!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Wagner_2007_SiC__MO_430846853065_001 Supported species : C Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = C (Configuration in file "config-F-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = 852.0379349799115 Forces: 1 9.90273597e+01 -6.38325747e+01 -2.24860961e+02 2 -3.76300736e+02 1.52082212e+02 -7.31803062e+01 3 1.45170683e+01 -1.56031654e+02 1.82680558e+02 4 -6.73269238e+01 2.43560145e+02 1.34774229e+02 5 3.20381383e+02 -5.12811304e+01 9.09936128e+01 6 -2.04607490e+02 1.39242842e+02 1.19130436e+02 7 2.31773303e+02 -6.12825931e+02 -1.85642829e+02 8 -1.71965958e+03 -2.22177684e+03 7.72485687e+02 9 5.00205139e+00 -6.47729339e+01 -2.54361624e+00 10 -1.18391173e+02 5.54402303e+01 -4.26246303e+00 11 2.50874487e+02 -1.67180887e+02 -7.28568481e+01 12 -2.26286830e+01 2.29122867e+01 2.35467992e+01 13 -1.76141385e+02 -5.23325499e+02 8.13427893e+01 14 5.02766011e+02 3.51621024e+02 2.03772616e+00 15 1.36331736e+03 2.75944769e+03 -4.52234400e+02 16 1.14343070e+02 -5.33445558e+01 1.63283460e+01 17 -2.47866676e+03 1.60311126e+03 2.43170507e+02 18 1.32725858e+02 1.75502669e+01 -3.00272273e+01 19 3.78637642e+03 -8.82280953e+02 1.06643532e+03 20 -1.31787835e+03 -6.85083903e+02 -1.46284623e+03 21 -2.18196914e+02 -2.02794436e+02 -6.27732759e+02 22 -4.80043779e+02 4.11414895e+02 -1.86669670e+02 23 -6.15952515e+01 3.35653553e+02 4.12961780e+02 24 2.70918623e+02 -1.26073154e+02 2.30788178e+02 25 -2.52912738e+03 2.77271975e+03 9.48396026e+02 26 -4.09995740e+01 -1.19503639e+00 4.10866068e+01 27 5.02673328e+03 -2.26820782e+03 3.70655781e+03 28 -2.49389134e+03 -5.29434566e+02 -4.61585759e+03 29 1.61592503e+02 -7.43499423e+01 -1.97712392e+01 30 3.22475856e+01 -5.55182205e+01 -2.47679005e+02 31 1.27121063e+01 -1.41598661e+02 1.01981642e+02 32 -1.98531446e+01 1.61525327e+01 3.14670862e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = C (Configuration in file "config-T-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = 580.59020689641 Forces: 1 6.88478945e+01 -4.90493299e+01 -1.67486394e+02 2 -2.95417946e+02 1.28567106e+02 -5.02442734e+01 3 1.50412351e+01 -1.08501342e+02 1.29374439e+02 4 -4.77670239e+01 1.75863761e+02 1.00690583e+02 5 2.60503519e+02 -5.02329036e+01 6.73077084e+01 6 -1.68919477e+02 1.13897133e+02 1.01022962e+02 7 1.96239507e+02 -5.00227721e+02 -1.47581130e+02 8 -1.42070456e+03 -1.81161557e+03 6.37933432e+02 9 3.43561612e+00 -4.65618110e+01 -2.60724396e+00 10 -9.62470318e+01 4.90854550e+01 -2.80542610e+00 11 2.00661045e+02 -1.33286662e+02 -6.03120495e+01 12 -1.45104494e+01 1.54109932e+01 1.76637906e+01 13 -6.77903986e+01 -3.75715296e+02 6.49634450e+01 14 3.29270859e+02 2.31654468e+02 7.26803513e-01 15 1.14012429e+03 2.25242025e+03 -3.80800768e+02 16 9.49384957e+01 -4.86628972e+01 1.50316469e+01 17 -1.78868028e+03 1.11606759e+03 1.36939542e+02 18 9.33058192e+01 8.40327726e+00 -2.06475312e+01 19 2.70226806e+03 -6.06107667e+02 7.80191196e+02 20 -9.21734197e+02 -4.84042534e+02 -1.02454233e+03 21 -1.50330511e+02 -1.31776589e+02 -4.24118128e+02 22 -3.94955886e+02 3.33446147e+02 -1.59560422e+02 23 -3.58309956e+01 2.23319660e+02 2.83129919e+02 24 1.81089079e+02 -8.40803893e+01 1.52078667e+02 25 -1.69545818e+03 1.86269446e+03 6.38552769e+02 26 -3.60835881e+01 -1.41179531e+00 3.61329503e+01 27 3.42555546e+03 -1.57046819e+03 2.48352963e+03 28 -1.72544821e+03 -3.07687128e+02 -3.09858084e+03 29 1.29514456e+02 -6.88777927e+01 -2.26998454e+01 30 2.44951523e+01 -4.02328383e+01 -1.84798145e+02 31 8.93733365e+00 -1.06478137e+02 7.75562032e+01 32 -1.43490878e+01 1.41862905e+01 2.39588466e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 518.4699577926368 Forces: 1 -2.17266192e+00 -1.78458700e+01 -2.51864647e+01 2 -4.18405582e+00 -6.54679832e+01 -6.67525108e+01 3 2.59118261e+01 -4.74199660e+01 -2.76305091e-01 4 -7.62520299e+01 9.70435298e+00 -6.84366435e+01 5 -1.68829444e+01 -4.80002911e+01 4.11370785e+00 6 4.14519502e+01 1.10487051e+02 -2.48382260e+01 7 3.97859904e+01 -5.42684065e+01 -8.10721711e+01 8 -6.58218992e+01 -5.63101858e+01 5.63397250e+01 