!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_JeongParkDo_2018_PdAl__MO_616482358807_001 Supported species : Al Pd random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 81.7279473766768 Forces: 1 -4.14383670e+00 -9.14143555e+00 -9.45256633e+00 2 -4.45266034e+00 6.28396472e+00 -9.56192445e+00 3 4.38365977e+00 -1.65623398e+01 -7.07411893e+00 4 -1.04069671e+01 6.74890891e+00 3.14907809e+00 5 -1.75363377e+00 -1.53625023e+01 -3.97830414e+00 6 1.03081229e+01 5.44449439e+00 -1.06311085e+01 7 5.74578318e+00 -2.49827763e+01 -1.74281722e+01 8 -9.58145094e+00 -8.82057403e+00 -2.35460515e+00 9 -9.50698533e+00 -7.47403523e+00 -1.52537786e+01 10 -8.15833073e+00 2.22153309e+01 -2.78277057e+01 11 -6.00347638e+00 -1.83447699e+01 2.37122972e+00 12 -1.21482154e+01 1.60139301e+01 2.28443942e+00 13 -2.23420744e+00 -7.32804011e+00 -3.22320625e+01 14 7.71531855e+00 1.04174291e+01 -7.25562333e+00 15 2.95497639e+01 -6.47554889e+00 5.09154637e+00 16 1.32094638e+01 2.12288598e+01 1.27994174e+01 17 -1.50968476e+01 -8.69393634e+00 -3.78681622e+00 18 4.42846751e+00 9.48669172e+00 8.22373637e+00 19 6.80882378e+00 -9.16841549e+00 9.07237128e+00 20 -6.64260660e+00 8.15849070e+00 8.46207674e+00 21 -1.24293365e+01 -1.49762946e+01 4.34625261e+00 22 2.33064761e+01 2.15841621e+01 1.72635940e+01 23 1.21812674e+01 -7.39593568e+00 7.20676571e+00 24 -7.97780234e+00 8.13168345e+00 8.49534450e+00 25 -1.14267259e+01 -6.52042382e+00 5.71012508e+00 26 -6.55273356e+00 1.84225823e+01 -3.84545180e+00 27 9.42523344e+00 -2.96087604e+01 1.11535080e+01 28 -2.49373131e+01 2.16865495e+01 8.44888692e+00 29 -5.01348728e+00 -8.00737079e+00 5.68585712e+00 30 9.28678078e+00 1.45595262e+01 3.86335822e+00 31 1.44980669e+01 -7.39796886e+00 1.05637652e+01 32 7.61938912e+00 1.58785240e+01 1.64908851e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 81.7279473766768 Forces: 1 -4.14383670e+00 -9.14143555e+00 -9.45256633e+00 2 -4.45266034e+00 6.28396472e+00 -9.56192445e+00 3 4.38365977e+00 -1.65623398e+01 -7.07411893e+00 4 -1.04069671e+01 6.74890891e+00 3.14907809e+00 5 -1.75363377e+00 -1.53625023e+01 -3.97830414e+00 6 1.03081229e+01 5.44449439e+00 -1.06311085e+01 7 5.74578318e+00 -2.49827763e+01 -1.74281722e+01 8 -9.58145094e+00 -8.82057403e+00 -2.35460515e+00 9 -9.50698533e+00 -7.47403523e+00 -1.52537786e+01 10 -8.15833073e+00 2.22153309e+01 -2.78277057e+01 11 -6.00347638e+00 -1.83447699e+01 2.37122972e+00 12 -1.21482154e+01 1.60139301e+01 2.28443942e+00 13 -2.23420744e+00 -7.32804011e+00 -3.22320625e+01 14 7.71531855e+00 1.04174291e+01 -7.25562333e+00 15 2.95497639e+01 -6.47554889e+00 5.09154637e+00 16 1.32094638e+01 2.12288598e+01 1.27994174e+01 17 -1.50968476e+01 -8.69393634e+00 -3.78681622e+00 18 4.42846751e+00 9.48669172e+00 8.22373637e+00 19 6.80882378e+00 -9.16841549e+00 9.07237128e+00 20 -6.64260660e+00 8.15849070e+00 8.46207674e+00 21 -1.24293365e+01 -1.49762946e+01 4.34625261e+00 22 2.33064761e+01 2.15841621e+01 1.72635940e+01 23 1.21812674e+01 -7.39593568e+00 7.20676571e+00 24 -7.97780234e+00 8.13168345e+00 8.49534450e+00 25 -1.14267259e+01 -6.52042382e+00 5.71012508e+00 26 -6.55273356e+00 1.84225823e+01 -3.84545180e+00 27 9.42523344e+00 -2.96087604e+01 1.11535080e+01 28 -2.49373131e+01 2.16865495e+01 8.44888692e+00 29 -5.01348728e+00 -8.00737079e+00 5.68585712e+00 30 9.28678078e+00 1.45595262e+01 3.86335822e+00 31 1.44980669e+01 -7.39796886e+00 1.05637652e+01 32 7.61938912e+00 1.58785240e+01 1.64908851e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Pd (Configuration in file "config-F-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 255.87733208259533 Forces: 1 -1.33935669e+01 -1.13963398e+01 -1.99799126e+01 2 -1.94451638e+00 -1.18628350e+01 -2.29713940e+01 3 -4.62831354e+00 -1.16112039e+01 -2.86761056e+01 4 -2.36838677e+01 2.94221185e+01 -1.70650350e+01 5 -8.53041574e-01 -3.29525120e+01 -2.15843667e+01 6 3.36870271e+01 -1.13330854e+00 -3.86000252e+01 7 2.88729849e+01 -4.58361346e+01 7.17340116e+00 8 -3.13964875e+01 1.40925361e+01 4.59464353e+01 9 -3.44045337e+01 5.22480030e+00 -1.07540342e+01 10 1.10164407e+01 