!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimSeolJi_2017_PtMo__MO_831380044253_001 Supported species : Mo Pt random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Mo (Configuration in file "config-F-Mo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 810.183246794333 Forces: 1 -2.48542510e+01 -5.34700172e+01 -6.19591250e+01 2 -4.44909960e+01 4.48523528e+01 -4.17317478e+01 3 5.90362029e+01 -6.71448858e+01 -4.98379415e+01 4 -2.38893304e+01 7.83801615e+01 3.91181322e+01 5 -4.47164632e+00 -9.05302840e+01 -1.20044898e+01 6 4.98667519e+01 1.89009918e+01 -5.09176311e+01 7 4.14374330e+01 -1.08884864e+02 -9.73971552e+01 8 -4.54979820e+01 1.22601986e+01 5.04580327e+00 9 -4.64643561e+01 -7.35417786e+01 -8.55361861e+01 10 -4.01232679e+01 1.99455299e+02 -1.87170793e+02 11 -2.21224951e+02 -2.53156242e+02 1.20750954e+02 12 -8.51010214e+01 7.80519693e+01 5.14555658e+01 13 1.59129156e+02 -1.32849247e+02 -2.43349712e+02 14 4.94276002e+01 3.94356712e+01 -4.98890775e+01 15 5.46004699e+01 -8.45499409e+01 -9.78584806e+01 16 5.20332142e+01 2.60428366e+02 1.39104040e+02 17 -1.04574597e+02 -5.29719348e+01 2.33119404e-01 18 4.04895320e+01 1.14831890e+02 -5.60286230e+01 19 2.26438747e+01 -1.07053904e+02 6.65618091e+01 20 -5.37267460e+01 3.39876052e+01 4.49904402e+01 21 -1.01675029e+02 -8.84826646e+01 5.20835499e+01 22 1.45934723e+02 1.06003318e+02 6.90044300e+01 23 2.50059618e+01 -1.98874956e+01 5.97363141e+01 24 4.11312635e+01 3.74913829e+01 4.54618917e+01 25 -3.45584063e+01 -3.94135481e+01 -2.30328936e+01 26 -6.32061458e+01 1.34478961e+02 -4.25318703e+01 27 3.44422450e+01 -1.16587360e+02 6.41782950e+01 28 -1.23369975e+02 9.27017101e+01 3.02206379e+01 29 1.39844185e+01 -1.45295692e+02 3.96982485e+01 30 1.25455662e+02 1.43896357e+02 1.04198669e+02 31 5.29680084e+01 -3.47116215e+01 4.12361235e+01 32 4.96421843e+01 7.33752464e+01 1.26167703e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mo (Configuration in file "config-T-Mo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 810.183246794333 Forces: 1 -2.48542510e+01 -5.34700172e+01 -6.19591250e+01 2 -4.44909960e+01 4.48523528e+01 -4.17317478e+01 3 5.90362029e+01 -6.71448858e+01 -4.98379415e+01 4 -2.38893304e+01 7.83801615e+01 3.91181322e+01 5 -4.47164632e+00 -9.05302840e+01 -1.20044898e+01 6 4.98667519e+01 1.89009918e+01 -5.09176311e+01 7 4.14374330e+01 -1.08884864e+02 -9.73971552e+01 8 -4.54979820e+01 1.22601986e+01 5.04580327e+00 9 -4.64643561e+01 -7.35417786e+01 -8.55361861e+01 10 -4.01232679e+01 1.99455299e+02 -1.87170793e+02 11 -2.21224951e+02 -2.53156242e+02 1.20750954e+02 12 -8.51010214e+01 7.80519693e+01 5.14555658e+01 13 1.59129156e+02 -1.32849247e+02 -2.43349712e+02 14 4.94276002e+01 3.94356712e+01 -4.98890775e+01 15 5.46004699e+01 -8.45499409e+01 -9.78584806e+01 16 5.20332142e+01 2.60428366e+02 1.39104040e+02 17 -1.04574597e+02 -5.29719348e+01 2.33119404e-01 18 4.04895320e+01 1.14831890e+02 -5.60286230e+01 19 2.26438747e+01 -1.07053904e+02 6.65618091e+01 20 -5.37267460e+01 3.39876052e+01 4.49904402e+01 21 -1.01675029e+02 -8.84826646e+01 5.20835499e+01 22 1.45934723e+02 1.06003318e+02 6.90044300e+01 23 2.50059618e+01 -1.98874956e+01 5.97363141e+01 24 4.11312635e+01 3.74913829e+01 4.54618917e+01 25 -3.45584063e+01 -3.94135481e+01 -2.30328936e+01 26 -6.32061458e+01 1.34478961e+02 -4.25318703e+01 27 3.44422450e+01 -1.16587360e+02 6.41782950e+01 28 -1.23369975e+02 9.27017101e+01 3.02206379e+01 29 1.39844185e+01 -1.45295692e+02 3.96982485e+01 30 1.25455662e+02 1.43896357e+02 1.04198669e+02 31 5.29680084e+01 -3.47116215e+01 4.12361235e+01 32 4.96421843e+01 7.33752464e+01 1.26167703e+02 MONOATOMIC STRUCTURE (pbc=False)-- Species = Pt (Configuration in file "config-F-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 388.8853825274744 Forces: 1 -4.98848532e+01 -5.87427672e+00 -3.13374542e+01 2 -6.78677151e+01 -2.12213967e+01 -1.53549353e+02 3 3.96403798e+01 -5.41737755e+01 3.73161852e+01 4 -1.01840380e+02 -3.07778549e+01 4.14622713e+01 5 1.62239396e+01 -5.73316206e+01 -3.70293719e+01 6 