!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_OhSeolLee_2020_CoTi__MO_862371677648_001 Supported species : Co Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Co (Configuration in file "config-F-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -47.618761813079765 Forces: 1 -3.15759840e+00 -9.15148252e+00 -9.45755701e+00 2 -2.65478469e+00 3.65027400e+00 -3.46478385e+00 3 4.73041159e+00 -4.75678488e+00 -7.63670837e-01 4 -3.49718869e+00 1.06995503e+01 7.64724389e+00 5 2.28977576e+00 -6.15993089e+00 -8.11765378e-01 6 2.24136595e+00 2.06236153e+00 -2.68336370e+00 7 3.75374848e+00 -1.58341300e+01 -1.38065370e+01 8 -1.44519232e+01 -1.48322251e+01 -1.98803204e+00 9 -4.69377284e+00 -2.21980700e+00 -5.09429514e+00 10 -4.88752509e+00 8.66337738e+00 -9.22817372e+00 11 -5.53343253e+00 -7.12226301e+00 2.28188024e+00 12 -3.51688318e+00 6.22230029e+00 -2.53897126e+00 13 -1.54162649e+00 -4.74403650e+00 -2.12139228e+01 14 3.24344002e+00 3.25494856e+00 -1.02695057e+00 15 2.44907484e+01 7.62032649e+00 1.96224403e+00 16 7.20869225e+00 1.64100622e+01 6.66487725e+00 17 -6.07811477e+00 -2.97317804e+00 -4.84677558e-01 18 2.32150096e-01 7.81460238e+00 -8.45752706e+00 19 -4.16202795e-01 -1.13061291e+01 5.90789262e+00 20 -4.03307854e+00 3.00399381e+00 3.53371052e+00 21 -5.68865698e+00 -6.20239086e+00 3.76535633e+00 22 1.14322715e+01 1.03917275e+01 1.19402951e+01 23 1.72790601e+00 -3.07970881e-01 3.36812873e+00 24 4.76187428e+00 3.65368020e+00 6.53062721e+00 25 -7.11609593e+00 -5.88818167e+00 2.87071273e+00 26 -4.19482128e+00 1.07330758e+01 -4.28784955e+00 27 6.36389734e+00 -1.67994388e+01 7.53052835e+00 28 -1.31692969e+01 1.16571571e+01 2.73089230e+00 29 -2.86185870e+00 -3.40455423e+00 6.20292793e+00 30 3.62216411e+00 6.95211798e+00 -4.66682913e+00 31 6.57530044e+00 -8.56220196e+00 9.11982942e+00 32 4.81911479e+00 7.47514993e+00 7.91776002e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Co (Configuration in file "config-T-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -47.618761813079765 Forces: 1 -3.15759840e+00 -9.15148252e+00 -9.45755701e+00 2 -2.65478469e+00 3.65027400e+00 -3.46478385e+00 3 4.73041159e+00 -4.75678488e+00 -7.63670837e-01 4 -3.49718869e+00 1.06995503e+01 7.64724389e+00 5 2.28977576e+00 -6.15993089e+00 -8.11765378e-01 6 2.24136595e+00 2.06236153e+00 -2.68336370e+00 7 3.75374848e+00 -1.58341300e+01 -1.38065370e+01 8 -1.44519232e+01 -1.48322251e+01 -1.98803204e+00 9 -4.69377284e+00 -2.21980700e+00 -5.09429514e+00 10 -4.88752509e+00 8.66337738e+00 -9.22817372e+00 11 -5.53343253e+00 -7.12226301e+00 2.28188024e+00 12 -3.51688318e+00 6.22230029e+00 -2.53897126e+00 13 -1.54162649e+00 -4.74403650e+00 -2.12139228e+01 14 3.24344002e+00 3.25494856e+00 -1.02695057e+00 15 2.44907484e+01 7.62032649e+00 1.96224403e+00 16 7.20869225e+00 1.64100622e+01 6.66487725e+00 17 -6.07811477e+00 -2.97317804e+00 -4.84677558e-01 18 2.32150096e-01 7.81460238e+00 -8.45752706e+00 19 -4.16202795e-01 -1.13061291e+01 5.90789262e+00 20 -4.03307854e+00 3.00399381e+00 3.53371052e+00 21 -5.68865698e+00 -6.20239086e+00 3.76535633e+00 22 1.14322715e+01 1.03917275e+01 1.19402951e+01 23 1.72790601e+00 -3.07970881e-01 3.36812873e+00 24 4.76187428e+00 3.65368020e+00 6.53062721e+00 25 -7.11609593e+00 -5.88818167e+00 2.87071273e+00 26 -4.19482128e+00 1.07330758e+01 -4.28784955e+00 27 6.36389734e+00 -1.67994388e+01 7.53052835e+00 28 -1.31692969e+01 1.16571571e+01 2.73089230e+00 29 -2.86185870e+00 -3.40455423e+00 6.20292793e+00 30 3.62216411e+00 6.95211798e+00 -4.66682913e+00 31 6.57530044e+00 -8.56220196e+00 9.11982942e+00 32 4.81911479e+00 7.47514993e+00 7.91776002e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 87.63061737750297 Forces: 1 -1.49831930e+01 -8.28299149e+00 -1.37387710e+01 2 -8.13256170e+00 6.77472527e+00 -2.25100306e+01 3 5.48975851e-01 -1.46339139e+01 1.61068963e+01 4 -1.59870895e+01 -5.86875890e+00 -9.35109583e+00 5 1.04261073e+01 -1.79386191e+01 -1.26092196e+01 6 1.25106852e+01 -9.28111774e+00 -1.28318079e+01 