!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_WangOhLee_2020_CuCo__MO_849011491644_001 Supported species : Co Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Co (Configuration in file "config-F-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -47.6187618057657 Forces: 1 -3.15759830e+00 -9.15148239e+00 -9.45755697e+00 2 -2.65478483e+00 3.65027398e+00 -3.46478386e+00 3 4.73041150e+00 -4.75678487e+00 -7.63670845e-01 4 -3.49718868e+00 1.06995503e+01 7.64724388e+00 5 2.28977584e+00 -6.15993088e+00 -8.11765414e-01 6 2.24136586e+00 2.06236145e+00 -2.68336362e+00 7 3.75374839e+00 -1.58341304e+01 -1.38065371e+01 8 -1.44519230e+01 -1.48322243e+01 -1.98803215e+00 9 -4.69377274e+00 -2.21980714e+00 -5.09429488e+00 10 -4.88752498e+00 8.66337769e+00 -9.22817396e+00 11 -5.53343254e+00 -7.12226309e+00 2.28187997e+00 12 -3.51688324e+00 6.22230028e+00 -2.53897134e+00 13 -1.54162631e+00 -4.74403636e+00 -2.12139221e+01 14 3.24344011e+00 3.25494865e+00 -1.02695065e+00 15 2.44907476e+01 7.62032628e+00 1.96224383e+00 16 7.20869216e+00 1.64100619e+01 6.66487684e+00 17 -6.07811493e+00 -2.97317819e+00 -4.84677832e-01 18 2.32150101e-01 7.81460242e+00 -8.45752720e+00 19 -4.16202648e-01 -1.13061289e+01 5.90789276e+00 20 -4.03307856e+00 3.00399387e+00 3.53371067e+00 21 -5.68865702e+00 -6.20239095e+00 3.76535609e+00 22 1.14322718e+01 1.03917276e+01 1.19402956e+01 23 1.72790617e+00 -3.07970951e-01 3.36812887e+00 24 4.76187437e+00 3.65368002e+00 6.53062728e+00 25 -7.11609595e+00 -5.88818176e+00 2.87071315e+00 26 -4.19482148e+00 1.07330760e+01 -4.28784942e+00 27 6.36389718e+00 -1.67994389e+01 7.53052815e+00 28 -1.31692969e+01 1.16571571e+01 2.73089209e+00 29 -2.86185868e+00 -3.40455441e+00 6.20292782e+00 30 3.62216417e+00 6.95211792e+00 -4.66682896e+00 31 6.57530061e+00 -8.56220189e+00 9.11982940e+00 32 4.81911498e+00 7.47515003e+00 7.91775999e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Co (Configuration in file "config-T-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -47.6187618057657 Forces: 1 -3.15759830e+00 -9.15148239e+00 -9.45755697e+00 2 -2.65478483e+00 3.65027398e+00 -3.46478386e+00 3 4.73041150e+00 -4.75678487e+00 -7.63670845e-01 4 -3.49718868e+00 1.06995503e+01 7.64724388e+00 5 2.28977584e+00 -6.15993088e+00 -8.11765414e-01 6 2.24136586e+00 2.06236145e+00 -2.68336362e+00 7 3.75374839e+00 -1.58341304e+01 -1.38065371e+01 8 -1.44519230e+01 -1.48322243e+01 -1.98803215e+00 9 -4.69377274e+00 -2.21980714e+00 -5.09429488e+00 10 -4.88752498e+00 8.66337769e+00 -9.22817396e+00 11 -5.53343254e+00 -7.12226309e+00 2.28187997e+00 12 -3.51688324e+00 6.22230028e+00 -2.53897134e+00 13 -1.54162631e+00 -4.74403636e+00 -2.12139221e+01 14 3.24344011e+00 3.25494865e+00 -1.02695065e+00 15 2.44907476e+01 7.62032628e+00 1.96224383e+00 16 7.20869216e+00 1.64100619e+01 6.66487684e+00 17 -6.07811493e+00 -2.97317819e+00 -4.84677832e-01 18 2.32150101e-01 7.81460242e+00 -8.45752720e+00 19 -4.16202648e-01 -1.13061289e+01 5.90789276e+00 20 -4.03307856e+00 3.00399387e+00 3.53371067e+00 21 -5.68865702e+00 -6.20239095e+00 3.76535609e+00 22 1.14322718e+01 1.03917276e+01 1.19402956e+01 23 1.72790617e+00 -3.07970951e-01 3.36812887e+00 24 4.76187437e+00 3.65368002e+00 6.53062728e+00 25 -7.11609595e+00 -5.88818176e+00 2.87071315e+00 26 -4.19482148e+00 1.07330760e+01 -4.28784942e+00 27 6.36389718e+00 -1.67994389e+01 7.53052815e+00 28 -1.31692969e+01 1.16571571e+01 2.73089209e+00 29 -2.86185868e+00 -3.40455441e+00 6.20292782e+00 30 3.62216417e+00 6.95211792e+00 -4.66682896e+00 31 6.57530061e+00 -8.56220189e+00 9.11982940e+00 32 4.81911498e+00 7.47515003e+00 7.91775999e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1.233055915767551 Forces: 1 -9.88422924e+00 -5.25098978e+00 -1.10459362e+01 2 -8.69683693e+00 7.72639665e+00 -1.65517411e+01 3 4.10818569e+00 -9.76435679e+00 1.42863623e+01 4 -7.38719666e+00 1.36828732e+00 -8.81971540e+00 5 1.48284925e+01 -1.21487004e+01 -9.98610756e+00 6 7.97347423e+00 -1.98608709e+01 -1.11595588e+01 7 