!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimShinLee_2009_FeMn__MO_058735400462_001 Supported species : Fe Mn random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -2.8025143964956034 Forces: 1 -5.34259516e+00 -5.58284573e+00 -8.66926910e+00 2 -5.51118880e+00 9.29800556e+00 -5.22872961e+00 3 1.83244201e+00 -6.64801638e+00 5.16254570e+00 4 -4.75130818e+00 5.38941934e+00 3.12182955e+00 5 -1.32817315e-01 -1.55009208e+01 -2.72772490e+00 6 9.96344673e+00 7.58333526e+00 -7.91993323e+00 7 5.60022814e+00 -2.42570445e+01 -1.98461996e+01 8 -1.13112670e+01 -1.13616021e+01 -4.00329793e+00 9 -2.40178227e+00 -1.13410898e+01 -1.24021422e+01 10 -3.70569601e+00 1.03798513e+01 -1.38091878e+01 11 -7.64290822e+00 -6.42140605e+00 -9.68929420e+00 12 -8.27488007e+00 1.05425078e+01 1.05358033e+01 13 -9.40124849e+00 -1.09246118e+01 -3.25034928e+01 14 5.83844063e+00 7.58673263e+00 -4.92062466e+00 15 3.05583454e+01 -9.76230565e+00 3.88008891e+00 16 2.99108838e+00 2.49399129e+01 7.90446565e+00 17 -9.38993418e+00 -6.53124123e+00 -4.79684320e+00 18 4.00705602e+00 2.32349313e+00 2.11027991e+00 19 4.32362382e+00 -7.62752648e+00 5.94902354e+00 20 -3.59372652e+00 5.22180237e+00 5.39546513e+00 21 -9.80161143e+00 -7.98796992e+00 6.61320675e+00 22 1.65936256e+01 1.81404459e+01 1.97107030e+01 23 2.12632691e+00 -5.69721743e-01 3.44198035e+00 24 1.34940653e+00 1.70139749e+00 2.94038792e+00 25 -1.71175632e+01 -5.27354470e+00 -4.92752505e+00 26 -4.93106997e+00 1.89231618e+01 -5.38107386e+00 27 1.35666913e+01 -2.62222171e+01 1.37893507e+01 28 -2.21820958e+01 2.15209731e+01 7.24816858e+00 29 -1.57423388e+00 -6.89308671e+00 1.16827740e+01 30 8.14778610e+00 1.33919099e+01 8.02727890e+00 31 1.24417038e+01 -4.84169367e+00 7.52354547e+00 32 7.72571513e+00 1.08038960e+01 1.17884408e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -2.8025143964956034 Forces: 1 -5.34259516e+00 -5.58284573e+00 -8.66926910e+00 2 -5.51118880e+00 9.29800556e+00 -5.22872961e+00 3 1.83244201e+00 -6.64801638e+00 5.16254570e+00 4 -4.75130818e+00 5.38941934e+00 3.12182955e+00 5 -1.32817315e-01 -1.55009208e+01 -2.72772490e+00 6 9.96344673e+00 7.58333526e+00 -7.91993323e+00 7 5.60022814e+00 -2.42570445e+01 -1.98461996e+01 8 -1.13112670e+01 -1.13616021e+01 -4.00329793e+00 9 -2.40178227e+00 -1.13410898e+01 -1.24021422e+01 10 -3.70569601e+00 1.03798513e+01 -1.38091878e+01 11 -7.64290822e+00 -6.42140605e+00 -9.68929420e+00 12 -8.27488007e+00 1.05425078e+01 1.05358033e+01 13 -9.40124849e+00 -1.09246118e+01 -3.25034928e+01 14 5.83844063e+00 7.58673263e+00 -4.92062466e+00 15 3.05583454e+01 -9.76230565e+00 3.88008891e+00 16 2.99108838e+00 2.49399129e+01 7.90446565e+00 17 -9.38993418e+00 -6.53124123e+00 -4.79684320e+00 18 4.00705602e+00 2.32349313e+00 2.11027991e+00 19 4.32362382e+00 -7.62752648e+00 5.94902354e+00 20 -3.59372652e+00 5.22180237e+00 5.39546513e+00 21 -9.80161143e+00 -7.98796992e+00 6.61320675e+00 22 1.65936256e+01 1.81404459e+01 1.97107030e+01 23 2.12632691e+00 -5.69721743e-01 3.44198035e+00 24 1.34940653e+00 1.70139749e+00 2.94038792e+00 25 -1.71175632e+01 -5.27354470e+00 -4.92752505e+00 26 -4.93106997e+00 1.89231618e+01 -5.38107386e+00 27 1.35666913e+01 -2.62222171e+01 1.37893507e+01 28 -2.21820958e+01 2.15209731e+01 7.24816858e+00 29 -1.57423388e+00 -6.89308671e+00 1.16827740e+01 30 8.14778610e+00 1.33919099e+01 8.02727890e+00 31 1.24417038e+01 -4.84169367e+00 7.52354547e+00 32 7.72571513e+00 1.08038960e+01 1.17884408e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Mn (Configuration in file "config-F-Mn.xyz") ----------------------------------------------------------------------------------------------------- Energy = -12.7609455998722 Forces: 1 -4.24107923e+00 -4.20149229e+00 -1.99234982e+00 2 -2.21200020e+00 -5.80594948e+00 -1.29167118e+01 3 -1.41613073e+00 -7.20499881e+00 1.34207659e+00 4 -1.34532097e+01 -4.70249955e+00 1.43782587e+00 5 3.53419253e+00 -6.58342218e+00 -6.64584283e+00 6 3.92992790e+00 -1.02847953e+00 -1.75463755e+00 7 3.30716046e+00 -2.26453805e+00 -6.53978625e-01 8 9.08016686e+00 -3.04956374e+00 5.74327591e+00 9 -7.09632565e+00 3.83679996e+00 -5.78490435e+00 10 -2.86552014e+00 7.58721701e+00 -3.62460880e+00 11 2.72081797e+00 9.95950819e+00 2.71620506e+00 12 -6.64792344e+00 7.89100816e+00 -1.26264570e+01 13 3.82968187e+00 1.43477140e+00 -1.04200933e+01 14 3.90813610e+00 2.04260678e+00 -3.62275334e+00 15 6.22566468e+00 -2.27790416e-01 5.75424365e-01 16 5.16399362e-01 6.84277613e+00 2.77528286e+00 17 -4.96777692e+00 -4.20577280e+00 -4.91609034e+00 18 3.80301587e-01 -4.63527733e+00 6.82699801e-02 19 4.14854561e+00 -4.47045154e+00 4.72105863e+00 20 -4.59979716e+00 1.34304444e+00 7.08282341e+00 21 1.22807407e+00 -2.29943812e+00 3.59175203e+00 22 4.10171879e+00 -1.04745365e+00 -8.18466073e-01 23 2.02602471e+00 -2.59198211e+00 1.95936825e+00 24 -7.92423364e-01 -3.24636824e-01 3.40156339e+00 25 -1.15959133e+01 -6.24892350e+00 5.50711043e+00 26 8.96494942e+00 1.13362556e+01 3.15566595e+00 27 1.07052483e+00 8.07910924e-01 6.94184537e+00 28 -5.90676197e+00 2.69442351e+00 8.19420940e+00 29 3.66943632e+00 1.62125071e+00 3.68079067e+00 30 3.07229076e+00 2.80422296e+00 -3.05030131e+00 31 3.21627568e+00 -2.39676399e+00 2.96817393e+00 32 -3.13542778e+00 3.08763809e+00 2.96447305e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mn (Configuration in file "config-T-Mn.xyz") ----------------------------------------------------------------------------------------------------- Energy = -12.7609455998722 Forces: 1 -4.24107923e+00 -4.20149229e+00 -1.99234982e+00 2 -2.21200020e+00 -5.80594948e+00 -1.29167118e+01 3 -1.41613073e+00 -7.20499881e+00 1.34207659e+00 4 -1.34532097e+01 -4.70249955e+00 1.43782587e+00 5 3.53419253e+00 -6.58342218e+00 -6.64584283e+00 6 3.92992790e+00 -1.02847953e+00 -1.75463755e+00 7 3.30716046e+00 -2.26453805e+00 -6.53978625e-01 8 9.08016686e+00 -3.04956374e+00 5.74327591e+00 9 -7.09632565e+00 3.83679996e+00 -5.78490435e+00 10 -2.86552014e+00 7.58721701e+00 -3.62460880e+00 11 2.72081797e+00 9.95950819e+00 2.71620506e+00 12 -6.64792344e+00 7.89100816e+00 -1.26264570e+01 13 3.82968187e+00 1.43477140e+00 -1.04200933e+01 14 3.90813610e+00 2.04260678e+00 -3.62275334e+00 15 6.22566468e+00 -2.27790416e-01 5.75424365e-01 16 5.16399362e-01 6.84277613e+00 2.77528286e+00 17 -4.96777692e+00 -4.20577280e+00 -4.91609034e+00 18 3.80301587e-01 -4.63527733e+00 6.82699801e-02 19 4.14854561e+00 -4.47045154e+00 4.72105863e+00 20 -4.59979716e+00 1.34304444e+00 7.08282341e+00 21 1.22807407e+00 -2.29943812e+00 3.59175203e+00 22 4.10171879e+00 -1.04745365e+00 -8.18466073e-01 23 2.02602471e+00 -2.59198211e+00 1.95936825e+00 24 -7.92423364e-01 -3.24636824e-01 3.40156339e+00 25 -1.15959133e+01 -6.24892350e+00 5.50711043e+00 26 8.96494942e+00 1.13362556e+01 3.15566595e+00 27 1.07052483e+00 8.07910924e-01 6.94184537e+00 28 -5.90676197e+00 2.69442351e+00 8.19420940e+00 29 3.66943632e+00 1.62125071e+00 3.68079067e+00 30 3.07229076e+00 2.80422296e+00 -3.05030131e+00 31 3.21627568e+00 -2.39676399e+00 2.96817393e+00 32 -3.13542778e+00 3.08763809e+00 2.96447305e+00 MIXED STRUCTURE (pbc=False)-- Species = Fe Mn (Configuration in file "config-F-FeMn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 17.274194539194553 Forces: 1 -2.70766253e+01 -3.29730563e+01 -1.31524043e+01 2 2.25279779e+01 2.41972477e+01 -1.57331224e+01 3 -2.50206991e+00 -1.38023080e+01 4.77065347e+00 4 -1.30088666e+01 8.40367358e+00 1.53477630e+01 5 8.37607668e+00 -4.12134688e+00 -8.94609395e+00 6 3.96848523e+00 -2.33767823e-01 -2.81477444e+00 7 4.66943825e+00 -3.29885629e+00 -7.96317275e-01 8 3.82256837e+00 -3.03799106e+00 -2.02316543e+00 9 -5.28332236e+00 4.16216383e+00 -5.56705577e+00 10 -6.79010523e+00 4.79615983e+00 -9.63805261e+00 11 -7.69390578e+00 -7.95250529e+00 -2.12700195e+00 12 -1.20803712e+01 5.36276147e+00 -4.34532966e+00 13 2.92287809e+00 -4.47027499e+00 -1.51598399e+01 14 5.55502155e+00 4.28113016e+00 -3.51506888e+00 15 6.85579740e+00 -2.89259289e-01 9.95747880e-01 16 1.00872755e+01 1.75005519e+01 -1.34284039e+00 17 -1.36201970e+01 -1.86539282e+01 -7.21333974e+00 18 8.60658311e+00 1.18977995e+01 -1.60868042e+01 19 9.68720872e+00 -1.48685421e+01 1.72845572e+01 20 -1.76838614e+01 5.44432594e+00 2.56426048e+01 21 7.57304023e+00 -1.41854141e+01 3.40875177e+00 22 1.53689660e+01 2.27221705e+00 -9.68380866e+00 23 2.67901222e+00 -3.98946094e+00 4.07213867e+00 24 -7.29066118e+00 -8.71177896e-01 1.27109830e+01 25 -1.71693261e+01 6.42852554e+00 -1.36687689e+01 26 -1.07796769e+01 1.82926349e+01 9.47118397e+00 