!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! VERIFICATION CHECK: vc-memory-leak !!!!! !!!!! !!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Description: Check that the model has no memory leaks. This is tested using the Valgrind memory debugging tool (http://valgrind.org) by performing a series of energy and force calculations on a randomly distorted face-centered cubic (FCC) cube base structure for both non-periodic and periodic boundary conditions. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. Configurations used for testing are provided as auxiliary files. Author: Ellad Tadmor and Daniel S. Karls ----------------------------------------------------------------------------------------------------- Results for KIM Model : MEAM_LAMMPS_ChoiKimSeol_2017_CrMn__MO_671124822359_001 Supported species : Cr Mn random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cr (Configuration in file "config-F-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 61.201913559140195 Forces: 1 -5.75772616e+00 -9.43455534e+00 -1.50813337e+01 2 -8.62025917e+00 1.17672997e+01 -9.61784627e+00 3 1.84336285e+00 -7.73571345e+00 1.17435886e+01 4 -8.03033969e+00 6.98845976e+00 6.03663163e+00 5 3.03287437e+00 -2.19435024e+01 -1.05011330e+01 6 1.45709330e+01 2.16985582e+01 -3.00793424e+01 7 7.71108866e+00 -6.10457097e+01 -2.08401501e+01 8 -2.41310527e+01 -1.75646034e+01 -2.34785038e+00 9 -1.36229353e+01 -1.38065663e+01 -2.43077884e+01 10 -1.04859795e+01 2.86077859e+01 -2.98447995e+01 11 -7.84272840e+00 -2.33067858e+01 1.64345075e+01 12 -1.31827717e+01 2.00227029e+01 1.12332404e+01 13 -9.76622604e+00 -2.10508422e+01 -6.34037368e+01 14 1.03760126e+01 1.44287941e+01 -9.45865478e+00 15 5.74120628e+01 -1.00655134e+01 2.09282729e+01 16 9.00187339e+00 4.11740301e+01 2.20347751e+01 17 -1.70190666e+01 -1.20857994e+01 -9.76561066e+00 18 7.51858483e+00 1.36848807e+01 -1.44899711e+01 19 7.93099262e+00 -1.61399445e+01 1.48660970e+01 20 -8.31762121e+00 9.85022368e+00 1.09426317e+01 21 -2.51327711e+01 -1.63454021e+01 8.18175245e+00 22 3.29202518e+01 4.32352595e+01 3.82241959e+01 23 8.08748417e+00 -1.50687878e-01 1.12831839e+01 24 4.82631191e+00 -5.25359984e+00 9.10404360e+00 25 -9.99377649e+00 -4.81526970e+00 3.83874479e+00 26 -9.68174452e+00 2.07778971e+01 -1.35714451e+01 27 2.84748753e+01 -5.35097244e+01 1.45562176e+01 28 -5.04632279e+01 4.40273102e+01 8.13924909e+00 29 -1.11036461e+01 -8.20973701e+00 8.61307987e+00 30 8.65921339e+00 1.48332913e+01 1.58206554e+00 31 1.98890226e+01 -9.18069145e+00 1.44519110e+01 32 1.08969282e+01 2.05481549e+01 2.11154736e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cr (Configuration in file "config-T-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 61.201913559140195 Forces: 1 -5.75772616e+00 -9.43455534e+00 -1.50813337e+01 2 -8.62025917e+00 1.17672997e+01 -9.61784627e+00 3 1.84336285e+00 -7.73571345e+00 1.17435886e+01 4 -8.03033969e+00 6.98845976e+00 6.03663163e+00 5 3.03287437e+00 -2.19435024e+01 -1.05011330e+01 6 1.45709330e+01 2.16985582e+01 -3.00793424e+01 7 7.71108866e+00 -6.10457097e+01 -2.08401501e+01 8 -2.41310527e+01 -1.75646034e+01 -2.34785038e+00 9 -1.36229353e+01 -1.38065663e+01 -2.43077884e+01 10 -1.04859795e+01 2.86077859e+01 -2.98447995e+01 11 -7.84272840e+00 -2.33067858e+01 1.64345075e+01 12 -1.31827717e+01 2.00227029e+01 1.12332404e+01 13 -9.76622604e+00 -2.10508422e+01 -6.34037368e+01 14 1.03760126e+01 1.44287941e+01 -9.45865478e+00 15 5.74120628e+01 -1.00655134e+01 2.09282729e+01 16 9.00187339e+00 4.11740301e+01 2.20347751e+01 17 -1.70190666e+01 -1.20857994e+01 -9.76561066e+00 18 7.51858483e+00 1.36848807e+01 -1.44899711e+01 19 7.93099262e+00 -1.61399445e+01 1.48660970e+01 20 -8.31762121e+00 9.85022368e+00 1.09426317e+01 21 -2.51327711e+01 -1.63454021e+01 8.18175245e+00 22 3.29202518e+01 4.32352595e+01 3.82241959e+01 23 8.08748417e+00 -1.50687878e-01 1.12831839e+01 