1274367== 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) ==1274367== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274367== Address 0xa8f7c2d0 is 0 bytes inside a block of size 1,024 alloc'd ==1274367== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274367== by 0x12C783B11: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== 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) ==1274367== 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) ==1274367== 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) ==1274367== 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) ==1274367== 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) ==1274367== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274367== ==1274367== Mismatched free() / delete / delete [] ==1274367== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274367== by 0x12C77EDBD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== 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) ==1274367== 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) ==1274367== 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) ==1274367== 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) ==1274367== 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) ==1274367== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274367== Address 0xa8f7d560 is 0 bytes inside a block of size 1,024 alloc'd ==1274367== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274367== by 0x12C77EB9B: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_321233176498_001-1669765237/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274367== 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) ==1274367== 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) ==1274367== 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) ==1274367== 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) ==1274367== 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) ==1274367== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274367== ==1274367== ==1274367== HEAP SUMMARY: ==1274367== in use at exit: 2,257,671 bytes in 1,702 blocks ==1274367== total heap usage: 93,062 allocs, 91,360 frees, 115,222,451 bytes allocated ==1274367== ==1274367== LEAK SUMMARY: ==1274367== definitely lost: 0 bytes in 0 blocks ==1274367== indirectly lost: 0 bytes in 0 blocks ==1274367== possibly lost: 180,827 bytes in 103 blocks ==1274367== still reachable: 2,076,812 bytes in 1,598 blocks ==1274367== of which reachable via heuristic: ==1274367== stdstring : 38 bytes in 1 blocks ==1274367== suppressed: 32 bytes in 1 blocks ==1274367== Rerun with --leak-check=full to see details of leaked memory ==1274367== ==1274367== For lists of detected and suppressed errors, rerun with: -s ==1274367== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 7948 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. === Verification check vc-memory-leak end (2022-11-30 10:17:33) ===