Enter a model name: === Verification check vc-memory-leak start (2022-11-30 10:16:41) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LeeWirthShim_2005_FeCu__MO_063626065437_001 Supported species : Cu Fe random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.489464810723154 Forces: 1 -7.64672447e-01 -7.04805203e+00 -7.91470908e+00 2 -7.17519608e+00 9.14457610e+00 -3.06775360e+00 3 5.26928160e+00 -2.66189474e+00 -1.87162814e+00 4 -4.52445064e+00 5.19227903e+00 5.40281836e+00 5 4.90766435e+00 -1.39717826e+01 -1.64898202e+00 6 4.30146245e+00 4.86743105e+00 -3.55772802e+00 7 1.09045143e+01 -2.11234285e+01 -2.42635066e+01 8 -1.90806118e+01 -4.96813865e+00 -4.29260388e+00 9 -1.05358526e+01 -5.63991885e+00 -1.29721216e+01 10 -7.29680353e+00 1.98156100e+01 -1.75188951e+01 11 -3.69534496e+00 -1.60137864e+01 1.50306359e+01 12 -7.32928053e+00 1.13090322e+01 3.10946739e+00 13 -2.52831451e+00 -1.13722567e+01 -3.46467269e+01 14 4.83568061e+00 7.40917324e+00 -5.08466275e+00 15 3.14294828e+01 -9.42793906e+00 1.04661275e+01 16 5.20587835e+00 2.15611979e+01 1.14651707e+01 17 -1.18275086e+01 -6.97734292e+00 -5.09173994e+00 18 -3.35318103e+00 1.28091852e+01 -2.22737205e+01 19 3.01982753e+00 -1.63744276e+01 1.09497462e+01 20 -6.74440134e+00 7.57427073e+00 7.87929984e+00 21 -1.96108065e+01 -1.28348308e+01 1.25866418e+01 22 2.08180455e+01 1.75147060e+01 1.35985167e+01 23 5.69001822e+00 -1.01545253e+00 6.55565678e+00 24 1.40463958e+01 3.74185626e+00 1.34524977e+01 25 -3.30782854e+00 -7.93495751e+00 -7.48911377e-01 26 -3.40246066e+00 9.30939036e+00 -9.78513798e+00 27 1.39011175e+01 -2.66479765e+01 5.50529890e+00 28 -2.83710739e+01 2.41522861e+01 1.05500601e+01 29 -7.78172858e+00 -6.79181515e+00 4.71148340e+00 30 6.21573273e+00 9.24982672e+00 3.23427020e+00 31 1.04769506e+01 -6.21671135e+00 6.37474352e+00 32 6.30746386e+00 1.33698911e+01 1.38663925e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.489464810723154 Forces: 1 -7.64672447e-01 -7.04805203e+00 -7.91470908e+00 2 -7.17519608e+00 9.14457610e+00 -3.06775360e+00 3 5.26928160e+00 -2.66189474e+00 -1.87162814e+00 4 -4.52445064e+00 5.19227903e+00 5.40281836e+00 5 4.90766435e+00 -1.39717826e+01 -1.64898202e+00 6 4.30146245e+00 4.86743105e+00 -3.55772802e+00 7 1.09045143e+01 -2.11234285e+01 -2.42635066e+01 8 -1.90806118e+01 -4.96813865e+00 -4.29260388e+00 9 -1.05358526e+01 -5.63991885e+00 -1.29721216e+01 10 -7.29680353e+00 1.98156100e+01 -1.75188951e+01 11 -3.69534496e+00 -1.60137864e+01 1.50306359e+01 12 -7.32928053e+00 1.13090322e+01 3.10946739e+00 13 -2.52831451e+00 -1.13722567e+01 -3.46467269e+01 14 4.83568061e+00 7.40917324e+00 -5.08466275e+00 15 3.14294828e+01 -9.42793906e+00 1.04661275e+01 16 5.20587835e+00 2.15611979e+01 1.14651707e+01 17 -1.18275086e+01 -6.97734292e+00 -5.09173994e+00 18 -3.35318103e+00 1.28091852e+01 -2.22737205e+01 19 3.01982753e+00 -1.63744276e+01 1.09497462e+01 20 -6.74440134e+00 7.57427073e+00 7.87929984e+00 21 -1.96108065e+01 -1.28348308e+01 1.25866418e+01 22 2.08180455e+01 1.75147060e+01 1.35985167e+01 23 5.69001822e+00 -1.01545253e+00 6.55565678e+00 24 1.40463958e+01 3.74185626e+00 1.34524977e+01 25 -3.30782854e+00 -7.93495751e+00 -7.48911377e-01 26 -3.40246066e+00 9.30939036e+00 -9.78513798e+00 27 1.39011175e+01 -2.66479765e+01 5.50529890e+00 28 -2.83710739e+01 2.41522861e+01 1.05500601e+01 29 -7.78172858e+00 -6.79181515e+00 4.71148340e+00 30 6.21573273e+00 9.24982672e+00 3.23427020e+00 31 1.04769506e+01 -6.21671135e+00 6.37474352e+00 32 6.30746386e+00 1.33698911e+01 1.38663925e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -19.516605944091168 Forces: 1 -5.22802731e+00 -1.31751122e+00 -5.18758942e+00 2 -2.17073192e+00 -8.25908077e+00 -1.42565049e+01 3 -4.98577896e+00 -9.15744248e+00 5.27460990e+00 4 -9.60807485e+00 -5.21810355e+00 -2.40073546e+00 5 -3.63279967e+00 -6.42867946e+00 -1.31924735e+01 6 5.78086480e+00 -1.13341852e+01 -1.47627663e+01 7 9.48984197e+00 -3.86840251e+00 7.37196501e+00 8 8.66851877e+00 1.03456248e+00 6.08838356e-01 9 -1.33740208e+01 -1.15446033e-02 -9.69606539e+00 10 -1.06577352e+01 2.04003272e+01 -6.95222711e+00 11 -2.81766650e+00 -2.49347580e+00 -2.76807117e+00 12 -8.40252803e+00 8.96963552e+00 4.42884093e+00 13 1.86319119e+01 -7.95507436e+00 -1.03343769e+01 14 7.56609903e-01 1.14950946e+00 -2.88347866e-01 15 2.99065009e+00 1.72122298e+01 8.36058381e+00 16 2.01979816e+01 9.07735882e+00 -1.37488975e+01 17 -8.01858366e+00 -5.76008392e+00 -5.61356693e+00 18 -3.28312490e+00 -1.45005891e+01 8.04656077e+00 19 1.92258324e-01 -1.70652889e+00 1.84982975e+01 20 -2.87889663e+00 2.03521341e+00 3.43962883e+00 21 1.01136025e+01 -4.07305391e+00 -7.09946200e+00 22 1.07494941e+01 -5.32338739e+00 4.79653864e+00 23 -3.39991236e-01 2.28171350e-01 -1.62094879e-01 24 4.37861391e+00 -6.73275649e+00 1.06988376e+01 25 -1.38900969e+01 3.79874487e+00 1.70496360e+00 26 -1.66968465e+01 1.20372205e+01 1.42000473e+01 27 -8.93550542e+00 -4.97549453e+00 1.03553256e+01 28 -6.25631030e-01 3.11375337e+00 1.45737080e+00 29 1.15430564e+01 9.70665553e+00 1.82977738e+00 30 1.05412226e+00 4.35944036e+00 -6.49699501e+00 31 1.93662382e+00 -3.48012690e+00 7.48468235e+00 32 9.06188913e+00 9.47269835e+00 4.40330585e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -19.516605944091168 Forces: 1 -5.22802731e+00 -1.31751122e+00 -5.18758942e+00 2 -2.17073192e+00 -8.25908077e+00 -1.42565049e+01 3 -4.98577896e+00 -9.15744248e+00 5.27460990e+00 4 -9.60807485e+00 -5.21810355e+00 -2.40073546e+00 5 -3.63279967e+00 -6.42867946e+00 -1.31924735e+01 6 5.78086480e+00 -1.13341852e+01 -1.47627663e+01 7 9.48984197e+00 -3.86840251e+00 7.37196501e+00 8 8.66851877e+00 1.03456248e+00 6.08838356e-01 9 -1.33740208e+01 -1.15446033e-02 -9.69606539e+00 10 -1.06577352e+01 2.04003272e+01 -6.95222711e+00 11 -2.81766650e+00 -2.49347580e+00 -2.76807117e+00 12 -8.40252803e+00 8.96963552e+00 4.42884093e+00 13 1.86319119e+01 -7.95507436e+00 -1.03343769e+01 14 7.56609903e-01 1.14950946e+00 -2.88347866e-01 15 2.99065009e+00 1.72122298e+01 8.36058381e+00 16 2.01979816e+01 9.07735882e+00 -1.37488975e+01 17 -8.01858366e+00 -5.76008392e+00 -5.61356693e+00 18 -3.28312490e+00 -1.45005891e+01 8.04656077e+00 19 1.92258324e-01 -1.70652889e+00 1.84982975e+01 20 -2.87889663e+00 2.03521341e+00 3.43962883e+00 21 1.01136025e+01 -4.07305391e+00 -7.09946200e+00 22 1.07494941e+01 -5.32338739e+00 4.79653864e+00 23 -3.39991236e-01 2.28171350e-01 -1.62094879e-01 24 4.37861391e+00 -6.73275649e+00 1.06988376e+01 25 -1.38900969e+01 3.79874487e+00 1.70496360e+00 26 -1.66968465e+01 1.20372205e+01 1.42000473e+01 27 -8.93550542e+00 -4.97549453e+00 1.03553256e+01 28 -6.25631030e-01 3.11375337e+00 1.45737080e+00 29 1.15430564e+01 9.70665553e+00 1.82977738e+00 30 1.05412226e+00 4.35944036e+00 -6.49699501e+00 31 1.93662382e+00 -3.48012690e+00 7.48468235e+00 32 9.06188913e+00 9.47269835e+00 4.40330585e+00 MIXED STRUCTURE (pbc=False)-- Species = Cu Fe (Configuration in file "config-F-CuFe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 22.328634524886564 Forces: 1 -5.66003882e+00 -1.37434568e+01 -1.66184104e+01 2 -1.59750800e+01 6.32072355e+00 -2.09852234e+01 3 -1.00868011e+00 -2.79169213e+01 -1.14942279e+01 4 -1.94163323e+01 2.50408852e+01 -3.89895088e+00 5 7.64693409e+00 -1.47945851e+01 -1.09853452e+01 6 1.13515970e+01 -2.13707978e+00 -7.25715468e+00 7 4.69112706e+00 -6.39700732e+00 3.42455619e+00 8 2.53109651e+01 1.05402320e+01 -2.86837728e-01 9 -5.80304277e+00 -2.17193699e+00 -5.08966388e+00 10 5.69882717e+00 3.36087767e+00 -6.96197238e+00 11 -1.00822776e+01 4.46610583e+00 -1.29575184e+01 12 -7.24852379e+00 3.84835339e+00 5.54283816e+00 13 -3.78898302e+00 1.25396670e+01 -1.12705745e+01 14 2.03127711e+01 5.24291684e+00 -1.88411010e+01 15 9.53004955e+00 -5.06731695e+00 -4.57910518e+00 16 -1.54201153e+01 9.83200637e+00 1.42697771e+01 17 -1.79299884e+01 -1.76257010e+01 1.21984440e+01 18 -4.76795126e+00 1.51606620e+01 2.30547072e+01 19 3.54319382e+00 -7.61780323e+00 1.25350002e+01 20 -1.33245470e+01 -1.76311645e+01 2.09199458e+01 21 1.63537320e+01 -2.62835519e+01 1.10613011e+01 22 2.47235583e+01 1.49147431e+01 -3.01634102e+01 23 1.43831272e+01 -2.16299143e+01 1.31927357e+01 24 -3.04136090e+01 8.16280522e+00 2.51853268e+01 25 -1.24128501e+01 1.17002258e+01 -1.73905695e+01 26 -9.01297103e+00 1.57182739e+01 5.29636721e+00 27 1.48850282e+01 7.17462573e+00 6.96288900e+00 28 -2.75824708e+00 3.81274851e+00 2.93952191e+00 29 8.82659708e+00 -4.97144664e+00 9.51984570e+00 30 3.75999484e+00 1.67771432e+01 -5.74312457e+00 31 9.29894240e-01 -1.02509742e+01 1.30042108e+01 32 3.07584093e+00 3.62586465e+00 5.41572299e+00 MIXED STRUCTURE (pbc=True)-- Species = Cu Fe (Configuration in file "config-T-CuFe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 47.305590677625574 Forces: 1 -3.95693650e+00 -2.86930783e+00 -2.70603252e+01 2 -1.16341027e+01 -3.01099966e-01 -6.63072413e+00 3 1.48643189e+00 -1.89384060e+01 -7.65494105e+00 4 -6.99441356e+00 3.10462414e+01 -9.95603803e-01 5 1.01112290e+01 -4.77013724e+00 -7.22725059e+00 6 7.96300313e+00 -1.03387016e+00 -4.35123103e+00 7 -1.32135514e+01 -3.25374607e+00 9.83055786e+00 8 2.59291745e+01 9.90786851e+00 -3.76773291e-01 9 -3.96275325e+00 -1.96168937e+00 -1.91950696e+00 10 8.38929741e+00 -1.11525613e+01 -1.22706103e+00 11 -9.53503925e+00 3.92512383e+00 -1.22844447e+01 12 -4.75371125e+00 -1.06923552e+01 8.88060389e+00 13 7.85089214e-01 1.17612949e+01 -4.26232898e+00 14 1.87582075e+01 -5.44353217e-02 -1.82283412e+01 15 3.29122010e+00 -5.68864500e+00 -3.15437151e+00 16 -1.47945500e+01 -2.27921041e-01 1.38557084e+01 17 -1.43156968e+01 -1.26165211e+01 1.52098886e+01 18 -4.65160174e+00 1.61137347e+01 2.27004628e+01 19 -5.48825286e+00 7.48181372e+00 4.04914945e+00 20 -1.33588150e+01 -1.77102042e+01 1.42724715e+01 21 1.69604489e+01 -2.13324920e+01 1.16790825e+01 22 2.13369535e+01 1.52110063e+01 -3.20542447e+01 23 1.29885877e+01 -2.08838877e+01 1.40491880e+01 24 -3.15367348e+01 7.66890964e+00 2.16836966e+01 25 -6.68589811e+00 1.09542577e+01 -1.64824993e+01 26 -9.10974967e+00 1.02611442e+01 3.68893058e+00 27 1.05395464e+01 1.35051774e+01 -9.29434208e+00 28 4.80764944e+00 6.62207484e+00 2.69947164e+00 29 8.00426391e+00 -5.29946810e+00 9.32185382e+00 30 -4.17981831e+00 1.56557885e+01 -7.96756376e+00 31 -6.47492026e+00 -1.32346708e+01 9.27683058e+00 32 1.32954426e+01 -8.09301708e+00 -2.63430750e-02 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1274365== Memcheck, a memory error detector ==1274365== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1274365== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1274365== Command: python runner2.py MEAM_LAMMPS_LeeWirthShim_2005_FeCu__MO_063626065437_001 ==1274365== ==1275649== Warning: invalid file descriptor 1024 in syscall close() ==1275649== Warning: invalid file descriptor 1025 in syscall close() ==1275649== Warning: invalid file descriptor 1026 in syscall close() ==1275649== Warning: invalid file descriptor 1027 in syscall close() ==1275649== Use --log-fd= to select an