!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_SaLee_2008_FeTi__MO_260546967793_001 Supported species : Fe Ti 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 = -2.803257615612878 Forces: 1 -5.34259547e+00 -5.58284562e+00 -8.66926965e+00 2 -5.51121995e+00 9.29786587e+00 -5.22871909e+00 3 1.83245229e+00 -6.64801536e+00 5.16254617e+00 4 -4.75131831e+00 5.38944178e+00 3.12180922e+00 5 -1.32972637e-01 -1.55006145e+01 -2.72765542e+00 6 9.96739709e+00 7.58797732e+00 -7.92221331e+00 7 5.60009515e+00 -2.42573581e+01 -1.98465712e+01 8 -1.13113440e+01 -1.13621111e+01 -4.00313385e+00 9 -2.40179083e+00 -1.13411094e+01 -1.24021336e+01 10 -3.70572632e+00 1.03799074e+01 -1.38091595e+01 11 -7.64298506e+00 -6.42125114e+00 -9.68969091e+00 12 -8.27501212e+00 1.05426578e+01 1.05339368e+01 13 -9.40714768e+00 -1.09234865e+01 -3.25020887e+01 14 5.84183549e+00 7.57983295e+00 -4.92449243e+00 15 3.05574667e+01 -9.76157924e+00 3.88471518e+00 16 2.99084353e+00 2.49404559e+01 7.90467286e+00 17 -9.38993397e+00 -6.53124379e+00 -4.79684261e+00 18 4.00732017e+00 2.32393075e+00 2.11050632e+00 19 4.32364699e+00 -7.62752669e+00 5.94906618e+00 20 -3.59374289e+00 5.22178446e+00 5.39544911e+00 21 -9.80152805e+00 -7.98783474e+00 6.61330038e+00 22 1.65936183e+01 1.81404317e+01 1.97107321e+01 23 2.12633112e+00 -5.69730927e-01 3.44197680e+00 24 1.34808791e+00 1.70226462e+00 2.93970273e+00 25 -1.71161041e+01 -5.27466233e+00 -4.92643047e+00 26 -4.93106649e+00 1.89232535e+01 -5.38108790e+00 27 1.35669039e+01 -2.62226524e+01 1.37889085e+01 28 -2.21820716e+01 2.15210761e+01 7.25001146e+00 29 -1.57462808e+00 -6.89336611e+00 1.16829047e+01 30 8.14783815e+00 1.33924132e+01 8.02729053e+00 31 1.24416449e+01 -4.84186952e+00 7.52352167e+00 32 7.72570581e+00 1.08039639e+01 1.17884378e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -2.803257615612878 Forces: 1 -5.34259547e+00 -5.58284562e+00 -8.66926965e+00 2 -5.51121995e+00 9.29786587e+00 -5.22871909e+00 3 1.83245229e+00 -6.64801536e+00 5.16254617e+00 4 -4.75131831e+00 5.38944178e+00 3.12180922e+00 5 -1.32972637e-01 -1.55006145e+01 -2.72765542e+00 6 9.96739709e+00 7.58797732e+00 -7.92221331e+00 7 5.60009515e+00 -2.42573581e+01 -1.98465712e+01 8 -1.13113440e+01 -1.13621111e+01 -4.00313385e+00 9 -2.40179083e+00 -1.13411094e+01 -1.24021336e+01 10 -3.70572632e+00 1.03799074e+01 -1.38091595e+01 11 -7.64298506e+00 -6.42125114e+00 -9.68969091e+00 12 -8.27501212e+00 1.05426578e+01 1.05339368e+01 13 -9.40714768e+00 -1.09234865e+01 -3.25020887e+01 14 5.84183549e+00 7.57983295e+00 -4.92449243e+00 15 3.05574667e+01 -9.76157924e+00 3.88471518e+00 16 2.99084353e+00 2.49404559e+01 7.90467286e+00 17 -9.38993397e+00 -6.53124379e+00 -4.79684261e+00 18 4.00732017e+00 2.32393075e+00 2.11050632e+00 19 4.32364699e+00 -7.62752669e+00 5.94906618e+00 20 -3.59374289e+00 5.22178446e+00 5.39544911e+00 21 -9.80152805e+00 -7.98783474e+00 6.61330038e+00 22 1.65936183e+01 1.81404317e+01 1.97107321e+01 23 2.12633112e+00 -5.69730927e-01 3.44197680e+00 24 1.34808791e+00 1.70226462e+00 2.93970273e+00 25 -1.71161041e+01 -5.27466233e+00 -4.92643047e+00 26 -4.93106649e+00 1.89232535e+01 -5.38108790e+00 27 1.35669039e+01 -2.62226524e+01 1.37889085e+01 28 -2.21820716e+01 2.15210761e+01 7.25001146e+00 29 -1.57462808e+00 -6.89336611e+00 1.16829047e+01 30 8.14783815e+00 1.33924132e+01 8.02729053e+00 31 1.24416449e+01 -4.84186952e+00 7.52352167e+00 32 7.72570581e+00 1.08039639e+01 1.17884378e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 46.95063886149796 Forces: 1 -7.98525984e+00 -7.32550586e+00 -6.88564138e+00 2 -7.05685546e+00 -4.73360283e+00 -2.25268473e+01 3 -1.79246889e-01 -1.07704921e+01 -1.51761451e+00 4 -1.65458119e+01 -1.46319571e+00 5.18661907e+00 5 2.24126092e+00 -1.43293690e+01 -1.24956945e+01 6 8.25474638e+00 1.84829269e+00 -7.77845128e+00 7 7.97912298e+00 -6.04513162e+00 -1.35587803e-01 8 1.12801944e+01 -8.08916290e+00 8.26453930e+00 9 -9.35929104e+00 3.52037009e+00 -8.55622203e+00 10 -1.25582616e+01 2.15106158e+01 -5.74103084e+00 11 -5.81220344e+00 9.49682120e+00 1.53536152e+00 12 -1.30322189e+01 1.77271446e+01 -2.08364369e+01 13 1.23372820e+01 -9.74257478e+00 -1.87761310e+01 14 1.04336738e+01 2.97520696e+00 -1.16447759e+01 15 1.24563156e+01 3.04526980e-01 3.79086644e+00 16 -1.80467004e+00 1.30632790e+01 8.43967870e+00 17 -1.51629688e+01 -6.66672500e+00 -8.46978060e+00 18 8.92409270e-03 -7.51651434e+00 -2.07251927e-01 19 9.97857274e+00 -1.15107559e+01 1.17305842e+01 20 -1.36439611e+01 2.96794247e+00 1.11811338e+01 21 3.68779887e+00 -6.91203511e+00 6.17436729e+00 22 7.40797542e+00 -2.03284311e+00 2.69792814e-01 23 1.68368084e+00 -1.78595140e+00 2.30672179e+00 24 9.81437270e+00 -5.61783969e+00 8.98676255e+00 25 -1.60280173e+01 -1.95791707e+01 8.36611540e+00 26 1.52248706e+01 1.71560588e+01 1.84183155e+00 27 -7.74589697e-01 9.79659924e+00 1.27008070e+01 28 -1.18907434e+01 7.10616684e+00 1.38184169e+01 29 1.13984138e+01 9.21856386e+00 1.19794534e+01 30 1.05482986e+01 6.83868417e+00 -8.85000900e+00 31 5.97434060e+00 -5.90910030e+00 7.92436565e+00 32 -8.87574497e+00 6.49969755e+00 9.92405735e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 46.95063886149796 Forces: 1 -7.98525984e+00 -7.32550586e+00 -6.88564138e+00 2 -7.05685546e+00 -4.73360283e+00 -2.25268473e+01 3 -1.79246889e-01 -1.07704921e+01 -1.51761451e+00 4 -1.65458119e+01 -1.46319571e+00 5.18661907e+00 5 2.24126092e+00 -1.43293690e+01 -1.24956945e+01 6 8.25474638e+00 1.84829269e+00 -7.77845128e+00 7 7.97912298e+00 -6.04513162e+00 -1.35587803e-01 8 1.12801944e+01 -8.08916290e+00 8.26453930e+00 9 -9.35929104e+00 3.52037009e+00 -8.55622203e+00 10 -1.25582616e+01 2.15106158e+01 -5.74103084e+00 11 -5.81220344e+00 9.49682120e+00 1.53536152e+00 12 -1.30322189e+01 1.77271446e+01 -2.08364369e+01 13 1.23372820e+01 -9.74257478e+00 -1.87761310e+01 14 1.04336738e+01 2.97520696e+00 -1.16447759e+01 15 1.24563156e+01 3.04526980e-01 3.79086644e+00 16 -1.80467004e+00 1.30632790e+01 8.43967870e+00 17 -1.51629688e+01 -6.66672500e+00 -8.46978060e+00 18 8.92409270e-03 -7.51651434e+00 -2.07251927e-01 19 9.97857274e+00 -1.15107559e+01 1.17305842e+01 20 -1.36439611e+01 2.96794247e+00 1.11811338e+01 21 3.68779887e+00 -6.91203511e+00 6.17436729e+00 22 7.40797542e+00 -2.03284311e+00 2.69792814e-01 23 1.68368084e+00 -1.78595140e+00 2.30672179e+00 24 9.81437270e+00 -5.61783969e+00 8.98676255e+00 25 -1.60280173e+01 -1.95791707e+01 8.36611540e+00 26 1.52248706e+01 1.71560588e+01 1.84183155e+00 27 -7.74589697e-01 9.79659924e+00 1.27008070e+01 28 -1.18907434e+01 7.10616684e+00 1.38184169e+01 29 1.13984138e+01 9.21856386e+00 1.19794534e+01 30 1.05482986e+01 6.83868417e+00 -8.85000900e+00 31 5.97434060e+00 -5.90910030e+00 7.92436565e+00 32 -8.87574497e+00 6.49969755e+00 9.92405735e+00 MIXED STRUCTURE (pbc=False)-- Species = Fe Ti (Configuration in file "config-F-FeTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 134.6613300706328 Forces: 1 -3.76271819e+01 -2.28260916e+01 -3.75649292e+01 2 1.32822331e+01 -2.55508955e+01 -2.00414616e+01 3 2.00005810e+01 -9.93469089e+00 3.64222823e+01 4 -1.30527480e+01 2.85538060e+01 -1.87734928e+01 5 1.17549783e+01 -1.53412700e+01 -2.30210485e+01 6 1.16156020e+01 1.18739605e+01 -2.26711929e+01 7 1.18580459e+01 -2.67845941e+01 7.80663483e+00 8 -8.85573238e+00 7.31487590e+00 -7.56412119e-01 9 -3.92600332e+01 2.46468311e+01 -3.76352548e+00 10 3.06655609e+00 1.40955036e+01 -1.19796009e+01 11 8.42810370e+00 -2.87358821e+00 -1.25260766e+01 12 -9.01915527e+00 9.94622555e+00 -2.55521062e+00 13 1.28734904e+01 1.48379154e+01 -1.67966380e+01 14 3.60647751e+00 7.51237253e+00 -1.05354826e+01 15 2.05472686e+01 -9.01368846e+00 5.57188728e+00 16 -1.50267723e+01 1.79096401e+01 -1.20803197e+01 17 -1.29305701e+01 -2.92835043e+01 3.16141267e+01 18 -1.33750045e+01 -8.47671677e+00 -1.30273244e+01 19 -1.07577143e+01 -1.33059403e+01 1.75362584e+01 20 -1.28307951e+01 -6.73235814e+00 