!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_PascuetFernandez_2015_AlU__MO_596300673917_001 Supported species : Al U 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 = 892.6709848740063 Forces: 1 -2.97052819e+01 -4.25029085e+01 -5.28543234e+01 2 -3.50067925e+01 9.11469405e+01 -6.88979977e+01 3 4.11390710e+01 -6.73498192e+01 -4.58174892e+00 4 -3.28273256e+01 5.83862560e+01 3.04561431e+01 5 2.11480789e+01 -9.64625511e+01 8.41943414e+00 6 4.12709506e+01 -6.63030003e+00 -4.86210769e+01 7 -1.29344656e+00 -5.63155835e+01 -6.10151868e+01 8 -5.83345492e+01 -4.44144009e+01 1.19866465e+01 9 -2.40637862e+01 -3.51272332e+01 -7.27584025e+01 10 -6.84447654e+01 1.17506720e+02 -1.42807197e+02 11 -5.37613196e+01 -1.14762485e+02 4.09488077e+01 12 -5.65887149e+01 6.37847927e+01 1.85730451e+01 13 -7.01259484e+00 -7.20441511e+01 -1.97946728e+02 14 6.43116145e+01 4.67605971e+01 -5.08465100e+01 15 1.82706641e+02 -2.84175652e+01 7.17521259e+01 16 -2.66168469e+01 1.54661433e+02 1.45154654e+02 17 -8.81265607e+01 -5.81883318e+01 -3.55284323e+01 18 5.06711363e+01 9.39746582e+01 -4.49961529e+01 19 5.37753411e+01 -8.16147139e+01 6.33149815e+01 20 -5.43223314e+01 5.67001942e+01 5.98512696e+01 21 -9.16167319e+01 -7.49244316e+01 3.96764312e+01 22 1.28503527e+02 8.81108445e+01 4.19639969e+01 23 2.59042439e+01 -1.39850041e+01 3.93167890e+01 24 1.14827234e+01 2.54329311e+01 3.04068387e+01 25 -6.96637450e+01 -6.58790719e+01 -4.08774156e+01 26 4.97167897e+01 1.10912007e+02 -7.82448036e+01 27 6.30577545e+01 -1.48219546e+02 8.56395217e+01 28 -1.46803858e+02 1.01747931e+02 6.74495792e+01 29 -4.42158385e+01 -7.15067804e+01 1.62954262e+01 30 7.51994477e+01 6.86027205e+01 -2.20151668e+01 31 5.67883203e+01 -4.88500718e+01 6.82676516e+01 32 2.27288497e+01 4.94669233e+01 8.25178005e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1101.5158976817888 Forces: 1 -3.55213887e+01 -4.98927043e+01 -6.26207496e+01 2 -3.95500549e+01 1.07910018e+02 -8.17582833e+01 3 5.09077930e+01 -8.05931240e+01 -5.64058248e+00 4 -3.85158995e+01 7.08474462e+01 3.62726540e+01 5 2.24741866e+01 -1.12383157e+02 1.22575064e+01 6 4.95011588e+01 -8.90889630e+00 -5.81844731e+01 7 -5.22291879e+00 -6.19243898e+01 -6.87089681e+01 8 -6.86245666e+01 -5.30759406e+01 1.45211263e+01 9 -2.81359893e+01 -4.21475710e+01 -8.52136155e+01 10 -7.83780867e+01 1.38602749e+02 -1.67576136e+02 11 -6.48982296e+01 -1.39443030e+02 5.12727664e+01 12 -6.79495044e+01 7.46388589e+01 2.24036729e+01 13 -7.96345253e+00 -8.31471922e+01 -2.32028148e+02 14 7.70791699e+01 5.44614922e+01 -6.08423619e+01 15 2.14131874e+02 -3.30597169e+01 8.50820998e+01 16 -3.51558814e+01 1.82172967e+02 1.70656178e+02 17 -1.05123606e+02 -7.00676416e+01 -4.25848001e+01 18 6.29865301e+01 1.15440940e+02 -5.60776875e+01 19 6.47356235e+01 -9.72717581e+01 7.60932474e+01 20 -6.55371465e+01 6.79592791e+01 7.16485471e+01 21 -1.09401260e+02 -8.93389497e+01 4.48891713e+01 22 1.53193424e+02 1.04748377e+02 4.75134923e+01 23 3.07638256e+01 -1.68766029e+01 4.68680973e+01 24 1.32928839e+01 3.11838993e+01 3.51853885e+01 25 -8.01450689e+01 -7.86091330e+01 -5.16935097e+01 26 6.09573983e+01 1.30271245e+02 -9.33337020e+01 27 7.55444667e+01 -1.74312341e+02 1.00953282e+02 28 -1.73439976e+02 1.19052786e+02 8.07227549e+01 29 -5.30919122e+01 -8.59502812e+01 1.89229574e+01 30 9.08193433e+01 8.02507674e+01 -2.67609476e+01 31 6.48220343e+01 -5.68225396e+01 7.96046990e+01 32 2.54452297e+01 5.62841440e+01 9.81563240e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = U (Configuration in file "config-F-U.