!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_CoV__MO_771146361182_001 Supported species : Co V 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 = V (Configuration in file "config-F-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = -57.7941342618432 Forces: 1 -5.68102157e+00 -2.64392107e+00 -4.01087066e+00 2 -3.56107715e+00 2.14973409e+00 -1.31977749e+01 3 -1.90995383e+00 -1.05135098e+01 5.26525167e+00 4 -1.01166339e+01 -1.58826103e+00 -5.00069573e+00 5 4.19394765e+00 -8.07420269e+00 -5.91122961e+00 6 6.57651093e+00 -2.58502699e+00 -4.53544282e+00 7 4.35695707e+00 -7.59301657e+00 -2.01634890e+00 8 3.60895442e+00 2.80280899e-02 1.31855934e+00 9 -1.50004686e+00 5.65591875e-01 -1.59541618e+00 10 -1.80596480e+00 3.63935332e+00 -4.57713458e+00 11 -2.18493560e+00 5.50941738e+00 -5.16359063e+00 12 -2.76249654e+00 3.85878990e+00 -1.02465036e+00 13 1.53930026e+00 3.11632945e+00 -8.06434011e+00 14 1.70900814e+00 2.09468379e+00 -1.16845737e+00 15 6.46885127e+00 3.01444344e+00 -9.85477633e-01 16 2.52167590e+00 7.41863958e+00 -4.74976703e+00 17 -2.11705833e+00 -2.02018426e+00 1.64864758e+00 18 -2.16496447e+00 -3.97671222e+00 4.30418680e+00 19 -2.57016093e+00 -3.15064277e+00 3.72058633e+00 20 -2.91742855e+00 -1.36065261e+00 3.97931218e+00 21 -6.32815211e-01 -8.77407916e+00 1.91862929e+00 22 1.00117358e+01 2.06891564e+00 3.29207767e+00 23 1.84224380e+00 -1.43933854e+00 2.46634821e+00 24 -6.99337355e-01 -6.45318940e+00 1.13231772e+01 25 -9.06320312e+00 3.08463443e+00 3.71185593e+00 26 -1.01260082e+01 1.16580261e+01 -3.30433580e+00 27 -1.00804316e+01 -2.44267021e+00 1.64167743e+01 28 -2.49788952e+00 1.30404127e+00 1.04998964e+00 29 6.96821566e+00 -6.93225574e+00 -9.78935081e+00 30 1.27923198e+01 9.31841935e+00 -4.00518338e+00 31 8.12676478e+00 -1.87318023e+00 6.56638528e+00 32 1.67494202e+00 1.25917956e+01 1.21182851e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = V (Configuration in file "config-T-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = -57.7941342618432 Forces: 1 -5.68102157e+00 -2.64392107e+00 -4.01087066e+00 2 -3.56107715e+00 2.14973409e+00 -1.31977749e+01 3 -1.90995383e+00 -1.05135098e+01 5.26525167e+00 4 -1.01166339e+01 -1.58826103e+00 -5.00069573e+00 5 4.19394765e+00 -8.07420269e+00 -5.91122961e+00 6 6.57651093e+00 -2.58502699e+00 -4.53544282e+00 7 4.35695707e+00 -7.59301657e+00 -2.01634890e+00 8 3.60895442e+00 2.80280899e-02 1.31855934e+00 9 -1.50004686e+00 5.65591875e-01 -1.59541618e+00 10 -1.80596480e+00 3.63935332e+00 -4.57713458e+00 11 -2.18493560e+00 5.50941738e+00 -5.16359063e+00 12 -2.76249654e+00 3.85878990e+00 -1.02465036e+00 13 1.53930026e+00 3.11632945e+00 -8.06434011e+00 14 1.70900814e+00 2.09468379e+00 -1.16845737e+00 15 6.46885127e+00 3.01444344e+00 -9.85477633e-01 16 2.52167590e+00 7.41863958e+00 -4.74976703e+00 17 -2.11705833e+00 -2.02018426e+00 1.64864758e+00 18 -2.16496447e+00 -3.97671222e+00 4.30418680e+00 19 -2.57016093e+00 -3.15064277e+00 3.72058633e+00 20 -2.91742855e+00 -1.36065261e+00 3.97931218e+00 21 -6.32815211e-01 -8.77407916e+00 1.91862929e+00 22 1.00117358e+01 2.06891564e+00 3.29207767e+00 23 1.84224380e+00 -1.43933854e+00 2.46634821e+00 24 -6.99337355e-01 -6.45318940e+00 1.13231772e+01 25 -9.06320312e+00 3.08463443e+00 3.71185593e+00 26 -1.01260082e+01 1.16580261e+01 -3.30433580e+00 27 -1.00804316e+01 -2.44267021e+00 1.64167743e+01 28 -2.49788952e+00 1.30404127e+00 1.04998964e+00 29 6.96821566e+00 -6.93225574e+00 -9.78935081e+00 30 1.27923198e+01 9.31841935e+00 -4.00518338e+00 31 8.12676478e+00 -1.87318023e+00 6.56638528e+00 32 1.67494202e+00 1.25917956e+01 1.21182851e+01 MIXED STRUCTURE (pbc=False)-- Species = Co V (Configuration in file "config-F-CoV.xyz") ----------------------------------------------------------------------------------------------------- Energy = -59.09976347321106 Forces: 1 -1.52180792e+00 -3.04680794e+00 -3.62650710e+00 2 -1.10078097e+00 -6.54283112e-01 -1.36338136e+01 3 -3.96680313e+00 -1.43146758e+01 -5.42102769e+00 4 -1.44722212e+01 4.57680026e+00 -8.99416899e+00 5 4.17934116e+00 -3.90877178e+00 -6.76634506e+00 6 5.54427008e+00 -1.83539057e+00 -2.99560337e+00 7 1.77028648e+00 -1.73587871e+00 1.50223628e-01 8 8.75489372e+00 -1.70264469e+00 -2.87954239e+00 9 -5.28560627e+00 2.86450760e+00 -3.88539966e+00 10 -9.76463870e-02 