!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_EtesamiBaskesLaradji_2018_PbSn__MO_162736908871_001 Supported species : Pb Sn random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pb (Configuration in file "config-F-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 719.278568209 Forces: 1 -1.12074542e+01 -2.63094168e+01 -2.94143662e+01 2 -2.62420321e+01 2.27800399e+01 -5.07273767e+01 3 3.66372521e+00 -4.60375459e+01 -3.20719418e+00 4 -4.27410689e+01 1.22802139e+01 1.02764759e+01 5 2.69701308e+01 -5.53564798e+01 -1.30011631e+01 6 2.07582914e+01 6.02676822e-01 -2.93282147e+01 7 1.55420748e+01 -6.33863574e+01 -4.43551337e+01 8 -1.94423667e+01 -2.75904849e+01 -3.71580989e+00 9 -4.19582156e+01 -1.18355903e+01 -5.17042692e+01 10 -1.33341236e+01 8.26113454e+01 -5.41986416e+01 11 -2.75132618e+01 -5.50458636e+01 2.24336206e+01 12 -4.70299774e+01 5.46830355e+01 6.04535281e+00 13 1.84884612e+01 -2.67336431e+01 -8.51681553e+01 14 3.64177838e+01 3.26382150e+01 -3.69268448e+01 15 9.43289110e+01 -3.48296321e+01 -1.65235233e+01 16 -1.62917011e+01 9.48996132e+01 1.64965827e+01 17 -5.60943476e+01 -3.22929331e+01 -1.42073335e+01 18 1.55617941e+01 2.89343661e+01 -2.04664428e+01 19 4.94171463e+00 -5.51414269e+01 4.27715388e+01 20 -3.26000433e+01 2.13847196e+01 3.52937737e+01 21 -2.64711089e+01 -5.99138100e+01 1.47281641e+01 22 8.21036061e+01 5.23695604e+01 4.12743215e+01 23 1.66849518e+01 -1.11100807e+01 2.85141615e+01 24 2.15635583e+01 1.23840659e+01 3.79872108e+01 25 -2.63470691e+01 -1.19661295e+01 1.35195106e+01 26 -8.24262277e+00 4.75916693e+01 -2.84025099e+01 27 2.14949501e+01 -6.10364532e+01 4.15601975e+01 28 -7.78702504e+01 6.07996978e+01 3.16433233e+01 29 -2.52696887e+01 -3.12626541e+01 1.19893841e+01 30 5.76849362e+01 4.95207865e+01 3.98046524e+01 31 4.27962362e+01 -1.47470542e+01 2.75683702e+01 32 1.96542066e+01 5.11155502e+01 5.94403382e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pb (Configuration in file "config-T-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 719.278568209 Forces: 1 -1.12074542e+01 -2.63094168e+01 -2.94143662e+01 2 -2.62420321e+01 2.27800399e+01 -5.07273767e+01 3 3.66372521e+00 -4.60375459e+01 -3.20719418e+00 4 -4.27410689e+01 1.22802139e+01 1.02764759e+01 5 2.69701308e+01 -5.53564798e+01 -1.30011631e+01 6 2.07582914e+01 6.02676822e-01 -2.93282147e+01 7 1.55420748e+01 -6.33863574e+01 -4.43551337e+01 8 -1.94423667e+01 -2.75904849e+01 -3.71580989e+00 9 -4.19582156e+01 -1.18355903e+01 -5.17042692e+01 10 -1.33341236e+01 8.26113454e+01 -5.41986416e+01 11 -2.75132618e+01 -5.50458636e+01 2.24336206e+01 12 -4.70299774e+01 5.46830355e+01 6.04535281e+00 13 1.84884612e+01 -2.67336431e+01 -8.51681553e+01 14 3.64177838e+01 3.26382150e+01 -3.69268448e+01 15 9.43289110e+01 -3.48296321e+01 -1.65235233e+01 16 -1.62917011e+01 9.48996132e+01 1.64965827e+01 17 -5.60943476e+01 -3.22929331e+01 -1.42073335e+01 18 1.55617941e+01 2.89343661e+01 -2.04664428e+01 19 4.94171463e+00 -5.51414269e+01 4.27715388e+01 20 -3.26000433e+01 2.13847196e+01 3.52937737e+01 21 -2.64711089e+01 -5.99138100e+01 1.47281641e+01 22 8.21036061e+01 5.23695604e+01 4.12743215e+01 23 1.66849518e+01 -1.11100807e+01 2.85141615e+01 24 2.15635583e+01 1.23840659e+01 3.79872108e+01 25 -2.63470691e+01 -1.19661295e+01 1.35195106e+01 26 -8.24262277e+00 4.75916693e+01 -2.84025099e+01 27 2.14949501e+01 -6.10364532e+01 4.15601975e+01 28 -7.78702504e+01 6.07996978e+01 3.16433233e+01 29 -2.52696887e+01 -3.12626541e+01 1.19893841e+01 30 5.76849362e+01 4.95207865e+01 3.98046524e+01 31 4.27962362e+01 -1.47470542e+01 2.75683702e+01 32 1.96542066e+01 5.11155502e+01 5.94403382e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Sn (Configuration in file "config-F-Sn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 2143.7787073171635 Forces: 1 -6.93104239e+01 -1.08742194e+02 -3.75428954e+01 2 2.28507998e+02 -1.76891623e+01 -1.68077870e+02 3 -1.81462497e+02 -2.89130759e+02 -1.85756256e+02 4 -1.02222585e+02 -3.24835702e+01 2.28700769e+02 5 -4.03204897e+01 -1.22170219e+02 -2.08905551e+02 6 1.19337213e+02 3.92310314e+01 -9.62546081e+01 7 1.55436232e+02 -1.28746364e+02 2.89109565e+01 8 2.83093838e+01 2.14636781e+02 -3.27794542e+01 9 -1.52796675e+02 1.38081038e+02 -1.48625996e+02 10 5.43009338e+01 1.34399455e+02 -1.91863556e+02 11 1.78921612e+01 -1.37255921e+02 4.09938400e+01 12 -2.25826711e+02 1.47741596e+02 6.44974311e+01 13 -4.67559048e+01 -1.55328895e+01 -1.04468955e+02 14 6.19745148e+01 5.13865733e+01 -2.45548929e+01 15 1.62827856e+02 -5.03631830e+01 -1.24344251e+02 16 -6.35708075e+01 6.74223664e+01 2.09328785e+01 17 -1.33214248e+02 -2.08962283e+02 -1.19096965e+02 18 -8.73962206e+00 9.29391443e+01 -5.19727926e+01 19 2.69928121e+01 -4.81598482e+01 8.02713007e+01 20 -8.52497037e+01 8.68023056e+01 2.39331339e+02 21 9.55121065e+01 -6.13027423e+01 3.32496088e+02 22 8.38015730e+01 -9.93082625e-01 1.84401561e+01 23 5.62906051e+01 -4.72334225e+01 4.15557078e+01 24 -4.59564623e+01 2.01400247e+01 3.14029104e+01 25 -6.40352575e+01 -9.21782014e+00 -1.06849816e+02 26 9.94431555e+01 1.05488107e+02 -4.04997275e+01 27 9.35309828e+01 -5.41966356e+01 1.58869997e+02 28 -1.00985972e+02 9.36546402e+01 8.64728316e+01 29 -1.24587227e+02 -5.46017868e+01 2.08048720e+01 30 1.57181276e+02 1.29850352e+02 -2.07458284e+00 31 1.22386443e+02 -1.06714298e+02 1.65815531e+02 32 -1.18690660e+02 1.71722767e+02 8.41715601e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Sn (Configuration in file "config-T-Sn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 2143.7787073171635 Forces: 1 -6.93104239e+01 -1.08742194e+02 -3.75428954e+01 2 2.28507998e+02 -1.76891623e+01 -1.68077870e+02 3 -1.81462497e+02 -2.89130759e+02 -1.85756256e+02 4 -1.02222585e+02 -3.24835702e+01 2.28700769e+02 5 -4.03204897e+01 -1.22170219e+02 -2.08905551e+02 6 1.19337213e+02 3.92310314e+01 -9.62546081e+01 7 1.55436232e+02 -1.28746364e+02 2.89109565e+01 8 2.83093838e+01 2.14636781e+02 -3.27794542e+01 9 -1.52796675e+02 1.38081038e+02 -1.48625996e+02 10 5.43009338e+01 1.34399455e+02 -1.91863556e+02 11 1.78921612e+01 -1.37255921e+02 4.09938400e+01 12 -2.25826711e+02 1.47741596e+02 6.44974311e+01 13 -4.67559048e+01 -1.55328895e+01 -1.04468955e+02 14 6.19745148e+01 5.13865733e+01 -2.45548929e+01 15 1.62827856e+02 -5.03631830e+01 -1.24344251e+02 16 -6.35708075e+01 6.74223664e+01 2.09328785e+01 17 -1.33214248e+02 -2.08962283e+02 -1.19096965e+02 18 -8.73962206e+00 9.29391443e+01 -5.19727926e+01 19 2.69928121e+01 -4.81598482e+01 8.02713007e+01 20 -8.52497037e+01 8.68023056e+01 2.39331339e+02 21 9.55121065e+01 -6.13027423e+01 3.32496088e+02 22 8.38015730e+01 -9.93082625e-01 1.84401561e+01 23 5.62906051e+01 -4.72334225e+01 4.15557078e+01 24 -4.59564623e+01 2.01400247e+01 3.14029104e+01 25 -6.40352575e+01 -9.21782014e+00 -1.06849816e+02 26 9.94431555e+01 1.05488107e+02 -4.04997275e+01 27 9.35309828e+01 -5.41966356e+01 1.58869997e+02 28 -1.00985972e+02 9.36546402e+01 8.64728316e+01 29 -1.24587227e+02 -5.46017868e+01 2.08048720e+01 30 1.57181276e+02 1.29850352e+02 -2.07458284e+00 31 1.22386443e+02 -1.06714298e+02 1.65815531e+02 32 -1.18690660e+02 1.71722767e+02 8.41715601e+01 MIXED STRUCTURE (pbc=False)-- Species = Pb Sn (Configuration in file "config-F-PbSn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1828.5777752407203 Forces: 1 -2.65308886e+02 -2.52656660e+02 -2.65040966e+01 2 2.42096539e+02 2.47966409e+02 -2.19565425e+02 3 -8.19286964e+01 -1.18832498e+02 2.09077127e+02 4 -1.16162415e+02 3.64949882e+01 6.92124613e+01 5 1.24805983e+02 -8.12397150e+01 -1.97291945e+02 6 8.67443765e+01 -3.67155461e+00 -1.12904423e+02 7 1.97580517e+02 -1.29925272e+02 -5.25947962e+01 8 -3.23153223e+01 -8.14138686e+01 3.32633750e+01 9 -1.02365782e+02 1.49742683e+01 -3.22325500e+01 10 -1.12283628e+02 1.07875059e+02 -1.92559810e+02 11 -4.75816334e+01 -2.30540858e+02 -1.23013094e+02 12 -9.42759671e+01 1.38956740e+02 -3.38417539e+01 13 6.84380257e+01 -4.34330321e+01 -2.00650943e+02 14 4.49218041e+01 4.09177242e+01 -4.21950829e+01 15 9.45482556e+01 4.57084843e+01 2.65380422e+01 16 1.30083548e+02 2.56956795e+02 6.61152931e+01 17 -1.97971552e+02 -2.93561538e+02 -1.44915918e+02 18 7.02634068e+01 