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1303.168447293834 Forces: 1 -4.51137005e+01 -4.86556342e+01 -5.33658181e+01 2 -2.02627603e+02 2.16045850e+02 -2.59925698e+02 3 -1.83824351e+02 -1.58777429e+02 1.64977368e+02 4 -6.36583326e+01 2.95117601e+01 4.31270580e+01 5 2.09531963e+02 -3.41254077e+02 -1.37807390e+02 6 4.05934070e+01 6.25681526e+01 -9.83995525e+01 7 4.56844223e+01 -8.97093690e+01 7.37883100e+01 8 1.66467497e+02 1.84963307e+02 9.09090661e+01 9 -6.21774900e+01 -2.86853397e+01 -6.07782111e+01 10 -1.49885264e+01 8.04323248e+01 -3.56622290e+01 11 -7.83787254e+00 -3.02169352e+01 6.77117097e+00 12 -5.39912838e+01 5.32126755e+01 -7.71885670e+00 13 -2.86696400e+01 -1.33524991e+02 -8.36542261e+01 14 3.52569543e+02 1.82513124e+02 -3.94199522e+02 15 9.73621279e+01 2.64939009e+01 -6.54345825e+01 16 -2.58235041e+02 4.46124883e+01 2.97968144e+02 17 -1.13654481e+02 -1.03586269e+02 -9.63118974e+01 18 -8.67146817e+01 3.00082282e+02 -9.88204566e+01 19 4.10931632e+01 -1.71861123e+02 1.89179024e+02 20 -1.55464141e+02 1.51026097e+02 7.18510143e+01 21 1.59946348e+02 -3.99060200e+02 -1.70007130e-01 22 2.59229412e+01 -5.75156240e+00 -2.39334746e-01 23 6.75336286e+01 -8.09005850e+01 6.37666317e+01 24 3.41925472e+01 9.49807416e+00 1.27210810e+02 25 -6.33804866e+01 -6.19242080e+01 -6.50734991e+01 26 -1.32469327e+01 1.13105135e+02 -1.97492715e+01 27 -4.78056574e+00 4.93414347e+01 7.52340737e+01 28 -4.53996057e+01 7.97493496e+01 9.50028675e+01 29 -1.09049373e+02 -1.49377612e+02 5.92697598e+01 30 2.15741888e+02 1.45507657e+02 3.40050608e+01 31 4.18551129e+01 2.58775807e+01 2.46033106e+01 32 1.43195208e+01 4.87441430e+01 5.96468836e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = U (Configuration in file "config-T-U.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1378.282787902109 Forces: 1 -4.78685751e+01 -5.10659645e+01 -5.33677825e+01 2 -2.00265835e+02 2.15688572e+02 -2.71478817e+02 3 -1.90158039e+02 -1.60421327e+02 1.69800491e+02 4 -6.78206889e+01 3.24295325e+01 4.66009898e+01 5 2.04900344e+02 -3.49439030e+02 -1.46236513e+02 6 4.65203689e+01 6.27187099e+01 -1.00156202e+02 7 5.03813226e+01 -8.95513122e+01 7.36580073e+01 8 1.75376597e+02 1.89183812e+02 9.59419508e+01 9 -6.47238273e+01 -2.84212428e+01 -6.52802465e+01 10 -1.58763044e+01 8.51548698e+01 -3.84082244e+01 11 -1.13914475e+01 -3.18710562e+01 9.91221381e+00 12 -5.87837353e+01 5.57464972e+01 -5.66657828e+00 13 -2.84927082e+01 -1.37193162e+02 -9.00918477e+01 14 3.51824218e+02 1.85773940e+02 -3.95426613e+02 15 1.02333432e+02 2.13549290e+01 -6.26408743e+01 16 -2.55311894e+02 4.59393685e+01 2.98443008e+02 17 -1.18622064e+02 -1.07748442e+02 -9.64665725e+01 18 -8.29854258e+01 2.97650017e+02 -1.02175382e+02 19 3.42138748e+01 -1.73331458e+02 1.92726297e+02 20 -1.58846447e+02 1.50834552e+02 7.44827703e+01 21 1.57019082e+02 -4.09179091e+02 -1.79302654e+00 22 2.86112644e+01 -3.44016520e+00 -3.15576741e+00 23 7.39927948e+01 -8.17822463e+01 6.61639069e+01 24 3.52382265e+01 1.79512137e+01 1.32992692e+02 25 -6.71635384e+01 -6.38597626e+01 -6.64234500e+01 26 -1.05170560e+01 1.20117856e+02 -2.02150597e+01 27 -1.10622396e+00 4.71411649e+01 7.78609740e+01 28 -4.76592872e+01 8.01165716e+01 9.69437933e+01 29 -1.07504024e+02 -1.46385082e+02 5.87896571e+01 30 2.18598109e+02 1.50705492e+02 3.35234720e+01 31 4.46330080e+01 2.41150811e+01 2.79737726e+01 32 1.14544796e+01 5.10671631e+01 6.31689607e+01 MIXED STRUCTURE (pbc=False)-- Species = Al U (Configuration in file "config-F-AlU.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1496.294779428883 Forces: 1 -9.63206682e+01 -1.67391051e+02 -1.92799342e+02 2 -1.35392648e+02 5.30822669e+01 -1.84293373e+02 3 1.85133002e+01 -2.72034730e+02 -1.57874476e+02 4 -2.60042457e+02 2.42616825e+02 -5.42984758e+01 5 6.67061253e+01 -1.74264680e+02 -9.80234069e+01 6 7.94337469e+01 6.58195546e+01 -8.73804029e+01 7 3.33408508e+01 -5.68754280e+01 7.83725980e+01 8 2.60360224e+02 5.48737508e+01 -7.36382692e+01 9 -7.95512102e+01 -1.72374700e+01 -5.62881935e+01 10 3.37796769e+01 5.22568571e+01 -4.47507405e+01 11 -1.09048553e+02 1.73537332e+01 -1.32224824e+02 12 -4.87214811e+01 5.70318154e+01 4.16306730e+00 13 7.51723516e+01 9.42169784e+01 -4.42145029e+01 14 2.85451803e+01 3.51585150e+01 -5.15010266e+01 15 1.18342524e+02 -1.20125678e+02 -1.09175018e+02 16 -1.75813435e+01 8.63674660e+01 -5.48357687e+01 17 -1.11471492e+02 -1.65305328e+02 2.10766900e+02 18 -1.32446640e+02 2.07102628e+02 3.24125479e+02 19 -4.27244141e+00 -5.83973574e+01 7.50033209e+01 20 -1.25086759e+02 -1.95348095e+02 1.04715638e+02 21 2.21324014e+02 -2.10213103e+02 