2.14761538e+00 -1.52462980e+00 11 -3.54581859e+00 6.21650737e+00 -7.00790943e+00 12 -1.88493662e+00 1.41713051e+00 3.04062404e-01 13 1.18573227e+00 5.33512859e+00 -6.89724802e+00 14 8.40010220e+00 1.57717391e+00 -8.80527781e+00 15 6.84173665e+00 -3.11793765e+00 -4.67083729e+00 16 -6.63589528e+00 6.51354925e+00 3.01219488e+00 17 -1.20556137e+01 -1.29751902e+01 5.34467614e+00 18 2.67199008e+00 5.81092547e+00 8.22279466e+00 19 -1.99013895e-01 -7.10659718e+00 6.99934358e+00 20 -5.14590062e+00 -1.02955912e+00 5.45627371e+00 21 5.29704177e+00 -5.75635062e+00 7.21783703e+00 22 1.09805922e+01 4.02751195e+00 -6.84861185e+00 23 5.61872294e+00 -6.95492789e+00 5.24570164e+00 24 -3.99618265e+00 1.40488639e+00 1.07256317e+01 25 -9.38938652e+00 2.79752095e+00 3.51694716e+00 26 -7.15491572e+00 1.30204058e+01 4.25188602e+00 27 3.49363502e+00 1.65104702e+00 5.29646292e+00 28 -1.24208727e+00 1.55243446e+00 1.94348301e+00 29 7.27232600e+00 -4.17950319e+00 6.90159781e+00 30 2.45983989e+00 8.40080208e+00 -2.16716218e-01 31 1.09013176e+00 -2.67743667e+00 5.89331574e+00 32 2.13397457e+00 1.68200807e+00 3.69120621e+00 MIXED STRUCTURE (pbc=True)-- Species = Co V (Configuration in file "config-T-CoV.xyz") ----------------------------------------------------------------------------------------------------- Energy = -30.489220728107064 Forces: 1 -5.03440196e+00 -8.80733721e-01 -1.32575043e+00 2 2.62950873e-01 -4.03423190e+00 -2.62706986e+00 3 -2.06862504e+00 -7.55953775e+00 -2.52112946e+00 4 -1.01749432e+01 6.14519514e+00 -7.99595310e+00 5 5.27921003e+00 9.33179388e-01 -7.19517453e+00 6 2.17045390e+00 3.23992015e-01 3.55196038e-01 7 1.31110940e+00 4.10257266e+00 1.35534160e+00 8 8.15959877e+00 -2.04357608e-01 -1.05054652e+00 9 -5.04608218e+00 1.23330287e+00 -2.78850010e+00 10 1.87993714e+00 -4.67035443e+00 1.52195148e+00 11 -2.11982152e+00 5.02350800e+00 -6.11362254e+00 12 -3.16272020e+00 -3.81089971e+00 2.67518444e+00 13 1.70721443e+00 5.03394480e+00 -1.49272073e+00 14 9.46708968e+00 -1.57281028e+00 -1.17239024e+01 15 9.06972705e-01 -4.36002701e+00 -3.77642811e+00 16 -5.89416729e+00 -7.43823819e-01 5.13258250e+00 17 -8.52371805e+00 -9.93950674e+00 4.82647970e+00 18 3.66377030e+00 7.73891820e+00 7.58488411e+00 19 1.18903610e+00 -1.39403003e+00 2.17628956e+00 20 -2.70621315e+00 3.38522607e+00 3.60185810e+00 21 5.62769705e+00 -1.51130272e+00 7.58358950e+00 22 4.53034376e+00 7.07035998e+00 -1.00762201e+01 23 2.26822008e+00 -9.91488298e+00 4.98767597e+00 24 -6.54487017e+00 1.96716118e+00 6.01564730e+00 25 -5.83533865e+00 6.18698006e-01 3.13825954e+00 26 -6.26730853e+00 7.99575095e+00 4.81222496e+00 27 6.15282739e+00 4.85350113e+00 -6.64243447e+00 28 -5.60707105e+00 -4.04309683e+00 -2.40637897e+00 29 6.22580718e+00 -5.77372681e+00 5.90069168e+00 30 1.06011238e+00 8.58572326e+00 3.51711735e-01 31 -1.22619525e-01 -3.15837941e+00 5.78665862e+00 32 7.24554939e+00 -1.43933189e+00 -7.03956110e-02 ================================================================================ VALGRIND OUTPUT ================================================================================ ==180908== Memcheck, a memory error detector ==180908== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==180908== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==180908== Command: python runner2.py MEAM_LAMMPS_OhSeolLee_2020_CoV__MO_771146361182_001 ==180908== ==183168== Warning: invalid file descriptor 255988 in syscall close() ==183168== Warning: invalid file descriptor 255989 in syscall close() ==183168== Warning: invalid file descriptor 255990 in syscall close() ==183168== Warning: invalid file descriptor 255991 in syscall close() ==183168== Use --log-fd= to select an alternative log fd. ==183168== Warning: invalid file descriptor 255992 in syscall close() ==183168== Warning: invalid file descriptor 255993 in syscall close() ==180908== Mismatched free() / delete / delete [] ==180908== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==180908== by 0x119B7839C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x119A4B54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x119A4CC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x119A35DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x119A395CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x50289F1E: 