alternative log fd. ==1275649== Warning: invalid file descriptor 1028 in syscall close() ==1275649== Warning: invalid file descriptor 1029 in syscall close() ==1274365== Mismatched free() / delete / delete [] ==1274365== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274365== by 0x12C78438C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== 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) ==1274365== 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) ==1274365== 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) ==1274365== 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) ==1274365== 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) ==1274365== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274365== Address 0xa8f7c580 is 0 bytes inside a block of size 1,024 alloc'd ==1274365== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274365== by 0x12C783B11: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== 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) ==1274365== 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) ==1274365== 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) ==1274365== 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) ==1274365== 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) ==1274365== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274365== ==1274365== Mismatched free() / delete / delete [] ==1274365== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274365== by 0x12C77EDBD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== 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) ==1274365== 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) ==1274365== 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) ==1274365== 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) ==1274365== 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) ==1274365== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274365== Address 0xa8f7d810 is 0 bytes inside a block of size 1,024 alloc'd ==1274365== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274365== by 0x12C77EB9B: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_063626065437_001-1669765234/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274365== 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) ==1274365== 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) ==1274365== 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) ==1274365== 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) ==1274365== 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) ==1274365== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274365== ==1274365== ==1274365== HEAP SUMMARY: ==1274365== in use at exit: 2,257,671 bytes in 1,702 blocks ==1274365== total heap usage: 93,062 allocs, 91,360 frees, 115,229,534 bytes allocated ==1274365== ==1274365== LEAK SUMMARY: ==1274365== definitely lost: 0 bytes in 0 blocks ==1274365== indirectly lost: 0 bytes in 0 blocks ==1274365== possibly lost: 180,827 bytes in 103 blocks ==1274365== still reachable: 2,076,812 bytes in 1,598 blocks ==1274365== of which reachable via heuristic: ==1274365== stdstring : 38 bytes in 1 blocks ==1274365== suppressed: 32 bytes in 1 blocks ==1274365== Rerun with --leak-check=full to see details of leaked memory ==1274365== ==1274365== For lists of detected and suppressed errors, rerun with: -s ==1274365== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 7931 from 543) ================================================================================ 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. === Verification check vc-memory-leak end (2022-11-30 10:17:31) ===