24 4.82631191e+00 -5.25359984e+00 9.10404360e+00 25 -9.99377649e+00 -4.81526970e+00 3.83874479e+00 26 -9.68174452e+00 2.07778971e+01 -1.35714451e+01 27 2.84748753e+01 -5.35097244e+01 1.45562176e+01 28 -5.04632279e+01 4.40273102e+01 8.13924909e+00 29 -1.11036461e+01 -8.20973701e+00 8.61307987e+00 30 8.65921339e+00 1.48332913e+01 1.58206554e+00 31 1.98890226e+01 -9.18069145e+00 1.44519110e+01 32 1.08969282e+01 2.05481549e+01 2.11154736e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Mn (Configuration in file "config-F-Mn.xyz") ----------------------------------------------------------------------------------------------------- Energy = -9.880126665276393 Forces: 1 -4.84372477e+00 -1.89754340e+00 -1.20897514e+00 2 -5.76670582e+00 -2.54584815e+00 -1.01525604e+01 3 -5.08072678e+00 -1.27648553e+01 -4.12868356e+00 4 -6.20316981e+00 -4.46009693e+00 -2.79551719e+00 5 2.27450543e+00 -7.55924497e+00 -5.04663744e+00 6 6.47554224e+00 -4.77682190e-02 -3.50478539e+00 7 2.86704728e+00 -2.58602179e+00 9.40407832e-01 8 1.16541586e+01 9.35095913e-01 4.44668126e+00 9 -2.17387248e+00 2.29848693e-01 -2.75936094e+00 10 -1.95539669e+00 3.96942687e+00 -6.00623309e+00 11 -9.08993923e-01 -1.88623046e+00 -2.26657722e+00 12 -8.31443294e+00 8.91149309e+00 8.76780753e-01 13 2.95205995e+00 7.31740443e+00 -8.85140782e+00 14 3.69685277e+00 1.61769806e+00 -3.17418398e+00 15 5.71415085e+00 2.44609180e+00 -2.15423868e+00 16 2.64291810e+00 6.99113210e+00 1.20583310e+00 17 -8.16503911e+00 -7.88532966e+00 -3.86602939e+00 18 -1.21860738e+00 1.46110288e+00 4.63479727e+00 19 4.82174700e+00 -5.24484910e+00 8.36574572e+00 20 -5.26651518e+00 5.28952325e+00 5.53085097e+00 21 4.28743653e+00 -3.61994548e+00 2.81747924e+00 22 3.33381793e+00 -3.46456221e+00 1.06686573e+00 23 1.55655089e+00 -1.38607208e+00 1.02547103e+00 24 3.56328938e+00 -5.53512134e+00 8.06795956e+00 25 -5.11340357e+00 -4.32599147e-02 4.49340927e+00 26 -2.24179548e+00 8.80913021e+00 -1.63670686e+00 27 -9.50223581e+00 -1.14103562e+00 1.14069683e+01 28 -4.47254891e-01 1.94785942e+00 1.82282839e+00 29 3.16494364e+00 1.16630885e+00 -8.20527717e+00 30 1.35414066e+00 1.86552915e+00 -4.95319589e-03 31 2.81159786e+00 -3.60654875e-02 2.09123859e+00 32 4.03111553e+00 9.14620534e+00 6.96881054e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mn (Configuration in file "config-T-Mn.xyz") ----------------------------------------------------------------------------------------------------- Energy = -9.880126665276393 Forces: 1 -4.84372477e+00 -1.89754340e+00 -1.20897514e+00 2 -5.76670582e+00 -2.54584815e+00 -1.01525604e+01 3 -5.08072678e+00 -1.27648553e+01 -4.12868356e+00 4 -6.20316981e+00 -4.46009693e+00 -2.79551719e+00 5 2.27450543e+00 -7.55924497e+00 -5.04663744e+00 6 6.47554224e+00 -4.77682190e-02 -3.50478539e+00 7 2.86704728e+00 -2.58602179e+00 9.40407832e-01 8 1.16541586e+01 9.35095913e-01 4.44668126e+00 9 -2.17387248e+00 2.29848693e-01 -2.75936094e+00 10 -1.95539669e+00 3.96942687e+00 -6.00623309e+00 11 -9.08993923e-01 -1.88623046e+00 -2.26657722e+00 12 -8.31443294e+00 8.91149309e+00 8.76780753e-01 13 2.95205995e+00 7.31740443e+00 -8.85140782e+00 14 3.69685277e+00 1.61769806e+00 -3.17418398e+00 15 5.71415085e+00 2.44609180e+00 -2.15423868e+00 16 2.64291810e+00 6.99113210e+00 1.20583310e+00 17 -8.16503911e+00 -7.88532966e+00 -3.86602939e+00 18 -1.21860738e+00 1.46110288e+00 4.63479727e+00 19 4.82174700e+00 -5.24484910e+00 8.36574572e+00 20 -5.26651518e+00 5.28952325e+00 5.53085097e+00 21 4.28743653e+00 -3.61994548e+00 2.81747924e+00 22 3.33381793e+00 -3.46456221e+00 1.06686573e+00 23 1.55655089e+00 -1.38607208e+00 1.02547103e+00 24 3.56328938e+00 -5.53512134e+00 8.06795956e+00 25 -5.11340357e+00 -4.32599147e-02 4.49340927e+00 26 -2.24179548e+00 8.80913021e+00 -1.63670686e+00 27 -9.50223581e+00 -1.14103562e+00 1.14069683e+01 28 -4.47254891e-01 1.94785942e+00 1.82282839e+00 29 3.16494364e+00 1.16630885e+00 -8.20527717e+00 30 1.35414066e+00 1.86552915e+00 -4.95319589e-03 31 2.81159786e+00 -3.60654875e-02 2.09123859e+00 32 4.03111553e+00 9.14620534e+00 6.96881054e+00 MIXED STRUCTURE (pbc=False)-- Species = Cr Mn (Configuration in file "config-F-CrMn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 51.852267173961465 Forces: 1 -1.17776848e+01 -1.27983631e+01 -1.64505546e+01 2 -5.84656698e+00 6.46303828e+00 -2.64917230e+01 3 9.35310582e+00 -3.24736720e+01 -4.41297789e+00 4 -3.86128652e+01 1.69768761e+01 1.69777571e+00 5 1.20861035e+01 -1.62842910e+01 -1.50638184e+01 6 3.07446921e+01 -1.19263090e+01 -1.24961594e+01 7 3.08066312e+00 -7.03040714e+00 -3.19115849e+00 8 6.00565687e+00 -3.80631708e+00 2.82962917e+01 9 -1.41408351e+01 -1.26287224e+01 -6.97007690e+00 10 8.93360513e+00 1.48562093e+01 -4.24568881e+00 11 -2.79756531e+00 4.19308430e+00 -3.00451940e+00 12 -9.81558801e+00 8.85839434e+00 -3.01720182e-01 13 -7.99958836e+00 2.49474710e+01 -2.53190481e+01 14 9.84071491e+00 3.84583191e+00 -4.99159786e+00 15 1.02331729e+01 3.60587839e+00 9.41284833e-01 16 -1.63502657e+00 1.85929259e+01 -1.40227537e+01 17 -1.15769932e+01 -9.04903163e+00 1.52414894e+01 18 4.66974736e+00 8.14105259e+00 1.20487417e+01 19 -1.26643504e+00 -9.47168952e+00 7.27076695e+00 20 -5.13472819e+00 -4.72175953e+00 8.51431937e+00 21 4.01515840e+00 -9.26943715e+00 1.41150889e+00 22 4.17624939e+01 2.91730770e+01 -5.45513023e+01 23 2.44003188e+01 -3.98622548e+01 2.64209114e+01 24 -5.32088365e+01 1.20435166e+01 4.27369278e+01 25 -1.87084456e+01 -1.25614025e+00 -2.13601524e+00 26 -1.18072147e+01 2.36166355e+01 1.34298175e+01 27 6.25048320e+00 4.82488268e-01 8.26353705e+00 28 -1.88650272e+00 4.33725692e+00 4.30050980e+00 29 1.08049657e+01 -2.08279676e+01 8.77988936e+00 30 9.28288107e+00 2.13489635e+01 -9.25544967e+00 31 2.83230727e+00 -1.29586293e+01 2.00387730e+01 32 1.91880615e+00 2.88229161e+00 3.51201921e+00 MIXED STRUCTURE (pbc=True)-- Species = Cr Mn (Configuration in file "config-T-CrMn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 92.87440760668075 Forces: 1 -1.60954218e+01 4.58418436e-01 -1.80726870e+01 2 -4.71678976e+00 5.33576354e+00 -1.71443476e+01 3 1.22740664e+01 -1.84409009e+01 2.38271295e+00 4 -3.37722509e+01 2.17589169e+01 4.59975570e+00 5 1.95795548e+01 -9.88968264e+00 -1.06931349e+01 6 2.85002387e+01 -1.23512569e+01 -1.44224141e+01 7 -5.80536844e-01 -1.72945766e+00 -4.23305385e+00 8 5.10838331e+00 -3.24530932e+00 2.97323196e+01 9 -1.26084164e+01 -9.29829736e+00 2.93635708e+00 10 6.54718522e+00 -1.21201905e+01 -7.48424149e+00 11 -2.05446313e+00 3.61946789e+00 -2.02165839e+00 12 -8.21686237e+00 4.61152376e-01 3.33791520e+00 13 -5.80495040e+00 2.32748532e+01 -1.72102446e+01 14 9.32489485e+00 4.22352346e+00 -5.49516548e+00 15 5.82930905e+00 2.72422145e+00 1.81922386e+00 16 -2.13326375e+00 6.70019293e+00 -1.30712209e+01 17 -6.59265733e+00 -5.27040857e+00 1.64392177e+01 18 4.92787743e+00 7.16824338e+00 1.20840222e+01 19 -7.67928283e+00 4.71115325e+00 -1.46707891e+00 20 -9.06748954e+00 -5.45142269e+00 4.74121487e+00 21 3.72114533e+00 -3.31697433e+00 1.29245454e+00 22 3.73307339e+01 2.87000545e+01 -5.27658764e+01 23 2.07059746e+01 -3.48556375e+01 2.95059514e+01 24 -5.26606134e+01 1.49678446e+01 3.85694699e+01 25 -1.06827159e+01 -4.45156590e+00 -4.78276971e+00 26 -1.00264926e+01 1.48711545e+01 9.49077399e+00 27 8.37746573e+00 1.67540089e+00 -3.82792706e+00 28 -4.48059944e+00 5.38365480e+00 -3.79392918e+00 29 1.08512910e+01 -2.16285707e+01 9.83933713e+00 30 4.90819550e+00 1.67424797e+01 -8.48386591e+00 31 -2.36911427e+00 -1.29763270e+01 1.71441421e+01 32 1.15556048e+01 -7.75049389e+00 1.05474740e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1445677== Memcheck, a memory error detector ==1445677== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1445677== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1445677== Command: python