9.08053245e+00 21 -7.41274946e+00 -3.11441806e+01 -2.07683490e+01 22 2.93836646e+01 8.88994644e+00 -8.95123535e+00 23 5.42327089e+01 -4.60302897e+01 3.22997395e+01 24 -2.54207040e+01 4.16663411e+01 2.63475176e+01 25 -4.37905687e+01 -2.04565194e+01 -1.19630198e+01 26 2.42806356e+01 3.79662885e+01 -1.44079108e+01 27 2.16036372e+01 8.59115973e-02 3.64909204e+01 28 -3.61786689e+01 2.11472576e+01 3.20305978e+01 29 1.51885110e+01 -4.39325515e+00 -8.79286339e+00 30 1.79672655e+01 1.34079396e+01 9.60440763e+00 31 8.71342457e+00 -2.11525409e+00 6.97416781e+00 32 -2.86478576e+00 1.44080216e+01 1.91970209e+01 MIXED STRUCTURE (pbc=True)-- Species = Fe Ti (Configuration in file "config-T-FeTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 178.002545638014 Forces: 1 -4.15734188e+01 -1.93432128e+01 -4.87183965e+01 2 3.65158071e+01 -2.47980233e+01 1.35845855e+01 3 3.23970022e+01 -2.57198923e-01 4.54333234e+01 4 -3.82982668e+00 3.55893197e+01 -2.69142845e+01 5 1.72254250e+01 -4.95604834e+00 -1.67497192e+01 6 1.41981628e+01 1.23151067e+01 -9.69373153e+00 7 6.30550713e+00 -1.25777331e+01 5.37834018e+00 8 -9.90389500e+00 7.80034223e+00 1.88634960e-01 9 -3.17998216e+01 3.05040833e+01 3.40834016e+00 10 -5.90086443e-01 6.65396020e-01 -1.17640830e+01 11 8.24536954e+00 -3.44688314e+00 -1.25847981e+01 12 -2.37413255e-01 3.48166604e-01 -5.37819695e+00 13 1.15818964e+01 1.32327374e+01 -1.31580114e+01 14 -5.08807217e-01 6.69248699e+00 -6.60011587e+00 15 5.85722607e+00 -9.42927477e+00 5.35012299e+00 16 -1.76148028e+01 3.79971226e+00 -7.56822357e+00 17 -1.23978898e+00 -2.76639740e+01 3.94453641e+01 18 -1.43686327e+01 -7.80829605e+00 -1.12013884e+01 19 -1.38982892e+01 -6.83483114e+00 9.30324362e+00 20 -2.52977518e+01 -2.32460950e+01 -2.46511894e+01 21 -1.12220620e+01 -2.23680597e+01 -2.16808451e+01 22 2.09974614e+01 1.22063231e+01 -8.40367679e+00 23 5.80887452e+01 -4.79438426e+01 3.32304800e+01 24 -3.91432301e+01 4.98488401e+01 1.87493463e+01 25 -3.53959095e+01 -2.46122053e+01 -1.24896575e+01 26 2.34193738e+01 3.57601449e+01 -1.49963749e+01 27 2.42113182e+01 4.05447477e+00 2.86354644e+01 28 -2.17615719e+01 2.18706949e+01 2.97467524e+01 29 1.46875430e+01 -5.29354566e+00 -9.27584622e+00 30 4.79168787e+00 3.21643113e+00 1.12381043e+01 31 -7.63685143e+00 -2.72469186e+00 8.85443700e-01 32 -2.50036630e+00 5.39965536e+00 1.72509929e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==259916== Memcheck, a memory error detector ==259916== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==259916== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==259916== Command: python runner2.py MEAM_LAMMPS_SaLee_2008_FeTi__MO_260546967793_001 ==259916== ==260844== Warning: invalid file descriptor 255988 in syscall close() ==260844== Warning: invalid file descriptor 255989 in syscall close() ==260844== Warning: invalid file descriptor 255990 in syscall close() ==260844== Warning: invalid file descriptor 255991 in syscall close() ==260844== Use --log-fd= to select an alternative log fd. ==260844== Warning: invalid file descriptor 255992 in syscall close() ==260844== Warning: invalid file descriptor 255993 in syscall close() ==259916== Mismatched free() / delete / delete [] ==259916== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==259916== by 0x4949439C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x4936754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x49368C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x49351DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x493555CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x34010F1E: 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) ==259916== by 0x34011E18: 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) ==259916== by 0x34016762: 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) ==259916== by 0x33FC6246: 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) ==259916== by 0x276424C7: 