3.45641512e+01 -3.03691260e+00 -3.58961646e+01 7 9.29983835e+00 -1.23170640e+01 5.16718997e-01 8 8.56997543e+01 -7.23224008e+01 5.95412052e+01 9 -4.46113144e+01 4.19771458e+00 -4.08884877e+01 10 -7.45265311e+01 1.46150815e+02 -3.67718489e+01 11 -2.28135526e+01 8.75022807e+01 9.09188271e+00 12 -6.72355691e+01 1.38306192e+02 -1.50514392e+02 13 7.80030031e+01 -9.46764964e+01 -4.04891378e+01 14 4.91711932e+01 2.16025240e+01 -2.28822103e+01 15 4.68548461e+01 2.84615557e+01 1.55061158e+01 16 1.65188360e+00 5.34820834e+01 2.55401937e+01 17 -6.80685857e+01 -2.09072109e+01 -6.58064871e+01 18 -3.46644896e+01 -6.94452380e+01 2.34633314e+01 19 2.56506678e+01 -3.90740620e+01 8.48757163e+01 20 -3.73030463e+01 3.62158994e+01 3.45337195e+01 21 5.20324452e+01 -3.88749316e+01 -3.50752871e+01 22 1.97700082e+01 -2.12872889e+01 -2.50412691e+01 23 1.06026757e+01 -8.59808423e+00 1.33906939e+01 24 3.36057258e+01 -4.95013970e+01 3.06613742e+01 25 -2.57541862e+01 -1.88806270e+02 8.28564557e+01 26 8.95189496e+01 9.20424805e+01 2.03678742e+00 27 -4.71121604e+01 6.21903601e+01 6.21807407e+01 28 -6.79091808e+01 2.86073447e+01 8.57591129e+01 29 7.76967942e+01 4.06829343e+01 2.32891656e+01 30 4.58552945e+01 1.13180667e+01 -3.43966675e+01 31 2.49052717e+01 2.23166163e+01 3.40106627e+01 32 -3.11552579e+01 1.51494131e+01 4.36457978e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pt (Configuration in file "config-T-Pt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 388.8853825274744 Forces: 1 -4.98848532e+01 -5.87427672e+00 -3.13374542e+01 2 -6.78677151e+01 -2.12213967e+01 -1.53549353e+02 3 3.96403798e+01 -5.41737755e+01 3.73161852e+01 4 -1.01840380e+02 -3.07778549e+01 4.14622713e+01 5 1.62239396e+01 -5.73316206e+01 -3.70293719e+01 6 3.45641512e+01 -3.03691260e+00 -3.58961646e+01 7 9.29983835e+00 -1.23170640e+01 5.16718997e-01 8 8.56997543e+01 -7.23224008e+01 5.95412052e+01 9 -4.46113144e+01 4.19771458e+00 -4.08884877e+01 10 -7.45265311e+01 1.46150815e+02 -3.67718489e+01 11 -2.28135526e+01 8.75022807e+01 9.09188271e+00 12 -6.72355691e+01 1.38306192e+02 -1.50514392e+02 13 7.80030031e+01 -9.46764964e+01 -4.04891378e+01 14 4.91711932e+01 2.16025240e+01 -2.28822103e+01 15 4.68548461e+01 2.84615557e+01 1.55061158e+01 16 1.65188360e+00 5.34820834e+01 2.55401937e+01 17 -6.80685857e+01 -2.09072109e+01 -6.58064871e+01 18 -3.46644896e+01 -6.94452380e+01 2.34633314e+01 19 2.56506678e+01 -3.90740620e+01 8.48757163e+01 20 -3.73030463e+01 3.62158994e+01 3.45337195e+01 21 5.20324452e+01 -3.88749316e+01 -3.50752871e+01 22 1.97700082e+01 -2.12872889e+01 -2.50412691e+01 23 1.06026757e+01 -8.59808423e+00 1.33906939e+01 24 3.36057258e+01 -4.95013970e+01 3.06613742e+01 25 -2.57541862e+01 -1.88806270e+02 8.28564557e+01 26 8.95189496e+01 9.20424805e+01 2.03678742e+00 27 -4.71121604e+01 6.21903601e+01 6.21807407e+01 28 -6.79091808e+01 2.86073447e+01 8.57591129e+01 29 7.76967942e+01 4.06829343e+01 2.32891656e+01 30 4.58552945e+01 1.13180667e+01 -3.43966675e+01 31 2.49052717e+01 2.23166163e+01 3.40106627e+01 32 -3.11552579e+01 1.51494131e+01 4.36457978e+01 MIXED STRUCTURE (pbc=False)-- Species = Mo Pt (Configuration in file "config-F-MoPt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 828.6826497906442 Forces: 1 -4.46600053e+01 -6.27186540e+01 -3.45066502e+01 2 -8.45300944e+01 4.30427221e+01 -9.12030079e+01 3 -8.24331500e+01 -2.36255561e+02 -1.75280500e+01 4 -1.36910948e+02 5.84248884e+01 -2.42791869e+02 5 3.26402819e+01 -5.37726484e+01 -8.85294577e+01 6 1.06448014e+02 -5.51217153e+01 -5.85575903e+00 7 9.47366697e+00 -2.36581604e+01 2.78515188e+00 8 2.70365233e+02 -3.81068294e+01 -4.37763573e+01 9 -5.66255380e+01 -6.31942204e+00 -3.71863842e+01 10 3.74922174e+01 3.23050414e+01 -5.64764538e+01 11 -1.28776267e+02 6.38131319e+01 -8.01625670e+01 12 -5.02859712e+01 3.56738431e+01 4.00410755e+01 13 -3.89979057e+01 7.68787339e+01 -4.64406077e+01 14 8.38880854e+01 3.46484957e+01 -7.22637046e+01 15 6.08226758e+01 -8.44600536e+01 -9.19614566e+01 16 -5.88394786e+01 4.83035664e+01 4.58035375e+01 17 -2.30314227e+02 -2.20903763e+02 1.17787533e+02 18 9.63318549e+01 1.69126208e+02 1.31491490e+02 19 2.61166894e+01 -8.44356776e+01 8.92897307e+01 20 -9.47687948e+01 1.44788650e+01 4.88250662e+01 21 1.19922336e+02 -4.60556638e+01 -4.51890505e+01 22 9.24267188e+01 8.95613718e+01 -1.34149539e+02 23 6.69636284e+01 -1.33884618e+02 1.09844579e+02 24 -7.91172311e+01 5.27745341e+01 1.04780089e+02 25 -8.43275401e+01 -7.62495640e+01 -2.79461114e+01 26 1.17421848e+01 1.90748714e+02 8.33874943e+01 27 7.44416016e+01 1.96300444e+01 6.86607225e+01 28 -6.10582335e+01 8.45940901e+01 7.78781615e+01 29 1.37467854e+02 1.08380896e+01 1.13891027e+02 30 2.18073950e+01 1.13371865e+02 9.15088172e+00 31 1.30169509e+01 -4.84518400e+01 5.09109914e+01 32 -2.97220043e+01 3.21799657e+01 2.14394948e+01 MIXED STRUCTURE (pbc=True)-- Species = Mo Pt (Configuration in file "config-T-MoPt.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1058.3551658175518 Forces: 1 -3.70484071e+01 -6.93032966e+01 -1.08453860e+02 2 -6.90527055e+01 -8.22883820e+00 -3.86569574e+01 3 -8.49932456e+01 -1.14109570e+02 -2.96033932e-01 4 -1.14783971e+02 1.63860677e+02 -2.23148328e+02 5 7.03754359e+01 2.28727554e+01 -4.27024593e+01 6 1.72659139e+02 -1.35563083e+02 3.79324812e+01 7 -8.80524217e+01 7.68842463e+00 -1.59181953e+01 8 2.70238437e+02 -4.46536882e+01 -5.37471016e+01 9 -6.38828929e+01 5.04263634e+01 6.06675378e+00 10 1.81615000e+01 -9.38130700e+01 -5.19992339e+01 11 -1.43044150e+02 1.16607994e+02 -5.18945875e+01 12 5.81965609e+00 -9.07320832e+01 1.92987397e+01 13 -1.24254217e+02 1.86591557e+02 -1.36201118e+01 14 8.99728640e+01 -2.01476579e+00 -7.64071728e+01 15 1.94648992e+01 -1.01428530e+02 -8.92576534e+01 16 -4.04060004e+01 -4.66776915e+01 3.89549491e+01 17 -2.29449395e+02 -2.23098194e+02 1.97816411e+02 18 1.25081065e+02 2.29013145e+02 1.47662611e+02 19 1.97945202e+01 -1.02325093e+02 1.19891983e+02 20 -1.75435582e+02 -4.65153940e+01 7.77896860e+00 21 1.38947603e+02 -4.17128041e+01 -5.58431850e+01 22 1.09663710e+02 7.55249632e+01 -1.62966118e+02 23 1.20212613e+02 -1.73946680e+02 6.67692411e+01 24 -2.14746278e+02 1.15134579e+02 1.02893401e+02 25 -5.19100666e+01 -6.16106605e+01 -3.83102752e+01 26 -6.57675697e+00 1.39479170e+02 8.64476099e+01 27 2.00173043e+02 1.28611494e+02 -2.58265489e+01 28 5.55255183e+01 1.14651574e+02 7.62953962e+01 29 1.36487622e+02 1.13548431e+01 1.30059503e+02 30 -1.80641902e+01 1.14541851e+02 -1.11417056e+01 31 -4.78713615e+01 -1.08343689e+02 2.86108523e+01 32 -4.30059843e+01 -1.22822629e+01 -6.28937407e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==249134== Memcheck, a memory error detector ==249134== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==249134== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==249134== Command: python runner2.py MEAM_LAMMPS_KimSeolJi_2017_PtMo__MO_831380044253_001 ==249134== ==249730== Warning: invalid file descriptor 255988 in syscall close() ==249730== Warning: invalid file descriptor 255989 in syscall close() ==249730== Warning: invalid file descriptor 255990 in syscall close() ==249730== Warning: invalid file descriptor 255991 in syscall close() ==249730== Use --log-fd= to select an alternative log fd. ==249730== Warning: invalid file descriptor 255992 in syscall close() ==249730== Warning: invalid file descriptor 255993 in syscall close() ==249134== Mismatched free() / delete / delete [] ==249134== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==249134== by 0x46CEF39C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x46BC254D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x46BC3C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x46BACDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x46BB05CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x20C05F1E: 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) ==249134== by 0x20C06E18: 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) ==249134== by 0x20C0B762: 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) ==249134== by 0x20BBB246: 