!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KoShimLee_2011_AlH__MO_127847080751_001 Supported species : Al H random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 81.72794737570086 Forces: 1 -4.14383664e+00 -9.14143562e+00 -9.45256623e+00 2 -4.45266029e+00 6.28396475e+00 -9.56192442e+00 3 4.38365962e+00 -1.65623399e+01 -7.07411935e+00 4 -1.04069668e+01 6.74890895e+00 3.14907821e+00 5 -1.75363370e+00 -1.53625022e+01 -3.97830397e+00 6 1.03081230e+01 5.44449444e+00 -1.06311085e+01 7 5.74578340e+00 -2.49827758e+01 -1.74281724e+01 8 -9.58145048e+00 -8.82057397e+00 -2.35460536e+00 9 -9.50698538e+00 -7.47403528e+00 -1.52537788e+01 10 -8.15833084e+00 2.22153307e+01 -2.78277057e+01 11 -6.00347614e+00 -1.83447698e+01 2.37123000e+00 12 -1.21482155e+01 1.60139302e+01 2.28443950e+00 13 -2.23420816e+00 -7.32803979e+00 -3.22320625e+01 14 7.71531857e+00 1.04174292e+01 -7.25562342e+00 15 2.95497641e+01 -6.47554939e+00 5.09154680e+00 16 1.32094637e+01 2.12288593e+01 1.27994175e+01 17 -1.50968477e+01 -8.69393638e+00 -3.78681611e+00 18 4.42846739e+00 9.48669233e+00 8.22373635e+00 19 6.80882367e+00 -9.16841533e+00 9.07237134e+00 20 -6.64260640e+00 8.15849055e+00 8.46207669e+00 21 -1.24293367e+01 -1.49762948e+01 4.34625265e+00 22 2.33064756e+01 2.15841617e+01 1.72635937e+01 23 1.21812674e+01 -7.39593551e+00 7.20676582e+00 24 -7.97780230e+00 8.13168338e+00 8.49534471e+00 25 -1.14267257e+01 -6.52042401e+00 5.71012480e+00 26 -6.55273353e+00 1.84225821e+01 -3.84545167e+00 27 9.42523373e+00 -2.96087609e+01 1.11535079e+01 28 -2.49373134e+01 2.16865500e+01 8.44888688e+00 29 -5.01348759e+00 -8.00737047e+00 5.68585739e+00 30 9.28678074e+00 1.45595261e+01 3.86335835e+00 31 1.44980669e+01 -7.39796855e+00 1.05637651e+01 32 7.61938948e+00 1.58785240e+01 1.64908849e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 81.72794737570086 Forces: 1 -4.14383664e+00 -9.14143562e+00 -9.45256623e+00 2 -4.45266029e+00 6.28396475e+00 -9.56192442e+00 3 4.38365962e+00 -1.65623399e+01 -7.07411935e+00 4 -1.04069668e+01 6.74890895e+00 3.14907821e+00 5 -1.75363370e+00 -1.53625022e+01 -3.97830397e+00 6 1.03081230e+01 5.44449444e+00 -1.06311085e+01 7 5.74578340e+00 -2.49827758e+01 -1.74281724e+01 8 -9.58145048e+00 -8.82057397e+00 -2.35460536e+00 9 -9.50698538e+00 -7.47403528e+00 -1.52537788e+01 10 -8.15833084e+00 2.22153307e+01 -2.78277057e+01 11 -6.00347614e+00 -1.83447698e+01 2.37123000e+00 12 -1.21482155e+01 1.60139302e+01 2.28443950e+00 13 -2.23420816e+00 -7.32803979e+00 -3.22320625e+01 14 7.71531857e+00 1.04174292e+01 -7.25562342e+00 15 2.95497641e+01 -6.47554939e+00 5.09154680e+00 16 1.32094637e+01 2.12288593e+01 1.27994175e+01 17 -1.50968477e+01 -8.69393638e+00 -3.78681611e+00 18 4.42846739e+00 9.48669233e+00 8.22373635e+00 19 6.80882367e+00 -9.16841533e+00 9.07237134e+00 20 -6.64260640e+00 8.15849055e+00 8.46207669e+00 21 -1.24293367e+01 -1.49762948e+01 4.34625265e+00 22 2.33064756e+01 2.15841617e+01 1.72635937e+01 23 1.21812674e+01 -7.39593551e+00 7.20676582e+00 24 -7.97780230e+00 8.13168338e+00 8.49534471e+00 25 -1.14267257e+01 -6.52042401e+00 5.71012480e+00 26 -6.55273353e+00 1.84225821e+01 -3.84545167e+00 27 9.42523373e+00 -2.96087609e+01 1.11535079e+01 28 -2.49373134e+01 2.16865500e+01 8.44888688e+00 29 -5.01348759e+00 -8.00737047e+00 5.68585739e+00 30 9.28678074e+00 1.45595261e+01 3.86335835e+00 31 1.44980669e+01 -7.39796855e+00 1.05637651e+01 32 7.61938948e+00 1.58785240e+01 1.64908849e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = H (Configuration in file "config-F-H.xyz") ----------------------------------------------------------------------------------------------------- Energy = -5.339504413080637 Forces: 1 6.96544257e-02 1.19289949e-01 3.61493568e-01 2 -3.79918471e-01 5.02022999e-01 3.85594279e-01 3 3.14972046e-01 1.10252771e-01 4.32034506e-01 4 -1.45951361e-02 -4.99021723e-01 -2.86991621e-01 5 1.58895926e-01 4.97710831e-01 5.33263673e-01 6 -2.80779617e-01 -4.58630367e-02 9.47814720e-02 7 -1.34913207e-01 4.03132543e-01 1.00884707e-01 8 1.88884065e-01 -7.54981497e-01 -1.38178080e+00 9 3.78888797e-01 -9.69701373e-02 2.07733171e-02 10 -1.94986078e-01 -2.04886386e-01 2.43827375e-01 11 4.73366364e-01 6.91347717e-01 -3.87227281e-02 12 2.66087180e-01 -5.59838225e-02 -2.43942770e-01 13 2.52537009e-01 -5.74746944e-01 7.75476212e-01 14 -4.22406172e-01 -9.95390137e-01 1.02112732e+00 15 3.57895156e-01 1.52653070e+00 -1.00887415e+00 16 -4.02491621e-01 -4.46774836e-01 -8.62766348e-03 17 1.95515704e-01 8.00058133e-02 -1.09290520e-01 18 -4.04401735e-01 3.98847219e-01 -1.79291039e-01 19 4.23941804e-01 3.32229421e-01 -2.47859237e-01 20 6.42395843e-02 3.02563169e-01 -3.63523707e-01 21 -7.31971613e-01 -3.27976803e-01 -2.87913339e-01 22 -1.23791093e-02 -2.31590032e-01 -1.06616724e-01 23 -1.69853028e-01 2.41923991e-01 -8.87847621e-02 24 -1.29547680e-01 -4.34549449e-01 1.62662980e-02 25 1.18253033e+00 -3.50637647e-01 9.96929994e-01 26 7.78963745e-02 -3.97522360e-01 2.69461668e-01 27 -9.64341049e-01 5.56245983e-01 -5.61970002e-01 28 6.97748030e-02 -1.42178867e-01 -1.31928497e-01 29 5.17107708e-01 -4.30449446e-01 9.49041933e-01 30 2.54752827e-01 -2.34272350e-01 3.44864987e-01 31 -1.12988501e+00 5.39113252e-01 -1.38074153e+00 32 1.25529427e-01 -7.74208920e-02 -1.18962222e-01 MONOATOMIC STRUCTURE (pbc=True)-- Species = H (Configuration in file "config-T-H.xyz") ----------------------------------------------------------------------------------------------------- Energy = -5.339504413080637 Forces: 1 6.96544257e-02 1.19289949e-01 3.61493568e-01 2 -3.79918471e-01 5.02022999e-01 3.85594279e-01 3 3.14972046e-01 1.10252771e-01 4.32034506e-01 4 -1.45951361e-02 -4.99021723e-01 -2.86991621e-01 5 1.58895926e-01 4.97710831e-01 5.33263673e-01 6 -2.80779617e-01 -4.58630367e-02 9.47814720e-02 7 -1.34913207e-01 4.03132543e-01 1.00884707e-01 8 1.88884065e-01 -7.54981497e-01 -1.38178080e+00 9 3.78888797e-01 -9.69701373e-02 2.07733171e-02 10 -1.94986078e-01 -2.04886386e-01 2.43827375e-01 11 4.73366364e-01 6.91347717e-01 -3.87227281e-02 12 2.66087180e-01 -5.59838225e-02 -2.43942770e-01 13 2.52537009e-01 -5.74746944e-01 7.75476212e-01 14 -4.22406172e-01 -9.95390137e-01 1.02112732e+00 15 3.57895156e-01 1.52653070e+00 -1.00887415e+00 16 -4.02491621e-01 -4.46774836e-01 -8.62766348e-03 17 1.95515704e-01 8.00058133e-02 -1.09290520e-01 18 -4.04401735e-01 3.98847219e-01 -1.79291039e-01 19 4.23941804e-01 3.32229421e-01 -2.47859237e-01 20 6.42395843e-02 3.02563169e-01 -3.63523707e-01 21 -7.31971613e-01 -3.27976803e-01 -2.87913339e-01 22 -1.23791093e-02 -2.31590032e-01 -1.06616724e-01 23 -1.69853028e-01 2.41923991e-01 -8.87847621e-02 24 -1.29547680e-01 -4.34549449e-01 1.62662980e-02 25 1.18253033e+00 -3.50637647e-01 9.96929994e-01 26 7.78963745e-02 -3.97522360e-01 2.69461668e-01 27 -9.64341049e-01 5.56245983e-01 -5.61970002e-01 28 6.97748030e-02 -1.42178867e-01 -1.31928497e-01 29 5.17107708e-01 -4.30449446e-01 9.49041933e-01 30 2.54752827e-01 -2.34272350e-01 3.44864987e-01 31 -1.12988501e+00 5.39113252e-01 -1.38074153e+00 32 1.25529427e-01 -7.74208920e-02 -1.18962222e-01 MIXED STRUCTURE (pbc=False)-- Species = Al H (Configuration in file "config-F-AlH.xyz") ----------------------------------------------------------------------------------------------------- Energy = -23.994743420087136 Forces: 1 -8.37443911e-01 7.44067723e-01 -2.39345948e+00 2 -2.60578993e+00 -3.60072887e+00 -4.15551525e+00 3 2.67781104e+00 9.23267821e-01 4.70149833e-01 4 4.73918059e-01 9.14155768e-01 1.25974178e+00 5 -2.37009132e+00 -1.05355731e+01 -2.91450416e+00 6 9.91778012e+00 -3.10282275e+00 -1.06749267e+01 7 5.16584589e-02 -1.74300745e-02 -1.21400730e+00 8 -1.27737951e+01 -1.86731922e+01 -8.91245570e+00 9 -6.61215633e+00 5.38494211e+00 3.60304089e-01 10 -3.27347091e+00 1.92857770e+00 -3.32773439e+00 11 -3.39455816e-01 -3.33405092e+00 2.91195853e+00 12 -6.22727333e-01 2.06138696e-01 -9.28320536e-01 13 3.13465830e+00 1.29103728e+00 -1.32708488e-01 14 7.91481269e+00 3.69359733e+00 -6.05836634e+00 15 1.40612490e+01 1.48856001e+01 -9.53909365e+00 16 -8.33756090e+00 2.23342734e+00 