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) ==180908== by 0x5028AE18: 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) ==180908== by 0x5028F762: 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) ==180908== by 0x5023F246: 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) ==180908== by 0x294F94C7: 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) ==180908== by 0x2950D2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==180908== Address 0x4fee6190 is 0 bytes inside a block of size 1,024 alloc'd ==180908== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==180908== by 0x119B77B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x119A4B54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x119A4CC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x119A35DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x119A395CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x50289F1E: 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) ==180908== by 0x5028AE18: 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) ==180908== by 0x5028F762: 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) ==180908== by 0x5023F246: 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) ==180908== by 0x294F94C7: 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) ==180908== by 0x2950D2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==180908== ==180908== Mismatched free() / delete / delete [] ==180908== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==180908== by 0x119B72DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x119A4B578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x119A4CC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x119A35DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x119A395CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x50289F1E: 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) ==180908== by 0x5028AE18: 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) ==180908== by 0x5028F762: 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) ==180908== by 0x5023F246: 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) ==180908== by 0x294F94C7: 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) ==180908== by 0x2950D2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==180908== Address 0x4fee7420 is 0 bytes inside a block of size 1,024 alloc'd ==180908== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==180908== by 0x119B72BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x119A4B578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x119A4CC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x119A35DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x119A395CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-ae0abbb9-9436-4b40-8853-a10e6400fddc-007-e874cf34-26ec-4c7b-bcd9-36aa441c3261/VC_561022993723_003-and-MO_771146361182_001-1657322713/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==180908== by 0x50289F1E: 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) ==180908== by 0x5028AE18: 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) ==180908== by 0x5028F762: 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) ==180908== by 0x5023F246: 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) ==180908== by 0x294F94C7: 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) ==180908== by 0x2950D2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==180908== ==180908== ==180908== HEAP SUMMARY: ==180908== in use at exit: 2,203,191 bytes in 1,644 blocks ==180908== total heap usage: 95,921 allocs, 94,277 frees, 120,249,721 bytes allocated ==180908== ==180908== LEAK SUMMARY: ==180908== definitely lost: 0 bytes in 0 blocks ==180908== indirectly lost: 0 bytes in 0 blocks ==180908== possibly lost: 198,622 bytes in 101 blocks ==180908== still reachable: 2,004,537 bytes in 1,542 blocks ==180908== suppressed: 32 bytes in 1 blocks ==180908== Rerun with --leak-check=full to see details of leaked memory ==180908== ==180908== For lists of detected and suppressed errors, rerun with: -s ==180908== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9343 from 559) ================================================================================ 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.