!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ChoiKimSeol_2017_CoFe__MO_179158257180_001 Supported species : Co Fe random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Co (Configuration in file "config-F-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -50.15844392369779 Forces: 1 -4.47274454e+00 -6.77955127e+00 -7.22025740e+00 2 -1.82783365e+00 4.43054843e+00 -5.13855941e+00 3 2.22082423e+00 -3.80174302e+00 4.10144782e+00 4 -4.50225678e+00 4.51124182e+00 6.59264752e+00 5 3.98465055e+00 -6.41078766e+00 -1.61018888e+00 6 2.19697321e+00 5.78705746e-01 -3.09780197e+00 7 4.16563094e+00 -1.55954914e+01 -1.49958241e+01 8 -1.50850225e+01 -1.46014779e+01 -1.06351262e+00 9 -4.64885964e+00 -9.44002658e-01 -6.17720863e+00 10 -4.83770445e+00 8.77293830e+00 -9.31831000e+00 11 -4.34960038e+00 -6.28590737e+00 2.62063010e+00 12 -3.50691019e+00 6.32403236e+00 -2.52897878e+00 13 -1.82955353e+00 -4.11064091e+00 -2.13617949e+01 14 3.14868711e+00 3.20959500e+00 -9.42122272e-01 15 2.46495357e+01 8.28474664e+00 2.70223337e+00 16 7.16000686e+00 1.65447309e+01 6.76287274e+00 17 -4.14150341e+00 -2.47646710e+00 -2.67138532e+00 18 4.93089125e-03 6.96569205e+00 -9.48081721e+00 19 -4.33240456e-01 -1.12788972e+01 5.85894996e+00 20 -3.99829626e+00 3.03280976e+00 3.50161532e+00 21 -5.87156586e+00 -6.29243663e+00 3.76485951e+00 22 1.14476046e+01 1.03719680e+01 1.20660985e+01 23 1.74058395e+00 -3.25092680e-01 3.35990443e+00 24 4.75049098e+00 3.78604116e+00 6.50153296e+00 25 -7.10959159e+00 -5.92361988e+00 3.17121090e+00 26 -4.11744723e+00 1.08891098e+01 -4.30716251e+00 27 6.40191992e+00 -1.68386275e+01 7.55721705e+00 28 -1.32015393e+01 1.16614938e+01 2.71835111e+00 29 -2.99079749e+00 -3.56310582e+00 6.22007482e+00 30 3.62677772e+00 7.02218283e+00 -4.69380254e+00 31 6.62269342e+00 -8.58195387e+00 9.13862729e+00 32 4.80315716e+00 7.42396616e+00 7.96945321e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Co (Configuration in file "config-T-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -50.15844392369779 Forces: 1 -4.47274454e+00 -6.77955127e+00 -7.22025740e+00 2 -1.82783365e+00 4.43054843e+00 -5.13855941e+00 3 2.22082423e+00 -3.80174302e+00 4.10144782e+00 4 -4.50225678e+00 4.51124182e+00 6.59264752e+00 5 3.98465055e+00 -6.41078766e+00 -1.61018888e+00 6 2.19697321e+00 5.78705746e-01 -3.09780197e+00 7 4.16563094e+00 -1.55954914e+01 -1.49958241e+01 8 -1.50850225e+01 -1.46014779e+01 -1.06351262e+00 9 -4.64885964e+00 -9.44002658e-01 -6.17720863e+00 10 -4.83770445e+00 8.77293830e+00 -9.31831000e+00 11 -4.34960038e+00 -6.28590737e+00 2.62063010e+00 12 -3.50691019e+00 6.32403236e+00 -2.52897878e+00 13 -1.82955353e+00 -4.11064091e+00 -2.13617949e+01 14 3.14868711e+00 3.20959500e+00 -9.42122272e-01 15 2.46495357e+01 8.28474664e+00 2.70223337e+00 16 7.16000686e+00 1.65447309e+01 6.76287274e+00 17 -4.14150341e+00 -2.47646710e+00 -2.67138532e+00 18 4.93089125e-03 6.96569205e+00 -9.48081721e+00 19 -4.33240456e-01 -1.12788972e+01 5.85894996e+00 20 -3.99829626e+00 3.03280976e+00 3.50161532e+00 21 -5.87156586e+00 -6.29243663e+00 3.76485951e+00 22 1.14476046e+01 1.03719680e+01 1.20660985e+01 23 1.74058395e+00 -3.25092680e-01 3.35990443e+00 24 4.75049098e+00 3.78604116e+00 6.50153296e+00 25 -7.10959159e+00 -5.92361988e+00 3.17121090e+00 26 -4.11744723e+00 1.08891098e+01 -4.30716251e+00 27 6.40191992e+00 -1.68386275e+01 7.55721705e+00 28 -1.32015393e+01 1.16614938e+01 2.71835111e+00 29 -2.99079749e+00 -3.56310582e+00 6.22007482e+00 30 3.62677772e+00 7.02218283e+00 -4.69380254e+00 31 6.62269342e+00 -8.58195387e+00 9.13862729e+00 32 4.80315716e+00 7.42396616e+00 7.96945321e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -17.65750871839306 Forces: 1 -1.16538158e+01 -4.72843042e+00 -1.12227539e+01 2 -3.23600714e+00 -3.74865822e+00 -1.67358256e+01 3 6.90395146e+00 -6.76565753e+00 1.36153115e+01 4 -9.83177854e+00 -9.80477893e+00 1.11212628e+00 5 -4.34360833e+00 -6.65952300e+00 -9.56742114e+00 6 8.08450741e+00 -2.98598312e+00 -8.06414913e+00 