7 1.09955458e+01 -1.89185408e+01 -9.74690452e+00 8 6.10161990e+00 1.52501834e+00 6.75110859e+00 9 -6.00703379e+00 5.34234374e-01 -7.10047570e+00 10 -3.66718406e+00 9.45781860e+00 -1.04092307e+01 11 -2.76509982e+00 1.14469855e+01 -6.38288582e+00 12 -5.77477509e+00 1.07392671e+01 -4.22963588e-02 13 6.34008609e-01 5.84256687e+00 -1.50912600e+01 14 3.89854649e+00 6.91488698e+00 -4.61748226e+00 15 1.16896914e+01 6.86965596e+00 5.23202318e+00 16 9.80632653e+00 1.24245566e+01 -6.57817316e+00 17 -6.76697035e+00 -5.29469305e+00 3.84113744e+00 18 -1.91181561e+00 -1.05198368e+01 6.44875875e+00 19 -6.11285839e+00 -8.21884509e+00 7.73075750e+00 20 -4.06117560e+00 1.46963226e+00 9.37919077e+00 21 -6.91467111e+00 -1.31345639e+01 1.12772204e+00 22 1.56867530e+01 1.02226599e+01 7.93253202e+00 23 7.68196583e+00 -5.23918584e+00 1.12287435e+01 24 3.14184990e+00 -1.20215859e+01 1.85380739e+01 25 -2.03274796e+01 4.74693565e+00 5.35011461e+00 26 -2.07053583e+01 1.52012465e+01 -8.18581581e+00 27 -1.79155548e+01 -7.33907157e+00 2.91235164e+01 28 -6.47016286e+00 4.79187070e+00 3.07275880e+00 29 8.62928441e+00 -1.07808043e+01 -2.05647594e+01 30 2.56259895e+01 1.58583617e+01 -9.98715780e+00 31 1.49180903e+01 -2.74327561e+00 1.24455652e+01 32 6.20754351e+00 2.53953817e+01 2.54384675e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 87.63061737750297 Forces: 1 -1.49831930e+01 -8.28299149e+00 -1.37387710e+01 2 -8.13256170e+00 6.77472527e+00 -2.25100306e+01 3 5.48975851e-01 -1.46339139e+01 1.61068963e+01 4 -1.59870895e+01 -5.86875890e+00 -9.35109583e+00 5 1.04261073e+01 -1.79386191e+01 -1.26092196e+01 6 1.25106852e+01 -9.28111774e+00 -1.28318079e+01 7 1.09955458e+01 -1.89185408e+01 -9.74690452e+00 8 6.10161990e+00 1.52501834e+00 6.75110859e+00 9 -6.00703379e+00 5.34234374e-01 -7.10047570e+00 10 -3.66718406e+00 9.45781860e+00 -1.04092307e+01 11 -2.76509982e+00 1.14469855e+01 -6.38288582e+00 12 -5.77477509e+00 1.07392671e+01 -4.22963588e-02 13 6.34008609e-01 5.84256687e+00 -1.50912600e+01 14 3.89854649e+00 6.91488698e+00 -4.61748226e+00 15 1.16896914e+01 6.86965596e+00 5.23202318e+00 16 9.80632653e+00 1.24245566e+01 -6.57817316e+00 17 -6.76697035e+00 -5.29469305e+00 3.84113744e+00 18 -1.91181561e+00 -1.05198368e+01 6.44875875e+00 19 -6.11285839e+00 -8.21884509e+00 7.73075750e+00 20 -4.06117560e+00 1.46963226e+00 9.37919077e+00 21 -6.91467111e+00 -1.31345639e+01 1.12772204e+00 22 1.56867530e+01 1.02226599e+01 7.93253202e+00 23 7.68196583e+00 -5.23918584e+00 1.12287435e+01 24 3.14184990e+00 -1.20215859e+01 1.85380739e+01 25 -2.03274796e+01 4.74693565e+00 5.35011461e+00 26 -2.07053583e+01 1.52012465e+01 -8.18581581e+00 27 -1.79155548e+01 -7.33907157e+00 2.91235164e+01 28 -6.47016286e+00 4.79187070e+00 3.07275880e+00 29 8.62928441e+00 -1.07808043e+01 -2.05647594e+01 30 2.56259895e+01 1.58583617e+01 -9.98715780e+00 31 1.49180903e+01 -2.74327561e+00 1.24455652e+01 32 6.20754351e+00 2.53953817e+01 2.54384675e+01 MIXED STRUCTURE (pbc=False)-- Species = Co Ti (Configuration in file "config-F-CoTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 16.83881740092136 Forces: 1 -1.04617676e+01 -6.93007614e+00 -8.71927272e+00 2 -1.05456482e+01 7.89081345e+00 -2.34806733e+01 3 -1.01119509e+01 -2.97929770e+01 -3.75572303e+00 4 -1.57141850e+01 5.58295051e+00 -8.91910694e+00 5 7.57421743e+00 -1.17681712e+01 -1.43898884e+01 6 7.52778233e+00 -1.25422022e+00 -5.26477809e+00 7 6.03826158e+00 -4.59891486e+00 -6.16191149e-01 8 2.33537442e+01 2.83141984e+00 -1.34597097e+00 9 -7.86555110e+00 2.10539929e+00 -4.04335391e+00 10 1.61223229e+00 2.72956388e+00 -8.94312648e+00 11 -8.73240971e+00 1.10604955e+01 -5.75295072e+00 12 -5.87501087e+00 3.68393757e+00 3.57038614e+00 13 2.08131993e+00 8.14273022e+00 -1.07513152e+01 14 1.42565599e+01 5.32020409e+00 -1.54983194e+01 15 1.45844031e+01 -3.30833421e+00 -4.90648004e+00 16 -9.88550774e+00 1.00841293e+01 9.31316170e+00 17 -1.89027526e+01 -1.11428282e+01 9.30901465e+00 18 -4.20274410e+00 7.05920967e+00 1.81771019e+01 