runner2.py MEAM_LAMMPS_ChoiKimSeol_2017_CrMn__MO_671124822359_001 ==1445677== ==1446366== Warning: invalid file descriptor 1024 in syscall close() ==1446366== Warning: invalid file descriptor 1025 in syscall close() ==1446366== Warning: invalid file descriptor 1026 in syscall close() ==1446366== Warning: invalid file descriptor 1027 in syscall close() ==1446366== Use --log-fd= to select an alternative log fd. ==1446366== Warning: invalid file descriptor 1028 in syscall close() ==1446366== Warning: invalid file descriptor 1029 in syscall close() ==1445677== Mismatched free() / delete / delete [] ==1445677== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1445677== by 0x12C78438C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== 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) ==1445677== 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) ==1445677== 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) ==1445677== 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) ==1445677== 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) ==1445677== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1445677== Address 0xa8f7c4d0 is 0 bytes inside a block of size 1,024 alloc'd ==1445677== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1445677== by 0x12C783B11: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== 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) ==1445677== 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) ==1445677== 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) ==1445677== 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) ==1445677== 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) ==1445677== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1445677== ==1445677== Mismatched free() / delete / delete [] ==1445677== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1445677== by 0x12C77EDBD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== 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) ==1445677== 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) ==1445677== 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) ==1445677== 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) ==1445677== 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) ==1445677== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1445677== Address 0xa8f7d760 is 0 bytes inside a block of size 1,024 alloc'd ==1445677== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1445677== by 0x12C77EB9B: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_671124822359_001-1669765228/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445677== 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) ==1445677== 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) ==1445677== 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) ==1445677== 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) ==1445677== 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) ==1445677== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1445677== ==1445677== ==1445677== HEAP SUMMARY: ==1445677== in use at exit: 2,257,671 bytes in 1,702 blocks ==1445677== total heap usage: 93,062 allocs, 91,360 frees, 115,252,599 bytes allocated ==1445677== ==1445677== LEAK SUMMARY: ==1445677== definitely lost: 0 bytes in 0 blocks ==1445677== indirectly lost: 0 bytes in 0 blocks ==1445677== possibly lost: 180,827 bytes in 103 blocks ==1445677== still reachable: 2,076,812 bytes in 1,598 blocks ==1445677== of which reachable via heuristic: ==1445677== stdstring : 38 bytes in 1 blocks ==1445677== suppressed: 32 bytes in 1 blocks ==1445677== Rerun with --leak-check=full to see details of leaked memory ==1445677== ==1445677== For lists of detected and suppressed errors, rerun with: -s ==1445677== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 7932 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.