6.03515734e+00 -1.66241498e+01 -1.59098593e+01 8 5.17506265e+00 4.30594716e+00 4.25014436e+00 9 -1.32089735e+01 -2.88612499e+00 -5.83991658e+00 10 3.76318208e+00 9.94692728e+00 -7.14938254e+00 11 9.49634944e-01 3.65779704e+00 1.01613771e+01 12 -1.70025793e+00 5.65040465e+00 -1.15281675e+00 13 -9.27296958e+00 6.95107130e+00 -1.06115055e+01 14 3.46361389e+00 2.61871156e+00 -1.00749543e+00 15 8.32941064e+00 1.49442248e+01 1.37793621e+01 16 1.03241416e+01 2.60159509e+00 -9.41265398e+00 17 -4.99056858e+00 -3.32641321e+00 9.58862801e+00 18 1.16533337e+00 -1.15139863e-01 4.87043692e+00 19 -3.23883390e+00 -1.42903070e+00 1.59544872e+00 20 -2.12384923e+00 -4.96235724e+00 6.87249850e+00 21 -9.93859843e+00 -7.90856409e+00 8.03318539e+00 22 1.35677581e+01 1.59433464e+01 7.18567563e+00 23 2.61099819e+00 -3.54441619e+00 5.14724609e+00 24 -1.41090493e+01 -1.54223912e+01 1.47049687e+01 25 -6.27817246e+00 7.16831638e+00 2.53348644e+00 26 -1.92313777e+01 6.19152806e+00 -1.02823422e+01 27 -2.04276321e+01 -2.64203959e+01 2.25043635e+01 28 -4.59044424e+00 2.87377075e+00 1.77353604e+00 29 -3.74753391e+00 -1.00341416e+01 -2.85444848e+01 30 3.48144847e+01 1.56472052e+01 -1.93135160e+01 31 1.63327879e+01 4.97292083e+00 1.03172236e+01 32 5.38480572e+00 2.71295922e+01 2.91830889e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1.233055915767551 Forces: 1 -9.88422924e+00 -5.25098978e+00 -1.10459362e+01 2 -8.69683693e+00 7.72639665e+00 -1.65517411e+01 3 4.10818569e+00 -9.76435679e+00 1.42863623e+01 4 -7.38719666e+00 1.36828732e+00 -8.81971540e+00 5 1.48284925e+01 -1.21487004e+01 -9.98610756e+00 6 7.97347423e+00 -1.98608709e+01 -1.11595588e+01 7 6.03515734e+00 -1.66241498e+01 -1.59098593e+01 8 5.17506265e+00 4.30594716e+00 4.25014436e+00 9 -1.32089735e+01 -2.88612499e+00 -5.83991658e+00 10 3.76318208e+00 9.94692728e+00 -7.14938254e+00 11 9.49634944e-01 3.65779704e+00 1.01613771e+01 12 -1.70025793e+00 5.65040465e+00 -1.15281675e+00 13 -9.27296958e+00 6.95107130e+00 -1.06115055e+01 14 3.46361389e+00 2.61871156e+00 -1.00749543e+00 15 8.32941064e+00 1.49442248e+01 1.37793621e+01 16 1.03241416e+01 2.60159509e+00 -9.41265398e+00 17 -4.99056858e+00 -3.32641321e+00 9.58862801e+00 18 1.16533337e+00 -1.15139863e-01 4.87043692e+00 19 -3.23883390e+00 -1.42903070e+00 1.59544872e+00 20 -2.12384923e+00 -4.96235724e+00 6.87249850e+00 21 -9.93859843e+00 -7.90856409e+00 8.03318539e+00 22 1.35677581e+01 1.59433464e+01 7.18567563e+00 23 2.61099819e+00 -3.54441619e+00 5.14724609e+00 24 -1.41090493e+01 -1.54223912e+01 1.47049687e+01 25 -6.27817246e+00 7.16831638e+00 2.53348644e+00 26 -1.92313777e+01 6.19152806e+00 -1.02823422e+01 27 -2.04276321e+01 -2.64203959e+01 2.25043635e+01 28 -4.59044424e+00 2.87377075e+00 1.77353604e+00 29 -3.74753391e+00 -1.00341416e+01 -2.85444848e+01 30 3.48144847e+01 1.56472052e+01 -1.93135160e+01 31 1.63327879e+01 4.97292083e+00 1.03172236e+01 32 5.38480572e+00 2.71295922e+01 2.91830889e+01 MIXED STRUCTURE (pbc=False)-- Species = Co Cu (Configuration in file "config-F-CoCu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 48.60470564539794 Forces: 1 -1.32439974e+01 -7.67455470e+00 -1.70014498e+01 2 -1.35612294e+01 -1.20391645e+01 -2.11136009e+01 3 2.35096219e+01 -2.30041746e+01 2.73496242e+00 4 -2.04431791e+01 1.49587826e+01 -2.32596776e+00 5 -1.33811210e+01 -8.37473436e+00 -1.57745959e+01 6 1.24627531e+01 6.16472952e+00 -2.08988836e+01 7 1.58992534e+01 -1.57879008e+01 1.78857673e+01 8 -1.70559113e+01 -3.29761293e+01 1.58711377e+01 9 -1.37952821e+01 -7.30891774e+00 -9.88807900e+00 10 8.69705181e+00 7.73664043e+00 -6.06628394e+00 11 -1.43568771e+01 7.39057438e+00 2.14545620e+01 12 -4.69426442e+01 2.10873054e+01 -4.65329428e+01 13 1.71787475e+01 2.25603122e+01 -4.19986722e+01 14 5.33559436e+00 6.84023595e+00 -6.58525535e+00 15 3.96996972e+01 2.20995281e+01 1.30399291e+01 16 -1.42120990e+01 6.66334513e+00 -1.36170785e+01 17 -1.81029105e+01 -1.79030967e+01 5.65881470e+00 18 1.49654766e+01 1.31951820e+01 5.01709188e+00 19 