19 3.08856523e+00 -5.32228342e+00 8.14385124e+00 20 -9.58900568e+00 -5.06689187e+00 4.10250013e+00 21 1.58649005e+01 -1.54985366e+01 8.99319117e+00 22 1.67487638e+01 7.90055296e+00 -1.43336708e+01 23 1.06925430e+01 -1.69705178e+01 1.29831666e+01 24 -1.35148664e+01 3.60610574e+00 1.59472976e+01 25 -1.50403450e+01 -3.66045449e+00 -1.21779094e+01 26 -4.26284648e+00 1.15933113e+01 4.57196874e+00 27 1.52747668e+01 1.86223874e+00 1.58302243e+01 28 -4.05001500e+00 1.00260192e+01 7.35130658e+00 29 3.62868888e+00 5.00490464e+00 1.44658243e+01 30 4.34589194e+00 1.19000263e+01 -4.33441198e+00 31 2.02296116e+00 -6.58752232e+00 1.05336534e+01 32 5.90043890e-02 3.51771601e+00 3.94049418e+00 MIXED STRUCTURE (pbc=True)-- Species = Co Ti (Configuration in file "config-T-CoTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 48.572093436198344 Forces: 1 -1.74186203e+01 4.74740722e+00 -4.98838497e+00 2 -7.20125024e+00 2.08498075e+00 -4.80522849e+00 3 -7.16277332e+00 -1.15767984e+01 1.16537040e-01 4 -1.30625440e+01 7.25113007e+00 -8.52841121e+00 5 1.04864213e+01 1.85578127e+00 -1.39568882e+01 6 6.53619828e+00 6.75576277e-01 -3.59414434e+00 7 5.58475148e+00 1.80136695e+00 1.52192259e+00 8 2.22334290e+01 3.07512058e+00 -1.25663851e+00 9 -5.88548290e+00 2.40379325e+00 -1.89049125e+00 10 4.52070634e+00 -1.41218337e+01 -5.61306832e+00 11 -7.92189919e+00 1.03718107e+01 -5.46301651e+00 12 -4.36002056e+00 -5.38858831e+00 4.10306899e+00 13 3.85534054e+00 6.41826631e+00 -3.43799318e+00 14 1.26062232e+01 -2.01251248e+00 -1.48380988e+01 15 4.43434389e+00 -6.40636174e+00 -4.60344243e+00 16 -6.52614152e+00 -5.19233820e+00 1.21608997e+01 17 -1.43601554e+01 -7.10120675e+00 1.20441768e+01 18 -2.96634012e+00 8.86123336e+00 1.76129907e+01 19 2.62618667e+00 -4.07397996e-01 5.23597860e+00 20 -1.05852664e+01 -3.58573259e+00 -4.93848192e-01 21 1.51372312e+01 -1.21684662e+01 1.07717894e+01 22 1.03786684e+01 7.68805610e+00 -1.61439100e+01 23 4.17291630e+00 -1.33462607e+01 8.91613802e+00 24 -1.37903850e+01 3.36960360e+00 1.23197540e+01 25 -5.41268055e+00 -2.79128736e+00 -9.84922509e+00 26 -3.15569304e+00 5.56340235e+00 4.53839703e+00 27 1.40163431e+01 6.94347583e+00 -7.15955668e+00 28 5.24613049e+00 4.82721095e+00 1.54087079e+00 29 3.22399325e+00 4.78123688e+00 1.31912561e+01 30 -2.10466507e+00 9.68868739e+00 -6.88241030e+00 31 -6.09869878e+00 -8.80659573e+00 1.00118910e+01 32 2.95373282e+00 4.97240356e-01 -5.80914417e-01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==118050== Memcheck, a memory error detector ==118050== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==118050== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==118050== Command: python runner2.py MEAM_LAMMPS_OhSeolLee_2020_CoTi__MO_862371677648_001 ==118050== ==126712== Warning: invalid file descriptor 255988 in syscall close() ==126712== Warning: invalid file descriptor 255989 in syscall close() ==126712== Warning: invalid file descriptor 255990 in syscall close() ==126712== Warning: invalid file descriptor 255991 in syscall close() ==126712== Use --log-fd= to select an alternative log fd. ==126712== Warning: invalid file descriptor 255992 in syscall close() ==126712== Warning: invalid file descriptor 255993 in syscall close() ==118050== Mismatched free() / delete / delete [] ==118050== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==118050== by 0x119B5739C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x119A2A54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x119A2BC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x119A14DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x119A185CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x57E75F1E: 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) ==118050== by 0x57E76E18: 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) ==118050== by 0x57E7B762: 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) ==118050== by 0x57E2B246: 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) ==118050== by 