!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimLee_2008_TiC__MO_134206624109_001 Supported species : C Ti 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 = -12.567902500096817 Forces: 1 -7.62163788e+00 4.47215446e-01 -3.83554618e+00 2 -2.78049788e+00 1.02470630e+01 -1.59353185e+01 3 -1.36772656e+00 -9.31721546e+00 1.53784431e+01 4 -8.39344514e+00 -4.33299653e+00 1.21039347e+00 5 1.08527160e+01 -7.37615106e+00 -2.79755617e+00 6 4.55136959e+00 -4.56115251e+00 -5.69703726e+00 7 -8.56913236e+00 3.84955448e-01 1.38631281e+01 8 -3.24064527e+00 -1.89254693e+01 3.32352952e+00 9 -7.33814517e+00 -5.16372000e+00 -1.53382698e+01 10 5.62835155e+00 1.65504082e+01 -1.42785849e+01 11 -1.44136409e+01 -2.26839631e+01 -3.18655774e+00 12 -1.66244373e+01 1.41016602e+01 7.71979845e+00 13 -8.00965909e+00 7.17836640e+00 -3.09845148e+01 14 8.48642883e+00 6.57637362e+00 -4.75111725e+00 15 3.88273367e+01 -5.07799675e+00 8.05031453e+00 16 -2.35056402e+00 3.00297145e+01 1.01254138e+00 17 -1.09254307e+01 -6.98260835e+00 -7.24579404e+00 18 8.13375574e+00 5.08957568e+00 -5.57260517e+00 19 6.04719361e+00 -9.63100403e+00 8.80983718e+00 20 -5.97220432e+00 7.09445908e+00 9.41913190e+00 21 -1.18035299e+01 -2.56449084e+01 -1.21431346e+01 22 3.19423554e+01 1.98759889e+01 -6.14619758e+00 23 -8.18384062e-01 -2.48620678e+00 6.06629843e+00 24 1.73389260e-01 7.57845315e+00 8.01535426e+00 25 -1.07728644e+00 -1.27885394e+01 -7.68237693e+00 26 7.79513641e+00 1.61264363e+01 -3.69415502e+00 27 -7.09165041e+00 -2.23609427e+00 -2.12707857e+00 28 -1.83415587e+01 1.06265664e+01 2.87472069e+01 29 -2.86911648e+00 -3.00810604e+01 1.24957100e+01 30 1.09387515e+01 7.82720155e+00 -2.67382646e+00 31 4.40221083e+00 -4.65707541e+00 1.29640918e+00 32 1.82969719e+00 1.22117241e+01 1.86815745e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = C (Configuration in file "config-T-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = -12.567902500096817 Forces: 1 -7.62163788e+00 4.47215446e-01 -3.83554618e+00 2 -2.78049788e+00 1.02470630e+01 -1.59353185e+01 3 -1.36772656e+00 -9.31721546e+00 1.53784431e+01 4 -8.39344514e+00 -4.33299653e+00 1.21039347e+00 5 1.08527160e+01 -7.37615106e+00 -2.79755617e+00 6 4.55136959e+00 -4.56115251e+00 -5.69703726e+00 7 -8.56913236e+00 3.84955448e-01 1.38631281e+01 8 -3.24064527e+00 -1.89254693e+01 3.32352952e+00 9 -7.33814517e+00 -5.16372000e+00 -1.53382698e+01 10 5.62835155e+00 1.65504082e+01 -1.42785849e+01 11 -1.44136409e+01 -2.26839631e+01 -3.18655774e+00 12 -1.66244373e+01 1.41016602e+01 7.71979845e+00 13 -8.00965909e+00 7.17836640e+00 -3.09845148e+01 14 8.48642883e+00 6.57637362e+00 -4.75111725e+00 15 3.88273367e+01 -5.07799675e+00 8.05031453e+00 16 -2.35056402e+00 3.00297145e+01 1.01254138e+00 17 -1.09254307e+01 -6.98260835e+00 -7.24579404e+00 18 8.13375574e+00 5.08957568e+00 -5.57260517e+00 19 6.04719361e+00 -9.63100403e+00 8.80983718e+00 20 -5.97220432e+00 7.09445908e+00 9.41913190e+00 21 -1.18035299e+01 -2.56449084e+01 -1.21431346e+01 22 3.19423554e+01 1.98759889e+01 -6.14619758e+00 23 -8.18384062e-01 -2.48620678e+00 6.06629843e+00 24 1.73389260e-01 7.57845315e+00 8.01535426e+00 25 -1.07728644e+00 -1.27885394e+01 -7.68237693e+00 26 7.79513641e+00 1.61264363e+01 -3.69415502e+00 27 -7.09165041e+00 -2.23609427e+00 -2.12707857e+00 28 -1.83415587e+01 1.06265664e+01 2.87472069e+01 29 -2.86911648e+00 -3.00810604e+01 1.24957100e+01 30 1.09387515e+01 7.82720155e+00 -2.67382646e+00 31 4.40221083e+00 -4.65707541e+00 1.29640918e+00 32 1.82969719e+00 1.22117241e+01 1.86815745e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 66.4717510519919 Forces: 1 -1.38190654e+01 -1.05504535e+01 -1.39962691e+01 2 2.77341339e+00 9.73785139e+00 -1.20822373e+01 3 