2.10053325e+00 -3.99650672e+00 6.23691293e+00 20 -6.92679631e+00 4.49300721e+00 9.08783484e+00 21 -4.22841872e+00 -9.93767971e+00 -6.31302205e+00 22 1.87704654e+01 9.37580011e+00 -1.18953403e+01 23 5.99848454e+00 -1.26111866e+01 1.35013792e+01 24 -7.56907718e+00 -6.46360902e+00 2.25910705e+01 25 -1.16778705e+01 -2.04630572e+01 1.68238464e+01 26 4.34135496e+01 1.67397692e+01 3.88317992e+01 27 -2.38999810e+01 -2.00037967e+01 8.24925209e+00 28 -3.46365870e+00 3.79651994e+00 4.42239717e+00 29 -6.61227935e+00 4.31828889e+00 -7.97630598e+00 30 1.48712113e+01 1.23150373e+01 -1.54991845e+00 31 1.16898220e+01 -8.34626903e+00 1.55637250e+01 32 1.48810710e+01 2.71557194e+01 1.25669140e+01 MIXED STRUCTURE (pbc=True)-- Species = Co Cu (Configuration in file "config-T-CoCu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 61.46981653310916 Forces: 1 -1.32001070e+01 -8.86229802e+00 -1.35917656e+01 2 -1.14145755e+01 -7.60740051e+00 -1.30122667e+01 3 2.31483740e+01 -1.50860424e+01 6.73192240e+00 4 -8.39669261e+00 1.76150336e+01 -2.73350559e+00 5 -1.21636486e+01 -6.52789490e+00 -1.25147988e+01 6 9.35434050e+00 7.85131282e+00 -2.00066565e+01 7 8.50154097e+00 -1.90739175e+01 1.65894849e+01 8 -1.57163894e+01 -3.46595904e+01 1.65863194e+01 9 -1.21945900e+01 -8.14728732e+00 -8.76764058e+00 10 6.79145860e+00 6.88509618e+00 2.29271445e+00 11 -1.35154300e+01 7.17114439e+00 2.23076044e+01 12 -5.27349507e+01 1.43864563e+01 -5.28574232e+01 13 1.54093305e+01 2.08266261e+01 -3.63930157e+01 14 5.50882441e+00 7.92419930e+00 -3.47670429e+00 15 3.47167811e+01 2.32011958e+01 1.29397456e+01 16 -1.13163498e+01 -6.38261879e-01 -1.37832906e+01 17 -7.07204574e+00 -2.35646645e+01 4.27537757e+00 18 1.65009241e+01 1.33293336e+01 4.44778860e+00 19 4.50294960e+00 -6.35948901e+00 -2.04422324e+00 20 -9.28090809e-01 7.05340832e+00 1.03318619e+01 21 -6.32701410e+00 2.06838482e+00 -2.26181231e+00 22 -1.99928320e+00 1.60201831e+01 -1.44537217e+01 23 4.14043349e+00 -1.39408678e+01 1.40782973e+01 24 -8.36884737e+00 -6.85137528e+00 1.67530011e+01 25 -8.52824706e+00 -2.01603542e+01 1.55724044e+01 26 4.83436980e+01 1.22724447e+01 4.35487830e+01 27 -1.99898656e+01 -1.61398169e+01 3.26631127e+00 28 -2.19070711e+00 4.22962228e+00 2.72848637e+00 29 -7.12879927e+00 4.07665581e+00 -9.08929722e+00 30 1.04047752e+01 7.74019928e+00 -4.23415605e+00 31 9.82850881e+00 -7.85835322e+00 1.12821828e+01 32 1.60336947e+01 2.28263174e+01 5.48799263e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==273131== Memcheck, a memory error detector ==273131== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==273131== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==273131== Command: python runner2.py MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_001 ==273131== ==275344== Warning: invalid file descriptor 255988 in syscall close() ==275344== Warning: invalid file descriptor 255989 in syscall close() ==275344== Warning: invalid file descriptor 255990 in syscall close() ==275344== Warning: invalid file descriptor 255991 in syscall close() ==275344== Use --log-fd= to select an alternative log fd. ==275344== Warning: invalid file descriptor 255992 in syscall close() ==275344== Warning: invalid file descriptor 255993 in syscall close() ==273131== Mismatched free() / delete / delete [] ==273131== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==273131== by 0x119D6E39C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x119C4154D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x119C42C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x119C2BDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x119C2F5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x44A01F1E: 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) ==273131== by 0x44A02E18: 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) ==273131== by 0x44A07762: 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) ==273131== by 0x449B7246: 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) ==273131== by 