7 9.18047367e+00 -1.01922305e+01 2.81654405e+00 8 9.02198672e+00 -9.00359551e+00 1.06915068e+01 9 -7.28727331e+00 5.48682386e+00 -1.01885013e+01 10 -2.21254732e-01 6.90715215e+00 -5.42121473e+00 11 -3.76629447e+00 1.19601920e+01 6.39529399e+00 12 -8.38308831e-01 5.77023133e+00 -5.78709192e-01 13 3.51338019e+00 9.63987792e+00 -1.54884021e+01 14 1.09313894e-01 3.16753743e+00 -1.96441852e+00 15 5.72460371e+00 4.01804102e+00 5.07925794e+00 16 7.41211324e+00 6.23489452e+00 -9.20045753e+00 17 -7.64083725e-01 2.15382371e-02 3.41257077e-01 18 -1.61009327e+00 -6.31286779e+00 4.79360060e+00 19 -1.69616286e+00 -1.67249731e+00 1.58829565e+00 20 -2.32567424e+00 -3.88000217e+00 7.29411874e+00 21 -4.96404553e+00 -6.21650620e+00 1.41518955e+00 22 7.76957532e+00 7.33521113e+00 2.00192445e+00 23 2.92132418e+00 -3.22639751e+00 6.11423827e+00 24 -2.14411480e+00 -1.53745156e+01 1.65454376e+01 25 -7.86963989e+00 3.71763294e+00 1.45418906e+00 26 -2.03571663e+01 9.61330008e+00 -7.94495061e+00 27 -1.78015035e+01 -1.29117708e+01 1.97467710e+01 28 -4.28635527e+00 2.45181622e+00 6.52593785e-01 29 4.07784574e+00 -7.05626746e+00 -2.39597209e+01 30 2.43535757e+01 1.39824083e+01 -1.58654818e+01 31 1.22043852e+01 -5.15530991e+00 1.00810887e+01 32 3.72014426e+00 2.53883350e+01 2.44632614e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -17.65750871839306 Forces: 1 -1.16538158e+01 -4.72843042e+00 -1.12227539e+01 2 -3.23600714e+00 -3.74865822e+00 -1.67358256e+01 3 6.90395146e+00 -6.76565753e+00 1.36153115e+01 4 -9.83177854e+00 -9.80477893e+00 1.11212628e+00 5 -4.34360833e+00 -6.65952300e+00 -9.56742114e+00 6 8.08450741e+00 -2.98598312e+00 -8.06414913e+00 7 9.18047367e+00 -1.01922305e+01 2.81654405e+00 8 9.02198672e+00 -9.00359551e+00 1.06915068e+01 9 -7.28727331e+00 5.48682386e+00 -1.01885013e+01 10 -2.21254732e-01 6.90715215e+00 -5.42121473e+00 11 -3.76629447e+00 1.19601920e+01 6.39529399e+00 12 -8.38308831e-01 5.77023133e+00 -5.78709192e-01 13 3.51338019e+00 9.63987792e+00 -1.54884021e+01 14 1.09313894e-01 3.16753743e+00 -1.96441852e+00 15 5.72460371e+00 4.01804102e+00 5.07925794e+00 16 7.41211324e+00 6.23489452e+00 -9.20045753e+00 17 -7.64083725e-01 2.15382371e-02 3.41257077e-01 18 -1.61009327e+00 -6.31286779e+00 4.79360060e+00 19 -1.69616286e+00 -1.67249731e+00 1.58829565e+00 20 -2.32567424e+00 -3.88000217e+00 7.29411874e+00 21 -4.96404553e+00 -6.21650620e+00 1.41518955e+00 22 7.76957532e+00 7.33521113e+00 2.00192445e+00 23 2.92132418e+00 -3.22639751e+00 6.11423827e+00 24 -2.14411480e+00 -1.53745156e+01 1.65454376e+01 25 -7.86963989e+00 3.71763294e+00 1.45418906e+00 26 -2.03571663e+01 9.61330008e+00 -7.94495061e+00 27 -1.78015035e+01 -1.29117708e+01 1.97467710e+01 28 -4.28635527e+00 2.45181622e+00 6.52593785e-01 29 4.07784574e+00 -7.05626746e+00 -2.39597209e+01 30 2.43535757e+01 1.39824083e+01 -1.58654818e+01 31 1.22043852e+01 -5.15530991e+00 1.00810887e+01 32 3.72014426e+00 2.53883350e+01 2.44632614e+01 MIXED STRUCTURE (pbc=False)-- Species = Co Fe (Configuration in file "config-F-CoFe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 53.616970831295895 Forces: 1 -4.23290494e+00 -1.58275726e+01 -2.16329075e+01 2 -4.44867781e+00 -1.18267870e+01 -2.44872411e+01 3 1.72741037e+01 -2.04028391e+01 4.11290541e+00 4 -2.71340446e+01 2.12952366e+01 1.19952373e+01 5 -1.14826270e+01 -1.51361314e+01 -1.27910769e+01 6 1.56783824e+01 1.57989676e+01 -2.27705391e+01 7 1.56065849e+01 -2.46632267e+01 1.61973432e+01 8 -1.25126480e+01 -1.82878488e+01 7.14309064e+00 9 -2.02481451e+01 -1.09043353e+01 -1.06985317e+01 10 1.28995748e+01 1.65790154e+01 -8.62227314e+00 11 -2.00678400e+01 9.52159779e+00 3.65823495e+01 12 -5.11155968e+01 7.32667545e+00 -4.18172020e+01 13 1.85073585e+01 8.67531330e+00 -3.19576830e+01 14 7.69612539e+00 7.66581872e+00 -1.00633671e+01 15 2.44597176e+01 1.41626361e+01 4.92063780e+00 16 -7.62457445e+00 9.97957978e+00 -4.78545698e-01 17 -2.88345094e+01 -3.40192694e+01 -3.99468670e+00 18 3.57196591e+01 2.41045429e+01 -2.30743845e+01 