1.36159462e+02 -1.45729788e+02 19 1.63943612e+02 -2.10175293e+02 1.68996343e+02 20 -1.57785029e+02 2.24169587e+02 1.89224561e+02 21 -1.08154009e+02 -1.01033191e+02 1.51655535e+01 22 1.65615975e+02 1.16982168e+02 -1.29934317e+02 23 6.64041734e+01 -1.07627024e+02 1.13368847e+02 24 -1.16208068e+02 5.94645392e+01 2.12166172e+02 25 -1.43451951e+02 -4.37151301e+01 8.42192554e+01 26 -1.50164269e+02 2.38431284e+02 3.18684677e+01 27 -4.21876865e+01 -4.63760716e+01 6.94570810e+01 28 -4.00122115e+01 3.31887202e+01 3.05493981e+01 29 1.52634142e+02 -1.16767675e+02 1.42178949e+02 30 9.21890747e+01 2.75776732e+01 -4.10686041e+01 31 3.70921638e+01 2.58390337e+01 4.23633288e+01 32 7.07955112e+01 1.09306443e+02 1.91238293e+02 MIXED STRUCTURE (pbc=True)-- Species = Pb Sn (Configuration in file "config-T-PbSn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 2319.5316463773747 Forces: 1 -1.21151803e+02 -2.20614426e+02 1.69000174e+01 2 2.18584497e+02 2.17710872e+02 -1.03248027e+02 3 -8.48790672e+01 -6.06291167e+01 2.11568432e+02 4 1.01889112e+02 9.61754581e+01 1.12982858e+02 5 8.37635505e+01 5.23022528e+00 -1.20777247e+02 6 -1.28645154e+02 6.19029405e+01 -9.89530080e+01 7 5.09143136e+01 -1.86465847e+02 -1.59753735e+01 8 -1.53520149e+01 -9.77269283e+01 2.60792621e+01 9 3.98205195e+01 1.54389525e+01 -6.25312458e+01 10 -9.74434262e+01 5.21473627e+01 -1.21934793e+02 11 -4.77953342e+01 -2.19026945e+02 -1.55289014e+02 12 -4.65305293e+01 1.16185073e+02 -2.76689773e+01 13 7.09784999e+01 -5.50282246e+01 -1.74472177e+02 14 8.37329681e-01 -8.20529566e+01 4.61794492e+01 15 -8.15202855e+01 4.75729481e+01 3.49030314e+01 16 1.32333088e+02 1.78838351e+02 1.00458850e+02 17 -1.27506455e+02 -2.55401092e+02 -1.16810235e+02 18 6.70836312e+01 1.29506720e+02 -1.37380038e+02 19 1.55873612e+02 -1.70050698e+02 8.59863744e+01 20 -1.16082424e+02 2.39255320e+02 9.57838657e+01 21 -9.89435171e+01 -5.83955844e+01 2.41460948e+01 22 1.39758895e+02 1.18610125e+02 -1.46757641e+02 23 3.09903544e+01 -3.67809137e+01 1.84711760e+01 24 -1.26303971e+02 6.83281377e+01 1.29264675e+02 25 -7.80889744e+01 -2.01249689e+01 1.11547962e+02 26 -1.60338994e+02 1.99931020e+02 3.36359923e+01 27 -3.82943078e+01 -6.08001503e+01 9.68236692e-01 28 5.67975337e+01 2.60123684e+01 2.97945484e+01 29 1.57984191e+02 -9.61278291e+01 1.75341589e+02 30 1.30453146e+01 -2.20284374e+01 -7.42834657e+01 31 -1.57325777e+01 7.67154408e+00 -2.57699052e+00 32 6.39543925e+01 6.07366997e+01 1.04645820e+02 ================================================================================ VALGRIND OUTPUT ================================================================================ ==229653== Memcheck, a memory error detector ==229653== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==229653== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==229653== Command: python runner2.py MEAM_LAMMPS_EtesamiBaskesLaradji_2018_PbSn__MO_162736908871_001 ==229653== ==233127== Warning: invalid file descriptor 255988 in syscall close() ==233127== Warning: invalid file descriptor 255989 in syscall close() ==233127== Warning: invalid file descriptor 255990 in syscall close() ==233127== Warning: invalid file descriptor 255991 in syscall close() ==233127== Use --log-fd= to select an alternative log fd. ==233127== Warning: invalid file descriptor 255992 in syscall close() ==233127== Warning: invalid file descriptor 255993 in syscall close() ==229653== Mismatched free() / delete / delete [] ==229653== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==229653== by 0x119EA639C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x119D7954D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x119D7AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x119D63DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x119D675CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x22A14F1E: 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) ==229653== by 0x22A15E18: 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) ==229653== by 0x22A1A762: 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) ==229653== by 