4.24874970e+00 17 -5.48213816e-01 3.17933427e-01 -1.37946484e+00 18 -1.74810611e+01 -1.19426931e+01 -8.80223843e+00 19 -3.43815376e-01 -4.83256838e-01 2.26958469e+00 20 -1.28020618e-01 -2.90823982e-01 2.02051166e-01 21 3.43377612e-01 1.16323491e+00 -7.37179616e-01 22 1.83651871e+01 -1.27166354e+01 1.10700087e+01 23 -1.19235455e-01 1.03695368e+00 -4.02174545e-01 24 9.64727339e+00 -7.17185817e+00 2.39276269e+01 25 -7.20483599e+00 4.64874315e+00 9.07101029e-01 26 2.99254322e-01 1.82171629e-01 4.08638788e-01 27 -8.39052028e-01 1.69229088e-01 -4.15116683e-01 28 3.61447184e-01 1.84426697e+00 7.64398329e-01 29 -9.25349586e+00 1.97789006e+01 7.12005417e+00 30 1.62997680e+01 5.13266854e+00 -5.79733631e+00 31 2.90527857e-01 7.22294169e-01 -3.89788747e-01 32 -1.01485014e+01 4.66785734e+00 1.22540235e+01 MIXED STRUCTURE (pbc=True)-- Species = Al H (Configuration in file "config-T-AlH.xyz") ----------------------------------------------------------------------------------------------------- Energy = -9.32361838929941 Forces: 1 -2.07047104e+00 -1.55946332e+00 -3.17035072e+00 2 -2.86322478e+00 -4.04979317e+00 -2.71148527e+00 3 2.83103377e+00 1.01754239e+00 7.03125550e-01 4 6.38577086e-01 2.11066866e+00 8.27046705e-01 5 -1.26681452e+01 8.65090992e+00 -5.61139460e+00 6 8.59471728e+00 -5.34432597e+00 -1.06196207e+01 7 -9.44613938e-02 -1.01414706e+00 -1.08111489e+00 8 -1.31593635e+01 -1.85338537e+01 -8.48175690e+00 9 -4.17467806e+00 8.05366092e+00 -1.77186740e-01 10 -3.53484411e+00 2.42104082e+00 -3.63742981e+00 11 -3.38229926e-02 -3.85167278e+00 3.25483532e+00 12 -1.58323258e+00 3.18086846e-01 -7.92940127e-01 13 2.74582332e+00 1.63414371e+00 4.19036490e-01 14 2.20689172e+01 -8.65046273e+00 -2.80295424e-01 15 1.23698946e+01 1.44739605e+01 -8.54418409e+00 16 -9.52440815e+00 -1.61821377e+00 7.14365199e+00 17 -2.00704732e+00 -2.29523180e+00 -7.34993291e-01 18 -1.66581496e+01 -1.00498118e+01 -9.29631731e+00 19 -5.14492637e-01 -7.73180023e-01 3.37839361e+00 20 -4.29270499e-01 1.02845558e+00 4.14978814e-01 21 3.43823108e-01 -3.05088195e-01 -1.23734433e+00 22 1.76120515e+01 -1.35418702e+01 9.12902455e+00 23 -1.82528316e-02 -6.39664920e-01 6.05606706e-01 24 1.05560573e+01 -5.77685256e+00 2.08811729e+01 25 -3.08213201e+00 4.25713867e+00 2.71413527e+00 26 3.20057503e-01 -1.27426054e+00 3.34081512e-01 27 -1.27005219e+00 1.63745390e-01 -2.67303435e-01 28 3.04457417e+00 5.26011385e+00 1.62489834e+00 29 -1.00211342e+01 1.97906588e+01 6.38825169e+00 30 1.45258824e+01 6.48060409e+00 -8.77876773e+00 31 5.19503171e-01 6.10023628e-01 -9.92753887e-01 32 -1.24637294e+01 3.00713876e+00 8.59699979e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==96861== Memcheck, a memory error detector ==96861== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==96861== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==96861== Command: python runner2.py MEAM_LAMMPS_KoShimLee_2011_AlH__MO_127847080751_001 ==96861== ==97032== Warning: invalid file descriptor 255988 in syscall close() ==97032== Warning: invalid file descriptor 255989 in syscall close() ==97032== Warning: invalid file descriptor 255990 in syscall close() ==97032== Warning: invalid file descriptor 255991 in syscall close() ==97032== Use --log-fd= to select an alternative log fd. ==97032== Warning: invalid file descriptor 255992 in syscall close() ==97032== Warning: invalid file descriptor 255993 in syscall close() ==96861== Mismatched free() / delete / delete [] ==96861== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==96861== by 0x518F539C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x517C854D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x517C9C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x517B2DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x517B65CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x3380BF1E: 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) ==96861== by 0x3380CE18: 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) ==96861== by 0x33811762: 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) ==96861== by 