9 -9.44960994e+01 1.68982923e+02 1.05851725e+02 10 -2.99284614e+02 1.89969359e+02 -2.07835517e+01 11 2.38220068e+01 -1.69299523e+02 2.27439725e+02 12 -5.87085831e+01 -1.55453854e+02 -5.83128540e+02 13 9.32525167e+01 -7.21186162e+01 -4.62577864e+01 14 5.24509944e+01 -1.31957923e+01 4.30120320e+01 15 7.14350085e+01 5.69297613e+01 -7.97893576e+01 16 2.06855986e+02 4.30068604e+01 1.91279103e+01 17 -7.45352065e+01 -1.10257213e+02 -1.46343071e+01 18 6.00275462e+01 1.40452259e+02 -8.61894728e+01 19 1.59648583e+02 -4.58234514e+01 6.27820881e+01 20 -5.19541785e+01 4.40587803e+01 5.71856497e+01 21 -1.87396494e+02 -1.22165712e+02 -7.76930676e-02 22 1.38283799e+02 1.25061164e+02 -9.04958501e+01 23 -6.52785866e+00 1.12815866e+01 1.30919134e+02 24 8.05641833e+00 -1.47274535e+02 1.43042669e+02 25 -2.26162274e+02 1.63696046e+02 2.14055323e+02 26 4.31215910e+02 3.00451942e+02 7.70808864e+01 27 -8.42958084e+01 8.41337095e+00 2.12026875e+01 28 -1.36011759e+02 -3.24615254e+02 -1.63891685e+01 29 -9.01763414e+01 -3.97594160e+01 2.14741411e+01 30 6.53207297e+01 3.94904769e+01 2.48348582e+01 31 4.28074125e+01 4.72978247e+01 9.87462747e+00 32 1.45361315e+01 2.99923109e+01 -1.40288406e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 411.9472192208139 Forces: 1 2.10722378e+00 -2.17633422e+01 -2.20103043e+01 2 -1.31980021e+01 -5.68293801e+01 -5.18445613e+01 3 9.95503487e+00 -3.57947676e+01 -6.71503847e+00 4 -5.94274310e+01 6.38044756e+00 -5.42355153e+01 5 -1.18283708e+01 -3.94913010e+01 -2.31096158e+00 6 3.33761521e+01 8.20704347e+01 -1.94308590e+01 7 3.78328519e+01 -4.88840226e+01 -6.85135169e+01 8 -4.36280716e+01 -4.94243214e+01 3.75385740e+01 9 -6.48821759e+01 1.23118136e+02 7.07946783e+01 10 -2.32207094e+02 1.42099225e+02 -2.64803123e+01 11 1.10112601e+01 -1.16687722e+02 1.61339380e+02 12 -4.79008231e+01 -1.06525274e+02 -4.25040715e+02 13 8.65800514e+01 -4.35970318e+01 -3.51277009e+01 14 3.56654458e+01 -8.28865370e+00 2.73793969e+01 15 5.32152324e+01 4.02410491e+01 -6.01740347e+01 16 1.74184313e+02 3.88766864e+01 6.50820006e+00 17 -6.51966326e+01 -9.21574052e+01 -7.85398426e+00 18 6.16743018e+01 1.00982921e+02 -5.55458691e+01 19 1.11252378e+02 -3.74910415e+01 5.17376850e+01 20 -4.30134196e+01 3.27619796e+01 5.02300970e+01 21 -1.43664057e+02 -9.61587873e+01 -9.73523548e+00 22 1.02333856e+02 9.66790905e+01 -5.52133022e+01 23 6.40926527e+00 3.75601634e+00 1.00458604e+02 24 8.89164997e+00 -1.02272666e+02 1.06381851e+02 25 -1.64214569e+02 1.28892532e+02 1.51032977e+02 26 2.93894642e+02 2.04213156e+02 7.59956181e+01 27 -6.89586741e+01 6.59226912e+00 1.61581170e+01 28 -1.00898552e+02 -2.19023319e+02 -2.38631367e+00 29 -7.05807329e+01 -2.99476804e+01 2.56882534e+01 30 5.20059129e+01 3.33178363e+01 1.72770497e+01 31 3.57066961e+01 3.72834735e+01 1.22880979e+01 32 1.35023385e+01 2.70714630e+01 -8.19035538e+00 MIXED STRUCTURE (pbc=False)-- Species = C Si (Configuration in file "config-F-CSi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 471.7811879463382 Forces: 1 -1.03375328e+02 -1.62624918e+02 4.29826598e+02 2 4.46711580e+02 5.49290658e+02 -3.60836543e+02 3 -9.99859274e+01 -1.74502414e+02 -1.10214261e+02 4 -1.83202744e+02 -1.17476007e+02 -8.35592978e+00 5 -1.39366229e+01 -3.01507669e+01 -6.25340593e+01 6 2.20770675e+01 2.59565837e+00 1.58759929e+01 7 -6.68122179e+00 -4.09369924e+01 1.10611784e+02 8 -1.00865537e+02 1.01912574e+02 -2.84867814e+01 9 -1.94922726e+01 -8.59280786e+01 -5.90218430e+01 10 -5.02001296e+01 1.11484153e+02 4.63022289e+00 11 8.31617504e+01 -1.28595869e+02 1.43167929e+02 12 -2.40335024e+01 -2.08239073e+00 -9.61589997e+01 13 -4.72349733e+01 8.33628840e+01 -1.27693017e+02 14 -1.52565121e+02 2.08152280e+02 2.30732691e+01 15 1.58817123e+02 -3.82494704e+02 1.11183481e+02 16 -2.38638412e+02 2.52534970e+02 -5.30960865e+02 17 -9.97747282e+01 7.63206910e+01 1.16501056e+02 18 -4.61874719e+01 -8.37802766e+00 4.23685524e+01 19 6.76806178e+01 -8.68178542e+00 1.18448075e+01 20 -9.78059250e+01 -5.82664840e+01 -3.05555017e+01 21 1.69461098e+02 -1.42133166e+02 7.67617553e+01 22 9.85460608e+00 -8.60885981e+00 -1.71739708e+00 23 -1.78998711e+01 -6.09171957e+00 -1.76382745e+01 24 -5.74484466e+00 -5.97111144e+00 2.19184805e+01 25 -7.46123720e+01 -3.21855639e+01 -2.91638182e+02 26 1.64145348e+00 1.10317972e+02 1.67480729e+02 27 2.51744886e+02 -2.41912784e+02 1.98642969e+02 28 -8.42486330e+01 2.72783886e+02 -7.17089187e+01 29 7.42410656e+01 -7.16331135e+01 -2.12495807e+01 30 2.07362462e+02 -6.23776618e+01 3.16406683e+02 31 3.57827297e+01 -5.02982258e+01 -1.60786142e+01 32 -6.20508026e+01 5.25749175e+01 4.45544586e+01 MIXED STRUCTURE (pbc=True)-- Species = C Si (Configuration in file "config-T-CSi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 142.68110923013288 Forces: 1 -2.24358190e+00 -5.82055692e+00 1.93088226e+01 2 -1.97354961e+01 4.91012996e+01 -5.22488667e+01 3 9.75004397e+01 7.29677005e+01 9.95016835e+00 4 4.16156423e+00 -1.65165997e+00 7.04263937e+00 5 -9.74088737e-01 -2.30365738e+00 -1.50146794e-01 6 2.22705860e+01 -9.30724093e+00 1.57908492e+01 7 -4.84417651e-01 1.54601118e+00 3.89069193e+00 8 -4.53051342e+01 -2.24720100e+01 2.85242175e+00 9 -9.22709906e-01 -2.61794808e+01 -2.81854070e+01 10 -1.65971398e+01 -2.51542124e+01 -1.58800836e+01 11 4.52091370e-02 -3.09021534e+01 3.02097739e+01 12 -5.30070670e+01 1.07628346e+00 -6.99961983e+00 13 -8.45888880e+00 8.29188661e+01 -8.58662652e+01 14 1.39192664e+01 8.23936972e+00 -2.92153066e+00 15 3.66685595e+01 -6.06098053e+01 -3.40830166e+01 16 -2.42901280e+02 1.41843221e+02 -2.70847490e+02 17 -5.54389382e+01 2.26855091e+01 6.43912268e+01 18 -6.02131509e+01 5.90279327e+00 3.43838502e+01 19 2.34952845e+01 -1.40595612e+01 7.90511090e+00 20 -4.53348960e+01 -2.35449525e+01 -1.01947251e+01 21 7.15535432e+01 -1.11234495e+02 7.34831644e+01 22 -2.25708921e+00 -3.67511129e+01 -1.40907392e+01 23 -2.40508957e+01 -3.34179905e+00 -3.08707816e+00 24 1.28739733e+00 -1.04421867e+01 2.34162198e+00 25 -6.93731887e+01 2.04660827e+01 -9.69635897e+01 26 1.71585669e+01 3.79958143e+01 5.13367950e+01 27 7.50518175e+01 -6.32248805e+00 9.36927344e+01 28 -3.26586330e+01 3.56658304e+01 -2.13073878e+01 29 7.99517687e+01 -6.47758424e+01 -6.56273427e+00 30 1.84383479e+02 -5.56944645e+01 2.42983578e+02 31 7.39490380e+01 -1.40446426e+01 -2.25187795e+01 32 -2.14399242e+01 4.42035405e+01 1.23440118e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==198942== Memcheck, a memory error detector ==198942== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==198942== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==198942== Command: python runner2.py MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_001 ==198942== ==203562== Warning: invalid file descriptor 255988 in syscall close() ==203562== Warning: invalid file descriptor 255989 in syscall close() ==203562== Warning: invalid file descriptor 255990 in syscall close() ==203562== Warning: invalid file descriptor 255991 in syscall close() ==203562== Use --log-fd= to select an alternative log fd. ==203562== Warning: invalid file descriptor 255992 in syscall close() ==203562== Warning: invalid file descriptor 255993 in syscall close() ==198942== Mismatched free() / delete / delete [] ==198942== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==198942== by 0x119CA539C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x119B7854D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x119B79C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x119B62DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x119B665CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x24EB1F1E: 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) ==198942== by 0x24EB2E18: 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) ==198942== by 0x24EB7762: 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) ==198942== by 0x24E67246: 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) ==198942== by 0x22AE04C7: 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) ==198942== by 0x22AF42E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==198942== Address 0x3ebb64e0 is 0 bytes inside a block of size 1,024 alloc'd ==198942== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==198942== by 0x119CA4B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x119B7854D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x119B79C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x119B62DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x119B665CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x24EB1F1E: 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) ==198942== by 0x24EB2E18: 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) ==198942== by 0x24EB7762: 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) ==198942== by 0x24E67246: 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) ==198942== by 0x22AE04C7: 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) ==198942== by 0x22AF42E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==198942== ==198942== Mismatched free() / delete / delete [] ==198942== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==198942== by 0x119C9FDCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x119B78578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x119B79C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x119B62DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x119B665CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x24EB1F1E: 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) ==198942== by 0x24EB2E18: 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) ==198942== by 0x24EB7762: 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) ==198942== by 0x24E67246: 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) ==198942== by 0x22AE04C7: 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) ==198942== by 0x22AF42E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==198942== Address 0x3ebb7770 is 0 bytes inside a block of size 1,024 alloc'd ==198942== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==198942== by 0x119C9FBAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x119B78578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x119B79C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x119B62DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x119B665CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-021a6505-a6cf-46ab-a8c8-b65a93206d37-007-be3c7a44-a208-4bd9-8ab4-1961f1352780/VC_561022993723_003-and-MO_430846853065_001-1640557767/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==198942== by 0x24EB1F1E: 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) ==198942== by 0x24EB2E18: 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) ==198942== by 0x24EB7762: 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) ==198942== by 0x24E67246: 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) ==198942== by 0x22AE04C7: 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) ==198942== by 0x22AF42E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==198942== ==198942== ==198942== HEAP SUMMARY: ==198942== in use at exit: 2,203,207 bytes in 1,644 blocks ==198942== total heap usage: 95,748 allocs, 94,104 frees, 120,193,368 bytes allocated ==198942== ==198942== LEAK SUMMARY: ==198942== definitely lost: 0 bytes in 0 blocks ==198942== indirectly lost: 0 bytes in 0 blocks ==198942== possibly lost: 198,622 bytes in 101 blocks ==198942== still reachable: 2,004,553 bytes in 1,542 blocks ==198942== suppressed: 32 bytes in 1 blocks ==198942== Rerun with --leak-check=full to see details of leaked memory ==198942== ==198942== For lists of detected and suppressed errors, rerun with: -s ==198942== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9315 from 559) ================================================================================ To pass this verification check the number of bytes that are "definitely lost" or "indirectly lost" must be zero. NOTE that Valgrind will typically report non-zero "possibly lost" bytes due to Python's internal memory allocation and garbage collection that it does not monitor. Full Valgrind output written to auxiliary file "valgrind.out" Grade: P Comment: No memory leak detected.