0x229CA246: 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) ==229653== by 0x1A48D4C7: 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) ==229653== by 0x1A4A12E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==229653== Address 0x4d4e1a40 is 0 bytes inside a block of size 1,024 alloc'd ==229653== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==229653== by 0x119EA5B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x119D7954D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x119D7AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x119D63DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x119D675CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x22A14F1E: 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) ==229653== by 0x22A15E18: 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) ==229653== by 0x22A1A762: 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) ==229653== by 0x229CA246: 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) ==229653== by 0x1A48D4C7: 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) ==229653== by 0x1A4A12E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==229653== ==229653== Mismatched free() / delete / delete [] ==229653== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==229653== by 0x119EA0DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x119D79578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x119D7AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x119D63DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x119D675CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x22A14F1E: 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) ==229653== by 0x22A15E18: 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) ==229653== by 0x22A1A762: 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) ==229653== by 0x229CA246: 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) ==229653== by 0x1A48D4C7: 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) ==229653== by 0x1A4A12E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==229653== Address 0x4d4e2cd0 is 0 bytes inside a block of size 1,024 alloc'd ==229653== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==229653== by 0x119EA0BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x119D79578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x119D7AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x119D63DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x119D675CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-70f18f03-5099-445f-b0d9-f42969abd0ae-007-d09a1747-6acd-4ad3-a813-c88c99d5ce51/VC_561022993723_003-and-MO_162736908871_001-1652565816/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==229653== by 0x22A14F1E: 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) ==229653== by 0x22A15E18: 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) ==229653== by 0x22A1A762: 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) ==229653== by 0x229CA246: 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) ==229653== by 0x1A48D4C7: 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) ==229653== by 0x1A4A12E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==229653== ==229653== ==229653== HEAP SUMMARY: ==229653== in use at exit: 2,203,207 bytes in 1,644 blocks ==229653== total heap usage: 96,726 allocs, 95,082 frees, 120,424,445 bytes allocated ==229653== ==229653== LEAK SUMMARY: ==229653== definitely lost: 0 bytes in 0 blocks ==229653== indirectly lost: 0 bytes in 0 blocks ==229653== possibly lost: 198,622 bytes in 101 blocks ==229653== still reachable: 2,004,553 bytes in 1,542 blocks ==229653== suppressed: 32 bytes in 1 blocks ==229653== Rerun with --leak-check=full to see details of leaked memory ==229653== ==229653== For lists of detected and suppressed errors, rerun with: -s ==229653== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9262 from 564) ================================================================================ 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.