27 8.44989485e+00 -1.27988418e+00 1.74211026e+01 28 -4.62227642e+00 5.12679364e+00 2.31668415e+00 29 9.62780428e+00 -5.14232798e+00 4.66646314e+00 30 4.69339436e+00 3.60430787e+00 -1.19628691e+00 31 3.77424922e+00 2.51681391e+00 6.81473524e+00 32 6.35559344e+00 4.88299452e+00 8.08670642e+00 MIXED STRUCTURE (pbc=True)-- Species = Fe Mn (Configuration in file "config-T-FeMn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 36.33093703195059 Forces: 1 -1.55265377e+01 -2.75911382e+01 -1.65702074e+01 2 1.39626124e+01 1.64253661e+01 -8.67635244e+00 3 -3.89154524e+00 -1.32361318e+00 6.14254201e+00 4 1.89964221e+00 1.46956469e+01 1.87478096e+01 5 8.21524115e+00 3.12897509e+00 -7.80870669e+00 6 -9.22693447e+00 -9.01097020e-01 -4.47228054e+00 7 -5.91526228e+00 -7.08954275e+00 2.05236203e+00 8 3.16264242e+00 -2.42906596e+00 -1.57725555e+00 9 4.00311419e+00 6.54262465e+00 1.06835767e+00 10 -5.96941554e+00 3.44931038e+00 -4.27252681e+00 11 -6.43352366e+00 -7.16920562e+00 -2.87503311e+00 12 -9.35427547e+00 3.57360128e+00 -4.71154206e+00 13 1.88459001e+00 -5.50229767e+00 -1.31264735e+01 14 7.20653400e+00 1.66130551e+00 -4.75943821e+00 15 6.10068976e-01 -7.32384052e-01 3.83771116e+00 16 1.33441525e+01 2.54869648e+00 -9.24687686e-02 17 -1.15212770e+01 -1.80875686e+01 -3.96680058e+00 18 1.00119392e+01 1.23581172e+01 -1.71606634e+01 19 1.26176825e+01 -1.37769013e+01 1.32410509e+01 20 -1.28739838e+01 3.06539392e+00 1.95282922e+01 21 8.32790498e+00 -8.64208039e+00 4.49593028e+00 22 7.39909636e+00 1.50085906e+00 -9.97194870e+00 23 -3.85833814e-01 -5.41675322e+00 2.64690416e+00 24 -8.30014596e+00 -3.38950202e-01 8.73637195e+00 25 -7.41243368e+00 5.68692688e+00 -1.85722108e+01 26 -1.06542248e+01 1.28559034e+01 8.98977824e+00 27 1.04339164e+01 -3.10184789e+00 1.07461072e+01 28 -4.43380763e+00 6.98250767e+00 1.84085162e+00 29 9.52135748e+00 -5.71055430e+00 6.25126887e+00 30 9.98945935e-02 4.43486289e+00 -1.78157140e+00 31 -7.88581788e+00 5.46241028e+00 5.70014483e+00 32 7.08462965e+00 3.44049268e+00 6.36999713e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1812648== Memcheck, a memory error detector ==1812648== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1812648== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1812648== Command: python runner2.py MEAM_LAMMPS_KimShinLee_2009_FeMn__MO_058735400462_001 ==1812648== ==1813930== Warning: invalid file descriptor 1024 in syscall close() ==1813930== Warning: invalid file descriptor 1025 in syscall close() ==1813930== Warning: invalid file descriptor 1026 in syscall close() ==1813930== Warning: invalid file descriptor 1027 in syscall close() ==1813930== Use --log-fd= to select an alternative log fd. ==1813930== Warning: invalid file descriptor 1028 in syscall close() ==1813930== Warning: invalid file descriptor 1029 in syscall close() ==1812648== Mismatched free() / delete / delete [] ==1812648== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812648== by 0x12C78038C: 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_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12C65354D: 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_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12C654C83: 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_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12C63DDE7: 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_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12C6415CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12BEADF1E: 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) ==1812648== by 0x12BEAEE18: 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) ==1812648== by 0x12BEB3762: 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) ==1812648== by 0x12BE63246: 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) ==1812648== by 0x12BDC36C7: 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) ==1812648== by 0x12BDD917B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812648== Address 0xa8f7c510 is 0 bytes inside a block of size 1,024 alloc'd ==1812648== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812648== by 0x12C77FB11: 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_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12C65354D: 