4.49718313e+00 -1.37206617e+01 4.49472256e+00 4 -1.34166828e+01 -5.22116241e+00 3.02476941e+00 5 1.09395307e+01 -9.10634329e+00 -8.20794671e+00 6 4.78230110e+00 -3.29139097e+00 -4.44841088e+00 7 4.99908481e+00 -4.90904306e+00 -9.39091281e-01 8 3.18001862e+00 8.51368907e-01 -7.64269012e+00 9 -1.57858706e+01 3.01401952e-01 -1.82804954e+01 10 1.36588144e+00 8.96053325e+00 -1.01331915e+01 11 4.98210019e+00 -4.48656617e+00 -1.85258493e-01 12 -1.52811695e+01 1.23558230e+01 -1.23450022e+00 13 -1.09503598e+01 -7.24480448e+00 -1.59184615e+01 14 1.72478182e+01 1.98230605e+01 -1.12265561e+01 15 1.92069546e+01 -1.07209911e+01 -3.80782217e+00 16 -4.43759936e+00 1.74794657e+01 -3.47691206e+00 17 -1.28751475e+01 -1.12456461e+01 1.63766603e+00 18 3.42429402e+00 6.56777904e+00 -5.56644908e+00 19 4.65982266e+00 -1.81121038e+01 1.38896534e+01 20 -1.60849264e+01 6.81176216e+00 1.21055293e+01 21 4.32554570e+00 -1.31280160e+01 -5.14617261e-01 22 1.18340926e+01 -1.31956727e+01 -4.00987681e+00 23 1.22387877e+01 -1.28010437e+01 5.78042982e+00 24 -4.85502323e+00 9.41040124e+00 9.92015813e+00 25 -1.09989126e+01 2.65486779e+00 1.01051750e+01 26 1.07555465e+00 1.15329165e+01 6.71694743e+00 27 6.03986709e+00 -2.71718060e+00 7.44684919e+00 28 -1.07472225e+01 8.66240995e+00 4.89505399e+00 29 -1.13757037e+01 -7.46680858e+00 1.01522788e+01 30 2.00647018e+01 1.87806191e+01 -1.75451440e+00 31 1.00270558e+01 -1.06060476e+00 1.97516117e+01 32 -7.03632476e+00 1.50482324e+01 1.35044556e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 66.4717510519919 Forces: 1 -1.38190654e+01 -1.05504535e+01 -1.39962691e+01 2 2.77341339e+00 9.73785139e+00 -1.20822373e+01 3 4.49718313e+00 -1.37206617e+01 4.49472256e+00 4 -1.34166828e+01 -5.22116241e+00 3.02476941e+00 5 1.09395307e+01 -9.10634329e+00 -8.20794671e+00 6 4.78230110e+00 -3.29139097e+00 -4.44841088e+00 7 4.99908481e+00 -4.90904306e+00 -9.39091281e-01 8 3.18001862e+00 8.51368907e-01 -7.64269012e+00 9 -1.57858706e+01 3.01401952e-01 -1.82804954e+01 10 1.36588144e+00 8.96053325e+00 -1.01331915e+01 11 4.98210019e+00 -4.48656617e+00 -1.85258493e-01 12 -1.52811695e+01 1.23558230e+01 -1.23450022e+00 13 -1.09503598e+01 -7.24480448e+00 -1.59184615e+01 14 1.72478182e+01 1.98230605e+01 -1.12265561e+01 15 1.92069546e+01 -1.07209911e+01 -3.80782217e+00 16 -4.43759936e+00 1.74794657e+01 -3.47691206e+00 17 -1.28751475e+01 -1.12456461e+01 1.63766603e+00 18 3.42429402e+00 6.56777904e+00 -5.56644908e+00 19 4.65982266e+00 -1.81121038e+01 1.38896534e+01 20 -1.60849264e+01 6.81176216e+00 1.21055293e+01 21 4.32554570e+00 -1.31280160e+01 -5.14617261e-01 22 1.18340926e+01 -1.31956727e+01 -4.00987681e+00 23 1.22387877e+01 -1.28010437e+01 5.78042982e+00 24 -4.85502323e+00 9.41040124e+00 9.92015813e+00 25 -1.09989126e+01 2.65486779e+00 1.01051750e+01 26 1.07555465e+00 1.15329165e+01 6.71694743e+00 27 6.03986709e+00 -2.71718060e+00 7.44684919e+00 28 -1.07472225e+01 8.66240995e+00 4.89505399e+00 29 -1.13757037e+01 -7.46680858e+00 1.01522788e+01 30 2.00647018e+01 1.87806191e+01 -1.75451440e+00 31 1.00270558e+01 -1.06060476e+00 1.97516117e+01 32 -7.03632476e+00 1.50482324e+01 1.35044556e+01 MIXED STRUCTURE (pbc=False)-- Species = C Ti (Configuration in file "config-F-CTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = -15.755434658258155 Forces: 1 -8.14994913e+00 -7.33954947e+00 -1.00070414e+01 2 3.29925493e-01 -2.51996036e+00 -2.43553696e+01 3 3.33339680e+00 -2.43620453e+01 -1.44845581e+01 4 -2.33413493e+01 3.96838716e+00 -7.59513202e+00 5 -2.04254379e-01 -1.32974079e+01 -1.14116815e+01 6 1.28039951e+01 4.44816395e+00 -1.17715965e+01 7 4.42214503e+00 -4.23853367e+00 -3.18841138e+00 8 7.04443569e+00 8.05047039e+00 2.22768505e+01 9 -1.22236816e+01 