19 5.03087780e+00 -8.63421394e+00 1.35103920e+01 20 -2.06082139e+01 1.24289978e+01 2.50492867e+01 21 -4.98475709e+00 -8.76018346e+00 -7.26165691e+00 22 1.49812483e+01 8.88415021e-01 -6.73454247e+00 23 8.50266348e+00 -1.23906106e+01 1.38451085e+01 24 5.06092417e+00 -2.91394640e+01 4.51970948e+01 25 -1.70478620e+01 -1.61928897e+01 2.47185052e+00 26 5.52173308e+01 2.22161571e+01 4.25149735e+01 27 -1.80885389e+01 -9.01894493e+00 1.20692609e+01 28 -6.36741026e+00 6.87348607e+00 8.17851164e+00 29 -9.88260562e+00 2.70022816e+01 -3.73311753e+01 30 9.14107890e+00 1.10502270e+01 -2.51262519e+00 31 1.00354536e+01 -4.29626982e-02 1.29813950e+01 32 8.86987246e+00 1.96783314e+01 9.45900079e+00 MIXED STRUCTURE (pbc=True)-- Species = Co Fe (Configuration in file "config-T-CoFe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 71.73732213031644 Forces: 1 -9.72939437e+00 -1.34183315e+01 -1.70153556e+01 2 -3.09699349e+00 -1.19850748e+01 -1.85572300e+01 3 1.94690921e+01 -1.20941927e+01 2.68473503e+00 4 -1.27890130e+01 2.51025532e+01 1.49305424e+01 5 -1.15076954e+01 -1.31961831e+01 -9.90135473e+00 6 1.00067628e+01 1.70607706e+01 -2.57671674e+01 7 1.03809233e+01 -2.63779828e+01 1.74580763e+01 8 -1.33679247e+01 -1.85237575e+01 7.74469747e+00 9 -1.88725135e+01 -1.41026042e+01 -7.10151489e+00 10 1.56967894e+01 1.28828481e+01 -3.69479470e+00 11 -1.94419225e+01 9.12624739e+00 3.77818280e+01 12 -5.31205697e+01 4.88457001e+00 -4.17922150e+01 13 1.95447860e+01 8.10893379e+00 -2.61363609e+01 14 7.54938525e+00 9.34570620e+00 -7.75211264e+00 15 2.24434370e+01 1.46383183e+01 5.42954025e+00 16 -8.83049398e+00 1.53780844e+00 -2.24618781e+00 17 -1.86482844e+01 -3.57042729e+01 -5.90018294e+00 18 3.73917950e+01 2.53686691e+01 -2.45458893e+01 19 7.97818117e+00 -7.18449621e+00 6.00731468e+00 20 -1.13999222e+01 1.39706895e+01 3.03310992e+01 21 -6.51900660e+00 -9.91093720e-01 -4.81182043e+00 22 -4.60958861e+00 5.62268099e+00 -1.40361128e+01 23 4.46636452e+00 -1.17564157e+01 1.61547967e+01 24 4.66244946e+00 -2.92738857e+01 4.12444131e+01 25 -1.16000519e+01 -1.56867256e+01 4.43804107e-01 26 5.70192792e+01 1.39985473e+01 4.49241848e+01 27 -1.84212272e+01 -8.03590838e+00 4.12996260e+00 28 -5.07170667e+00 6.47123859e+00 5.36888865e+00 29 -1.07985520e+01 2.71658815e+01 -3.82661753e+01 30 7.03683479e+00 7.89144900e+00 -4.84578032e+00 31 4.46962309e+00 -2.81924869e+00 1.24082981e+01 32 9.70915718e+00 1.79732615e+01 5.32807338e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==168663== Memcheck, a memory error detector ==168663== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==168663== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==168663== Command: python runner2.py MEAM_LAMMPS_ChoiKimSeol_2017_CoFe__MO_179158257180_001 ==168663== ==170296== Warning: invalid file descriptor 255988 in syscall close() ==170296== Warning: invalid file descriptor 255989 in syscall close() ==170296== Warning: invalid file descriptor 255990 in syscall close() ==170296== Warning: invalid file descriptor 255991 in syscall close() ==170296== Use --log-fd= to select an alternative log fd. ==170296== Warning: invalid file descriptor 255992 in syscall close() ==170296== Warning: invalid file descriptor 255993 in syscall close() ==168663== Mismatched free() / delete / delete [] ==168663== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==168663== by 0x119B8A39C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x119A5D54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x119A5EC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x119A47DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x119A4B5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x3C8B7F1E: 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) ==168663== by 0x3C8B8E18: 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) ==168663== by 0x3C8BD762: 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) ==168663== by 0x3C86D246: 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) ==168663== by 