7.02305426e+01 22 8.17515508e+01 3.75996391e+01 -9.81350738e+01 23 6.07426862e+01 -8.10451919e+01 5.80489057e+01 24 -8.94133065e+01 9.75766564e+00 8.64330150e+01 25 -1.28276148e+02 4.15602251e+01 -1.30443003e+02 26 -8.00624435e+01 2.09231296e+02 8.44324660e+01 27 1.84832689e+02 4.89890485e+01 1.30985753e+02 28 -7.23120722e+01 9.72571655e+01 5.48710991e+01 29 1.18587998e+02 -7.34536422e+01 1.09915265e+02 30 3.70271372e+01 1.35634810e+02 8.26062342e+01 31 4.02093110e+01 4.10671197e+00 5.51013069e+01 32 3.13302968e+01 4.16748016e+01 4.01043075e+01 MIXED STRUCTURE (pbc=True)-- Species = Al U (Configuration in file "config-T-AlU.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1515.6998980363087 Forces: 1 -6.86255542e+01 -1.38694741e+02 -3.50151784e+02 2 -1.15534500e+02 -3.92972763e+01 -2.10932251e+01 3 6.97600028e+01 -2.50196305e+02 -1.06035756e+02 4 -1.72097506e+02 3.71160098e+02 2.58610920e+00 5 1.04189288e+02 -7.07988889e+01 -3.28735468e+01 6 9.68717319e+00 1.29147548e+02 -3.52823344e+01 7 -1.21592296e+02 -8.80167254e+01 1.02024951e+02 8 2.86449860e+02 5.17538065e+01 -8.18053884e+01 9 -5.30617125e+01 9.57450624e+00 1.46547007e+01 10 -3.22513984e+00 -8.53045482e+01 4.89543667e+00 11 -1.18247377e+02 6.46122604e+01 -1.72852493e+02 12 -1.55424637e+01 -9.23583593e+01 6.43659726e+01 13 1.46604832e+02 1.26627730e+02 1.77785178e+01 14 1.84611232e+01 -3.22462866e+01 -1.33761833e+01 15 2.11744812e+01 -9.03249333e+01 -1.24508729e+02 16 1.97857104e+01 4.63580738e+01 -4.38355211e+01 17 -1.17382185e+02 -1.76456017e+02 2.79328908e+02 18 -1.26328369e+02 1.82133438e+02 3.94192486e+02 19 -8.09378467e+01 5.72350143e+01 -8.66933924e+00 20 -1.35617391e+02 -2.18832789e+02 5.48010049e+01 21 2.55761253e+02 -2.11008382e+02 1.01857758e+02 22 1.40171494e+01 -3.77335219e+01 -3.30000503e+01 23 5.47232110e+01 -5.45795449e+01 -4.66074262e+01 24 -1.75820411e+01 2.85586234e+01 -1.96105125e+01 25 -5.14487803e+00 -2.73796311e+01 -1.93551789e+02 26 -1.01321363e+02 2.17616585e+02 3.56533619e+01 27 1.73599443e+02 1.50405580e+02 -1.14582025e+02 28 -2.40521674e+01 2.20930064e+02 4.80780154e+01 29 1.64106951e+02 -7.95658513e+01 1.41511649e+02 30 -1.13196033e+01 1.68249201e+02 7.01100472e+01 31 -1.73006699e+02 -4.59023436e+01 8.70188924e+01 32 1.22298615e+02 -8.56663818e+01 -2.10217104e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==19443== Memcheck, a memory error detector ==19443== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==19443== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==19443== Command: python runner2.py MEAM_LAMMPS_PascuetFernandez_2015_AlU__MO_596300673917_001 ==19443== ==23667== Warning: invalid file descriptor 255988 in syscall close() ==23667== Warning: invalid file descriptor 255989 in syscall close() ==23667== Warning: invalid file descriptor 255990 in syscall close() ==23667== Warning: invalid file descriptor 255991 in syscall close() ==23667== Use --log-fd= to select an alternative log fd. ==23667== Warning: invalid file descriptor 255992 in syscall close() ==23667== Warning: invalid file descriptor 255993 in syscall close() ==19443== Mismatched free() / delete / delete [] ==19443== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==19443== by 0x119B7439C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x119A4754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x119A48C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x119A31DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x119A355CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x403FFF1E: 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) ==19443== by 0x40400E18: 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) ==19443== by 0x40405762: 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) ==19443== by 0x403B5246: 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) ==19443== by 0x20AF44C7: 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) ==19443== by 0x20B082E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==19443== Address 0x91c0ea20 is 0 bytes inside a block of size 