0x1C88F4C7: 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) ==118050== by 0x1C8A32E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==118050== Address 0x92302fe0 is 0 bytes inside a block of size 1,024 alloc'd ==118050== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==118050== by 0x119B56B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x119A2A54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x119A2BC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x119A14DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x119A185CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x57E75F1E: 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) ==118050== by 0x57E76E18: 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) ==118050== by 0x57E7B762: 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) ==118050== by 0x57E2B246: 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) ==118050== by 0x1C88F4C7: 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) ==118050== by 0x1C8A32E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==118050== ==118050== Mismatched free() / delete / delete [] ==118050== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==118050== by 0x119B51DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x119A2A578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x119A2BC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x119A14DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x119A185CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x57E75F1E: 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) ==118050== by 0x57E76E18: 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) ==118050== by 0x57E7B762: 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) ==118050== by 0x57E2B246: 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) ==118050== by 0x1C88F4C7: 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) ==118050== by 0x1C8A32E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==118050== Address 0x92304270 is 0 bytes inside a block of size 1,024 alloc'd ==118050== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==118050== by 0x119B51BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x119A2A578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x119A2BC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x119A14DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x119A185CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-4258af8a-8a25-404b-9c42-5a0531cdd403-007-2aef30c4-6622-47cf-aef1-dbe4fd0fa72a/VC_561022993723_003-and-MO_862371677648_001-1657322573/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==118050== by 0x57E75F1E: 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) ==118050== by 0x57E76E18: 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) ==118050== by 0x57E7B762: 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) ==118050== by 0x57E2B246: 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) ==118050== by 0x1C88F4C7: 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) ==118050== by 0x1C8A32E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==118050== ==118050== ==118050== HEAP SUMMARY: ==118050== in use at exit: 2,203,191 bytes in 1,644 blocks ==118050== total heap usage: 95,939 allocs, 94,295 frees, 120,252,504 bytes allocated ==118050== ==118050== LEAK SUMMARY: ==118050== definitely lost: 0 bytes in 0 blocks ==118050== indirectly lost: 0 bytes in 0 blocks ==118050== possibly lost: 198,622 bytes in 101 blocks ==118050== still reachable: 2,004,537 bytes in 1,542 blocks ==118050== suppressed: 32 bytes in 1 blocks ==118050== Rerun with --leak-check=full to see details of leaked memory ==118050== ==118050== For lists of detected and suppressed errors, rerun with: -s ==118050== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9311 from 552) ================================================================================ 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.