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) ==259916== by 0x276562E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==259916== Address 0x46fac050 is 0 bytes inside a block of size 1,024 alloc'd ==259916== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==259916== by 0x49493B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x4936754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x49368C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x49351DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x493555CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x34010F1E: 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) ==259916== by 0x34011E18: 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) ==259916== by 0x34016762: 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) ==259916== by 0x33FC6246: 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) ==259916== by 0x276424C7: 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) ==259916== by 0x276562E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==259916== ==259916== Mismatched free() / delete / delete [] ==259916== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==259916== by 0x4948EDCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x49367578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x49368C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x49351DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x493555CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x34010F1E: 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) ==259916== by 0x34011E18: 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) ==259916== by 0x34016762: 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) ==259916== by 0x33FC6246: 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) ==259916== by 0x276424C7: 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) ==259916== by 0x276562E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==259916== Address 0x46fad2e0 is 0 bytes inside a block of size 1,024 alloc'd ==259916== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==259916== by 0x4948EBAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x49367578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x49368C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x49351DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x493555CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-dea1dd0b-f82e-4891-86d2-ccb8a07815b6-007-4fb712a0-0462-4823-bfd5-444fb5407ec7/VC_561022993723_003-and-MO_260546967793_001-1657579011/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==259916== by 0x34010F1E: 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) ==259916== by 0x34011E18: 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) ==259916== by 0x34016762: 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) ==259916== by 0x33FC6246: 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) ==259916== by 0x276424C7: 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) ==259916== by 0x276562E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==259916== ==259916== ==259916== HEAP SUMMARY: ==259916== in use at exit: 2,203,191 bytes in 1,644 blocks ==259916== total heap usage: 95,939 allocs, 94,295 frees, 120,246,877 bytes allocated ==259916== ==259916== LEAK SUMMARY: ==259916== definitely lost: 0 bytes in 0 blocks ==259916== indirectly lost: 0 bytes in 0 blocks ==259916== possibly lost: 198,622 bytes in 101 blocks ==259916== still reachable: 2,004,537 bytes in 1,542 blocks ==259916== suppressed: 32 bytes in 1 blocks ==259916== Rerun with --leak-check=full to see details of leaked memory ==259916== ==259916== For lists of detected and suppressed errors, rerun with: -s ==259916== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9326 from 561) ================================================================================ 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.