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_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12C654C83: 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_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12C63DDE7: 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_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12C6415CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12BEADF1E: 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) ==1812648== by 0x12BEAEE18: 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) ==1812648== by 0x12BEB3762: 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) ==1812648== by 0x12BE63246: 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) ==1812648== by 0x12BDC36C7: 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) ==1812648== by 0x12BDD917B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812648== ==1812648== Mismatched free() / delete / delete [] ==1812648== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812648== by 0x12C77ADBD: 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_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12C653578: 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_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12C654C83: 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_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12C63DDE7: 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_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12C6415CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12BEADF1E: 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) ==1812648== by 0x12BEAEE18: 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) ==1812648== by 0x12BEB3762: 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) ==1812648== by 0x12BE63246: 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) ==1812648== by 0x12BDC36C7: 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) ==1812648== by 0x12BDD917B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812648== Address 0xa8f7d7a0 is 0 bytes inside a block of size 1,024 alloc'd ==1812648== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812648== by 0x12C77AB9B: 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_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12C653578: 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_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12C654C83: 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_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12C63DDE7: 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_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12C6415CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_058735400462_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812648== by 0x12BEADF1E: 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) ==1812648== by 0x12BEAEE18: 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) ==1812648== by 0x12BEB3762: 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) ==1812648== by 0x12BE63246: 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) ==1812648== by 0x12BDC36C7: 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) ==1812648== by 0x12BDD917B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812648== ==1812648== ==1812648== HEAP SUMMARY: ==1812648== in use at exit: 2,257,687 bytes in 1,702 blocks ==1812648== total heap usage: 93,291 allocs, 91,589 frees, 115,182,449 bytes allocated ==1812648== ==1812648== LEAK SUMMARY: ==1812648== definitely lost: 0 bytes in 0 blocks ==1812648== indirectly lost: 0 bytes in 0 blocks ==1812648== possibly lost: 180,827 bytes in 103 blocks ==1812648== still reachable: 2,076,828 bytes in 1,598 blocks ==1812648== of which reachable via heuristic: ==1812648== stdstring : 38 bytes in 1 blocks ==1812648== suppressed: 32 bytes in 1 blocks ==1812648== Rerun with --leak-check=full to see details of leaked memory ==1812648== ==1812648== For lists of detected and suppressed errors, rerun with: -s ==1812648== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 7939 from 546) ================================================================================ 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.