8.92536467e-01 -1.04207466e+01 10 8.64288821e-01 2.37955331e+00 -2.32897732e+00 11 -3.84248657e+00 1.36491832e+01 4.93171832e+00 12 -4.71828759e+00 8.66280620e+00 4.42069425e+00 13 8.24381071e+00 3.76910197e+00 -1.62399246e+01 14 7.95842374e+00 4.19602409e+00 -1.11103182e+01 15 1.18726645e+01 -6.85854529e+00 5.33709043e-01 16 -5.55367867e+00 9.04461285e+00 -3.56078100e+00 17 -1.63943003e+01 -1.92617731e+01 1.06114327e+01 18 5.28444144e+00 1.49871613e+01 1.67712440e+01 19 -4.57224482e+00 -5.07127722e+00 6.98898706e+00 20 -4.93121005e+00 -1.29823291e+01 1.52625716e+01 21 7.33522783e+00 -2.08355130e+01 1.00841932e+01 22 1.50616386e+01 1.72235368e+01 -1.01260533e+01 23 2.50883229e+01 -2.52096122e+01 1.31312131e+01 24 -3.03244831e+01 1.04516517e+01 8.92232247e+00 25 -1.11607788e+01 9.68010426e+00 -7.22586302e+00 26 -8.56975469e+00 6.87057439e+00 6.84951922e+00 27 9.93825012e+00 -2.85911324e+00 1.07676027e+01 28 -8.42701875e+00 9.56195084e+00 1.58688028e+00 29 3.31603531e+00 1.58776641e+00 -1.28948515e+00 30 5.97672720e+00 6.46860001e+00 3.68459033e+00 31 6.17903107e+00 1.61987449e+00 4.29875284e+00 32 7.36071742e+00 7.32360017e+00 3.99365813e+00 MIXED STRUCTURE (pbc=True)-- Species = C Ti (Configuration in file "config-T-CTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = -13.944317079616056 Forces: 1 -8.96318592e+00 -4.85528372e-01 -9.75185702e+00 2 1.61299102e+00 -8.40674269e+00 -1.11957483e+01 3 6.67068972e+00 -1.33935263e+01 -1.00346591e+01 4 -1.47398094e+01 6.50226539e+00 -8.35553332e+00 5 1.05525087e+01 -4.53275466e-01 -4.89555895e+00 6 9.89736400e+00 4.21865784e+00 -3.43791280e+00 7 -1.14949738e+01 7.69904630e+00 -1.45987448e-01 8 1.11417403e+01 -1.04491470e+00 1.68993259e+01 9 -9.88903164e+00 -2.40724420e+00 -4.99833617e+00 10 -4.76095411e+00 -1.36879148e+01 3.07988733e+00 11 -2.56297421e+00 1.41550141e+01 5.04370535e+00 12 1.20004424e+00 -9.73903370e+00 5.46215281e+00 13 1.07032468e+01 8.37477886e+00 -1.09127937e+01 14 -1.44681985e+00 -1.21493421e+00 -1.22118660e+01 15 -7.45912545e-01 -1.15951204e+01 7.84912803e+00 16 2.81286225e+00 3.87584414e+00 -8.36600779e-02 17 -1.47226578e+01 -1.26082114e+01 1.84854893e+01 18 3.53934034e+00 1.74735739e+01 2.02048189e+01 19 -9.42131765e+00 1.24712742e+01 -2.30193721e-01 20 -3.94022102e+00 -1.37928941e+01 2.32043963e+00 21 1.58913287e+01 -1.70449862e+01 1.66132627e+00 22 5.42768516e+00 1.32031669e+01 -1.29741798e+01 23 2.44330708e+01 -2.65247461e+01 9.95910699e+00 24 -2.90738822e+01 1.51073091e+01 3.70323607e+00 25 -4.30169010e+00 5.54182935e+00 -5.23934897e+00 26 -1.15747401e+01 1.43893334e+00 2.43533001e+00 27 1.10625816e+01 1.75917405e+00 -9.97599491e+00 28 -3.30100774e+00 1.22229613e+01 -6.18281740e+00 29 2.68187216e+00 2.69466737e+00 3.04027020e+00 30 1.12142792e+00 6.58761513e+00 4.85442632e+00 31 -5.46877916e+00 7.00102543e+00 5.08834534e+00 32 1.76592036e+01 -7.92806402e+00 5.39459358e-01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1812640== Memcheck, a memory error detector ==1812640== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1812640== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1812640== Command: python runner2.py MEAM_LAMMPS_KimLee_2008_TiC__MO_134206624109_001 ==1812640== ==1813922== Warning: invalid file descriptor 1024 in syscall close() ==1813922== Warning: invalid file descriptor 1025 in syscall close() ==1813922== Warning: invalid file descriptor 1026 in syscall close() ==1813922== Warning: invalid file descriptor 1027 in syscall close() ==1813922== Use --log-fd= to select an alternative log fd. ==1813922== Warning: invalid file descriptor 1028 in syscall close() ==1813922== Warning: invalid file descriptor 1029 in syscall close() ==1812640== Mismatched