1,024 alloc'd ==19443== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==19443== by 0x119B73B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x119A4754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x119A48C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x119A31DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x119A355CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x403FFF1E: 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) ==19443== by 0x40400E18: 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) ==19443== by 0x40405762: 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) ==19443== by 0x403B5246: 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) ==19443== by 0x20AF44C7: 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) ==19443== by 0x20B082E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==19443== ==19443== Mismatched free() / delete / delete [] ==19443== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==19443== by 0x119B6EDCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x119A47578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x119A48C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x119A31DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x119A355CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x403FFF1E: 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) ==19443== by 0x40400E18: 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) ==19443== by 0x40405762: 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) ==19443== by 0x403B5246: 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) ==19443== by 0x20AF44C7: 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) ==19443== by 0x20B082E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==19443== Address 0x91c0fcb0 is 0 bytes inside a block of size 1,024 alloc'd ==19443== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==19443== by 0x119B6EBAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x119A47578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x119A48C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x119A31DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x119A355CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-cfa779f5-e529-43b4-b3d3-5f76dba6bdcc-007-263b23bc-3510-4db6-bf9a-73949437c1f3/VC_561022993723_003-and-MO_596300673917_001-1657578716/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==19443== by 0x403FFF1E: 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) ==19443== by 0x40400E18: 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) ==19443== by 0x40405762: 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) ==19443== by 0x403B5246: 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) ==19443== by 0x20AF44C7: 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) ==19443== by 0x20B082E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==19443== ==19443== ==19443== HEAP SUMMARY: ==19443== in use at exit: 2,203,207 bytes in 1,644 blocks ==19443== total heap usage: 96,726 allocs, 95,082 frees, 120,374,381 bytes allocated ==19443== ==19443== LEAK SUMMARY: ==19443== definitely lost: 0 bytes in 0 blocks ==19443== indirectly lost: 0 bytes in 0 blocks ==19443== possibly lost: 198,622 bytes in 101 blocks ==19443== still reachable: 2,004,553 bytes in 1,542 blocks ==19443== suppressed: 32 bytes in 1 blocks ==19443== Rerun with --leak-check=full to see details of leaked memory ==19443== ==19443== For lists of detected and suppressed errors, rerun with: -s ==19443== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9252 from 555) ================================================================================ To pass this verification check the number of bytes that are "definitely lost" or "indirectly lost" must be zero. NOTE that Valgrind will typically report non-zero "possibly lost" bytes due to Python's internal memory allocation and garbage collection that it does not monitor. Full Valgrind output written to auxiliary file "valgrind.out" Grade: P Comment: No memory leak detected.