0x4260A4C7: 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) ==273131== by 0x4261E2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==273131== Address 0x57ee62d0 is 0 bytes inside a block of size 1,024 alloc'd ==273131== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==273131== by 0x119D6DB21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x119C4154D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x119C42C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x119C2BDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x119C2F5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x44A01F1E: 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) ==273131== by 0x44A02E18: 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) ==273131== by 0x44A07762: 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) ==273131== by 0x449B7246: 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) ==273131== by 0x4260A4C7: 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) ==273131== by 0x4261E2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==273131== ==273131== Mismatched free() / delete / delete [] ==273131== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==273131== by 0x119D68DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x119C41578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x119C42C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x119C2BDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x119C2F5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x44A01F1E: 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) ==273131== by 0x44A02E18: 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) ==273131== by 0x44A07762: 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) ==273131== by 0x449B7246: 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) ==273131== by 0x4260A4C7: 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) ==273131== by 0x4261E2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==273131== Address 0x57ee7560 is 0 bytes inside a block of size 1,024 alloc'd ==273131== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==273131== by 0x119D68BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x119C41578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x119C42C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x119C2BDE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x119C2F5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-101e5837-5c25-4d1f-a658-a1729f3bd6e0-007-fa692d81-3fd5-4554-878e-1ab31f5c1e66/VC_561022993723_003-and-MO_849011491644_001-1657580589/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==273131== by 0x44A01F1E: 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) ==273131== by 0x44A02E18: 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) ==273131== by 0x44A07762: 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) ==273131== by 0x449B7246: 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) ==273131== by 0x4260A4C7: 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) ==273131== by 0x4261E2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==273131== ==273131== ==273131== HEAP SUMMARY: ==273131== in use at exit: 2,203,191 bytes in 1,644 blocks ==273131== total heap usage: 95,346 allocs, 93,702 frees, 120,120,862 bytes allocated ==273131== ==273131== LEAK SUMMARY: ==273131== definitely lost: 0 bytes in 0 blocks ==273131== indirectly lost: 0 bytes in 0 blocks ==273131== possibly lost: 198,622 bytes in 101 blocks ==273131== still reachable: 2,004,537 bytes in 1,542 blocks ==273131== suppressed: 32 bytes in 1 blocks ==273131== Rerun with --leak-check=full to see details of leaked memory ==273131== ==273131== For lists of detected and suppressed errors, rerun with: -s ==273131== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9257 from 555) ================================================================================ 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.