2.47291211e+01 -5.64512709e+01 11 1.43925788e+01 -7.90063208e+01 2.43386028e+01 12 -6.63394249e+01 4.11343622e+01 3.65045929e+01 13 -2.04956519e+01 -2.67337112e+01 -5.38752553e+01 14 7.06977619e+01 1.03367133e+02 -8.34236254e+01 15 1.19046141e+01 -7.89379134e+01 5.86300174e+01 16 -7.65017196e+00 6.74107423e+01 2.00767567e+01 17 -1.91654543e+01 -2.43396590e+01 2.70820715e+01 18 -1.50637210e+01 -6.19017941e+01 -6.25076055e+01 19 -7.62885326e+00 -1.17729240e+01 4.74511033e+00 20 -1.22062674e+01 -2.58501627e+01 3.20957237e+01 21 4.02872142e+01 -1.81694956e+01 3.01780086e+01 22 5.68006077e+00 7.94172525e+00 -5.46666319e+00 23 1.31368980e+00 -1.02195565e+01 1.15184698e+01 24 1.39379925e+01 -5.15686302e+01 4.00191244e+01 25 -4.58831387e+01 6.79876794e+00 -3.78852380e+01 26 1.91703310e+01 5.39443578e+01 -2.25429846e+01 27 -1.71956646e+01 4.37895908e+01 8.45211782e+01 28 -3.10533268e+01 2.24543663e+01 2.63281719e+01 29 -3.86712764e+01 1.86057592e+00 -8.16249582e+01 30 2.18633854e+01 4.89087315e+01 2.11050312e+01 31 1.18404191e+02 1.84444224e+01 8.41390351e+01 32 4.29006125e-01 1.37691499e+01 9.00674343e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pd (Configuration in file "config-T-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 255.87733208259533 Forces: 1 -1.33935669e+01 -1.13963398e+01 -1.99799126e+01 2 -1.94451638e+00 -1.18628350e+01 -2.29713940e+01 3 -4.62831354e+00 -1.16112039e+01 -2.86761056e+01 4 -2.36838677e+01 2.94221185e+01 -1.70650350e+01 5 -8.53041574e-01 -3.29525120e+01 -2.15843667e+01 6 3.36870271e+01 -1.13330854e+00 -3.86000252e+01 7 2.88729849e+01 -4.58361346e+01 7.17340116e+00 8 -3.13964875e+01 1.40925361e+01 4.59464353e+01 9 -3.44045337e+01 5.22480030e+00 -1.07540342e+01 10 1.10164407e+01 2.47291211e+01 -5.64512709e+01 11 1.43925788e+01 -7.90063208e+01 2.43386028e+01 12 -6.63394249e+01 4.11343622e+01 3.65045929e+01 13 -2.04956519e+01 -2.67337112e+01 -5.38752553e+01 14 7.06977619e+01 1.03367133e+02 -8.34236254e+01 15 1.19046141e+01 -7.89379134e+01 5.86300174e+01 16 -7.65017196e+00 6.74107423e+01 2.00767567e+01 17 -1.91654543e+01 -2.43396590e+01 2.70820715e+01 18 -1.50637210e+01 -6.19017941e+01 -6.25076055e+01 19 -7.62885326e+00 -1.17729240e+01 4.74511033e+00 20 -1.22062674e+01 -2.58501627e+01 3.20957237e+01 21 4.02872142e+01 -1.81694956e+01 3.01780086e+01 22 5.68006077e+00 7.94172525e+00 -5.46666319e+00 23 1.31368980e+00 -1.02195565e+01 1.15184698e+01 24 1.39379925e+01 -5.15686302e+01 4.00191244e+01 25 -4.58831387e+01 6.79876794e+00 -3.78852380e+01 26 1.91703310e+01 5.39443578e+01 -2.25429846e+01 27 -1.71956646e+01 4.37895908e+01 8.45211782e+01 28 -3.10533268e+01 2.24543663e+01 2.63281719e+01 29 -3.86712764e+01 1.86057592e+00 -8.16249582e+01 30 2.18633854e+01 4.89087315e+01 2.11050312e+01 31 1.18404191e+02 1.84444224e+01 8.41390351e+01 32 4.29006125e-01 1.37691499e+01 9.00674343e+00 MIXED STRUCTURE (pbc=False)-- Species = Al Pd (Configuration in file "config-F-AlPd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 182.12601082916328 Forces: 1 -1.00816071e+02 -3.80079689e+01 -9.48913113e+01 2 2.75382529e+01 7.24959951e+01 -4.52478335e+01 3 1.90185847e+01 -7.36632168e+01 7.92111618e+01 4 -3.66696783e+01 2.57507043e+01 2.02232983e+01 5 4.52188803e+01 -3.37962773e+01 -3.60279781e+01 6 6.64486842e+00 4.32337370e+00 -2.15135662e+01 7 9.57855802e+00 -1.61385790e+01 6.11506102e+00 8 6.59609132e+01 2.32932644e+01 -4.65704357e+01 9 -1.02257724e+01 -6.55826331e-01 -1.21353447e+01 10 -9.52879891e+00 1.24779865e+01 -1.52002666e+01 11 -7.98679493e+00 2.83134651e+01 -5.23035240e+01 12 -1.71577089e+01 1.07431891e+01 2.14696023e+00 13 2.18829849e+00 -6.77489743e+00 -1.36555882e+01 14 1.62071123e+01 1.33063586e+01 -2.23825083e+01 15 1.66641921e+01 3.60027184e-01 1.66068412e+01 16 -2.35271564e+00 1.96285138e+01 1.60012930e+01 17 -1.64402325e+01 -1.50409553e+01 3.43861769e+00 18 -7.87297347e+01 1.03169726e+01 7.94055627e+01 19 -1.89636530e+00 -5.54377676e+00 1.78009702e+01 20 -1.46415945e+01 -2.41591179e+01 2.31148129e+01 21 7.05117093e+01 -7.83968547e+01 2.17519181e+01 