free() / delete / delete [] ==1812640== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812640== by 0x12C78438C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12BEB1F1E: 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) ==1812640== by 0x12BEB2E18: 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) ==1812640== by 0x12BEB7762: 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) ==1812640== by 0x12BE67246: 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) ==1812640== by 0x12BDC76C7: 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) ==1812640== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812640== Address 0xa8fb3a40 is 0 bytes inside a block of size 1,024 alloc'd ==1812640== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812640== by 0x12C783B11: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12BEB1F1E: 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) ==1812640== by 0x12BEB2E18: 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) ==1812640== by 0x12BEB7762: 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) ==1812640== by 0x12BE67246: 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) ==1812640== by 0x12BDC76C7: 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) ==1812640== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812640== ==1812640== Mismatched free() / delete / delete [] ==1812640== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812640== by 0x12C77EDBD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12BEB1F1E: 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) ==1812640== by 0x12BEB2E18: 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) ==1812640== by 0x12BEB7762: 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) ==1812640== by 0x12BE67246: 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) ==1812640== by 0x12BDC76C7: 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) ==1812640== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812640== Address 0xa8f7dc60 is 0 bytes inside a block of size 1,024 alloc'd ==1812640== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812640== by 0x12C77EB9B: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_134206624109_001-1669765231/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812640== by 0x12BEB1F1E: 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) ==1812640== by 0x12BEB2E18: 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) ==1812640== by 0x12BEB7762: 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) ==1812640== by 0x12BE67246: 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) ==1812640== by 0x12BDC76C7: 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) ==1812640== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812640== ==1812640== ==1812640== HEAP SUMMARY: ==1812640== in use at exit: 2,257,671 bytes in 1,702 blocks ==1812640== total heap usage: 93,067 allocs, 91,365 frees, 115,251,010 bytes allocated ==1812640== ==1812640== LEAK SUMMARY: ==1812640== definitely lost: 0 bytes in 0 blocks ==1812640== indirectly lost: 0 bytes in 0 blocks ==1812640== possibly lost: 180,827 bytes in 103 blocks ==1812640== still reachable: 2,076,812 bytes in 1,598 blocks ==1812640== of which reachable via heuristic: ==1812640== stdstring : 38 bytes in 1 blocks ==1812640== suppressed: 32 bytes in 1 blocks ==1812640== Rerun with --leak-check=full to see details of leaked memory ==1812640== ==1812640== For lists of detected and suppressed errors, rerun with: -s ==1812640== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 7928 from 547) ================================================================================ 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.