0x337C1246: 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) ==96861== by 0x1A6A44C7: 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) ==96861== by 0x1A6B82E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==96861== Address 0x920e9cd0 is 0 bytes inside a block of size 1,024 alloc'd ==96861== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==96861== by 0x518F4B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x517C854D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x517C9C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x517B2DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x517B65CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x3380BF1E: 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) ==96861== by 0x3380CE18: 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) ==96861== by 0x33811762: 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) ==96861== by 0x337C1246: 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) ==96861== by 0x1A6A44C7: 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) ==96861== by 0x1A6B82E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==96861== ==96861== Mismatched free() / delete / delete [] ==96861== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==96861== by 0x518EFDCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x517C8578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x517C9C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x517B2DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x517B65CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x3380BF1E: 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) ==96861== by 0x3380CE18: 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) ==96861== by 0x33811762: 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) ==96861== by 0x337C1246: 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) ==96861== by 0x1A6A44C7: 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) ==96861== by 0x1A6B82E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==96861== Address 0x920eaf60 is 0 bytes inside a block of size 1,024 alloc'd ==96861== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==96861== by 0x518EFBAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x517C8578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x517C9C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x517B2DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x517B65CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-60673488-509c-473b-a643-60597ac54b3d-007-c65fd8cb-7f86-4209-921f-124f6f99a22b/VC_561022993723_003-and-MO_127847080751_001-1656609245/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96861== by 0x3380BF1E: 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) ==96861== by 0x3380CE18: 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) ==96861== by 0x33811762: 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) ==96861== by 0x337C1246: 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) ==96861== by 0x1A6A44C7: 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) ==96861== by 0x1A6B82E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==96861== ==96861== ==96861== HEAP SUMMARY: ==96861== in use at exit: 2,203,207 bytes in 1,644 blocks ==96861== total heap usage: 95,774 allocs, 94,130 frees, 120,222,021 bytes allocated ==96861== ==96861== LEAK SUMMARY: ==96861== definitely lost: 0 bytes in 0 blocks ==96861== indirectly lost: 0 bytes in 0 blocks ==96861== possibly lost: 198,622 bytes in 101 blocks ==96861== still reachable: 2,004,553 bytes in 1,542 blocks ==96861== suppressed: 32 bytes in 1 blocks ==96861== Rerun with --leak-check=full to see details of leaked memory ==96861== ==96861== For lists of detected and suppressed errors, rerun with: -s ==96861== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9310 from 555) ================================================================================ 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.