22 1.89548736e+01 2.18361745e+00 -2.08336728e+01 23 9.97658612e+00 -1.52546975e+01 1.06047981e+01 24 -2.18126114e+01 5.46991488e+00 1.98264057e+01 25 -3.79780566e+01 6.64544080e+00 -1.57981533e+01 26 9.86120085e+00 4.86047123e+01 2.57961933e+01 27 2.65235211e+01 5.94830948e+00 1.88371893e+01 28 -1.42957852e+01 1.26591514e+01 1.17767149e+01 29 1.10551982e+01 -1.01512334e+01 9.95312003e+00 30 8.08962172e+00 1.17642653e+01 -3.10352322e+00 31 7.54295280e+00 -1.12248788e+00 1.18126466e+01 32 -1.00340410e+00 4.42062712e+00 5.24014125e+00 MIXED STRUCTURE (pbc=True)-- Species = Al Pd (Configuration in file "config-T-AlPd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 244.21959353461696 Forces: 1 -9.77807660e+01 -3.08026859e+01 -8.34308081e+01 2 2.94235842e+01 5.76204263e+01 -2.23454685e+01 3 1.21985466e+01 -4.22002071e+01 8.55687963e+01 4 -2.57805620e+01 2.47719636e+01 1.90559275e+01 5 4.42286395e+01 -4.01674785e+00 -3.29453420e+01 6 8.97388992e-02 4.91505875e+00 -2.08463593e+01 7 5.35220227e+00 -5.95519658e+00 1.04345349e+01 8 6.72409239e+01 2.21010391e+01 -4.65468235e+01 9 -8.41440140e+00 2.63191382e+00 -3.95206765e+00 10 -5.82721622e+00 -2.61680483e+01 -1.90991384e+01 11 -6.05568582e+00 2.54496813e+01 -5.16786430e+01 12 -1.44197900e+01 2.59632342e+00 3.21692354e+00 13 8.75516700e+00 -4.72941287e+00 -4.39138878e-01 14 2.48111744e+01 -4.09782391e+00 -2.17038592e+01 15 6.77544024e+00 2.87666592e-01 1.63259646e+01 16 -4.39981334e+00 2.38614378e+00 1.72776031e+01 17 -1.17920595e+01 -1.07120805e+01 2.62820387e+00 18 -7.67867525e+01 1.30180545e+01 7.99128138e+01 19 -5.13295569e+00 1.13592164e+01 7.91534699e+00 20 -9.10218686e+00 -2.19303807e+01 1.39748694e+01 21 7.05143644e+01 -7.09066285e+01 2.19849831e+01 22 8.44279132e+00 4.95649465e+00 -2.36804822e+01 23 5.16342626e+00 -1.13593108e+01 9.65645618e+00 24 -2.26036251e+01 6.40919199e+00 1.63243589e+01 25 -3.00591243e+01 2.83487852e+00 -1.87842930e+01 26 7.08751705e+00 3.47238231e+01 2.73869456e+01 27 2.38048018e+01 1.42881665e+01 -1.25898557e+01 28 -3.82886664e+00 1.16527377e+01 1.28837318e+01 29 9.41332051e+00 -7.92619118e+00 1.04854164e+01 30 -5.01140229e-01 5.64450482e+00 -5.77646853e+00 31 -8.27359691e+00 -2.09139270e+00 1.02302047e+01 32 7.45690409e+00 -4.75117798e+00 -1.44433290e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==192326== Memcheck, a memory error detector ==192326== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==192326== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==192326== Command: python runner2.py MEAM_LAMMPS_JeongParkDo_2018_PdAl__MO_616482358807_001 ==192326== ==193997== Warning: invalid file descriptor 255988 in syscall close() ==193997== Warning: invalid file descriptor 255989 in syscall close() ==193997== Warning: invalid file descriptor 255990 in syscall close() ==193997== Warning: invalid file descriptor 255991 in syscall close() ==193997== Use --log-fd= to select an alternative log fd. ==193997== Warning: invalid file descriptor 255992 in syscall close() ==193997== Warning: invalid file descriptor 255993 in syscall close() ==192326== Mismatched free() / delete / delete [] ==192326== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==192326== by 0x3A8ED39C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x3A7C054D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x3A7C1C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x3A7AADE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x3A7AE5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x2B409F1E: 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) ==192326== by 0x2B40AE18: 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) ==192326== by 0x2B40F762: 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) ==192326== by 0x2B3BF246: 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) ==192326== by 0x290934C7: 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) ==192326== by 0x290A72E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==192326== Address 0x91c0e390 is 0 bytes inside a block of size 1,024 alloc'd ==192326== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==192326== by 0x3A8ECB21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x3A7C054D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x3A7C1C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x3A7AADE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x3A7AE5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x2B409F1E: 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) ==192326== by 0x2B40AE18: 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) ==192326== by 0x2B40F762: 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) ==192326== by 0x2B3BF246: 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) ==192326== by 0x290934C7: 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) ==192326== by 0x290A72E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==192326== ==192326== Mismatched free() / delete / delete [] ==192326== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==192326== by 0x3A8E7DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x3A7C0578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x3A7C1C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x3A7AADE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x3A7AE5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x2B409F1E: 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) ==192326== by 0x2B40AE18: 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) ==192326== by 0x2B40F762: 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) ==192326== by 0x2B3BF246: 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) ==192326== by 0x290934C7: 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) ==192326== by 0x290A72E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==192326== Address 0x91c0f620 is 0 bytes inside a block of size 1,024 alloc'd ==192326== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==192326== by 0x3A8E7BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x3A7C0578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x3A7C1C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x3A7AADE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x3A7AE5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-564250b7-c4e3-48de-bc1a-8a19b4065981-007-65cc9f6d-d102-460b-af49-5541b9b3086c/VC_561022993723_003-and-MO_616482358807_001-1652903157/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==192326== by 0x2B409F1E: 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) ==192326== by 0x2B40AE18: 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) ==192326== by 0x2B40F762: 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) ==192326== by 0x2B3BF246: 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) ==192326== by 0x290934C7: 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) ==192326== by 0x290A72E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==192326== ==192326== ==192326== HEAP SUMMARY: ==192326== in use at exit: 2,203,207 bytes in 1,644 blocks ==192326== total heap usage: 95,542 allocs, 93,898 frees, 120,197,973 bytes allocated ==192326== ==192326== LEAK SUMMARY: ==192326== definitely lost: 0 bytes in 0 blocks ==192326== indirectly lost: 0 bytes in 0 blocks ==192326== possibly lost: 198,622 bytes in 101 blocks ==192326== still reachable: 2,004,553 bytes in 1,542 blocks ==192326== suppressed: 32 bytes in 1 blocks ==192326== Rerun with --leak-check=full to see details of leaked memory ==192326== ==192326== For lists of detected and suppressed errors, rerun with: -s ==192326== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9301 from 546) ================================================================================ To pass this verification check the number of bytes that are "definitely lost" or "indirectly lost" must be zero. NOTE that Valgrind will typically report non-zero "possibly lost" bytes due to Python's internal memory allocation and garbage collection that it does not monitor. Full Valgrind output written to auxiliary file "valgrind.out" Grade: P Comment: No memory leak detected.