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) ==249134== by 0x1A8A54C7: 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) ==249134== by 0x1A8B92E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==249134== Address 0x91c0dfe0 is 0 bytes inside a block of size 1,024 alloc'd ==249134== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==249134== by 0x46CEEB21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x46BC254D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x46BC3C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x46BACDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x46BB05CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x20C05F1E: 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) ==249134== by 0x20C06E18: 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) ==249134== by 0x20C0B762: 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) ==249134== by 0x20BBB246: 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) ==249134== by 0x1A8A54C7: 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) ==249134== by 0x1A8B92E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==249134== ==249134== Mismatched free() / delete / delete [] ==249134== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==249134== by 0x46CE9DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x46BC2578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x46BC3C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x46BACDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x46BB05CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x20C05F1E: 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) ==249134== by 0x20C06E18: 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) ==249134== by 0x20C0B762: 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) ==249134== by 0x20BBB246: 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) ==249134== by 0x1A8A54C7: 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) ==249134== by 0x1A8B92E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==249134== Address 0x91c0f270 is 0 bytes inside a block of size 1,024 alloc'd ==249134== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==249134== by 0x46CE9BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x46BC2578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x46BC3C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x46BACDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x46BB05CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-36deda8a-e757-41e6-b842-85810898e245-007-dbdad637-6281-4b2d-85c6-5dabca6c7707/VC_561022993723_003-and-MO_831380044253_001-1656607941/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==249134== by 0x20C05F1E: 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) ==249134== by 0x20C06E18: 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) ==249134== by 0x20C0B762: 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) ==249134== by 0x20BBB246: 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) ==249134== by 0x1A8A54C7: 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) ==249134== by 0x1A8B92E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==249134== ==249134== ==249134== HEAP SUMMARY: ==249134== in use at exit: 2,203,207 bytes in 1,644 blocks ==249134== total heap usage: 95,542 allocs, 93,898 frees, 120,192,049 bytes allocated ==249134== ==249134== LEAK SUMMARY: ==249134== definitely lost: 0 bytes in 0 blocks ==249134== indirectly lost: 0 bytes in 0 blocks ==249134== possibly lost: 198,622 bytes in 101 blocks ==249134== still reachable: 2,004,553 bytes in 1,542 blocks ==249134== suppressed: 32 bytes in 1 blocks ==249134== Rerun with --leak-check=full to see details of leaked memory ==249134== ==249134== For lists of detected and suppressed errors, rerun with: -s ==249134== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9319 from 551) ================================================================================ 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.