0x324824C7: 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) ==168663== by 0x324962E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==168663== Address 0x3ecdd680 is 0 bytes inside a block of size 1,024 alloc'd ==168663== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==168663== by 0x119B89B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x119A5D54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x119A5EC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x119A47DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x119A4B5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x3C8B7F1E: 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) ==168663== by 0x3C8B8E18: 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) ==168663== by 0x3C8BD762: 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) ==168663== by 0x3C86D246: 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) ==168663== by 0x324824C7: 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) ==168663== by 0x324962E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==168663== ==168663== Mismatched free() / delete / delete [] ==168663== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==168663== by 0x119B84DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x119A5D578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x119A5EC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x119A47DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x119A4B5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x3C8B7F1E: 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) ==168663== by 0x3C8B8E18: 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) ==168663== by 0x3C8BD762: 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) ==168663== by 0x3C86D246: 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) ==168663== by 0x324824C7: 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) ==168663== by 0x324962E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==168663== Address 0x3ecde910 is 0 bytes inside a block of size 1,024 alloc'd ==168663== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==168663== by 0x119B84BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x119A5D578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x119A5EC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x119A47DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x119A4B5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-12f6cb20-8cab-4f1d-9e07-fcd4fa67720b-007-cd095ac3-3569-4018-8b52-a20d81921fb5/VC_561022993723_003-and-MO_179158257180_001-1649040264/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==168663== by 0x3C8B7F1E: 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) ==168663== by 0x3C8B8E18: 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) ==168663== by 0x3C8BD762: 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) ==168663== by 0x3C86D246: 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) ==168663== by 0x324824C7: 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) ==168663== by 0x324962E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==168663== ==168663== ==168663== HEAP SUMMARY: ==168663== in use at exit: 2,203,207 bytes in 1,644 blocks ==168663== total heap usage: 95,500 allocs, 93,856 frees, 120,172,183 bytes allocated ==168663== ==168663== LEAK SUMMARY: ==168663== definitely lost: 0 bytes in 0 blocks ==168663== indirectly lost: 0 bytes in 0 blocks ==168663== possibly lost: 198,622 bytes in 101 blocks ==168663== still reachable: 2,004,553 bytes in 1,542 blocks ==168663== suppressed: 32 bytes in 1 blocks ==168663== Rerun with --leak-check=full to see details of leaked memory ==168663== ==168663== For lists of detected and suppressed errors, rerun with: -s ==168663== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9239 from 550) ================================================================================ 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.