!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_CuMo__MO_380272712420_001 Supported species : Cu Mo random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.489464775577229 Forces: 1 -7.64672140e-01 -7.04805210e+00 -7.91470901e+00 2 -7.17519627e+00 9.14457561e+00 -3.06775383e+00 3 5.26928179e+00 -2.66189487e+00 -1.87162885e+00 4 -4.52445061e+00 5.19227922e+00 5.40281861e+00 5 4.90766443e+00 -1.39717825e+01 -1.64898215e+00 6 4.30146217e+00 4.86743074e+00 -3.55772775e+00 7 1.09045144e+01 -2.11234293e+01 -2.42635079e+01 8 -1.90806121e+01 -4.96813922e+00 -4.29260405e+00 9 -1.05358521e+01 -5.63991930e+00 -1.29721217e+01 10 -7.29680246e+00 1.98156099e+01 -1.75188952e+01 11 -3.69534676e+00 -1.60137863e+01 1.50306362e+01 12 -7.32928088e+00 1.13090325e+01 3.10946788e+00 13 -2.52831392e+00 -1.13722570e+01 -3.46467271e+01 14 4.83568088e+00 7.40917370e+00 -5.08466289e+00 15 3.14294825e+01 -9.42793802e+00 1.04661271e+01 16 5.20587906e+00 2.15611983e+01 1.14651712e+01 17 -1.18275082e+01 -6.97734253e+00 -5.09173929e+00 18 -3.35318019e+00 1.28091845e+01 -2.22737188e+01 19 3.01982740e+00 -1.63744271e+01 1.09497453e+01 20 -6.74440144e+00 7.57427079e+00 7.87929977e+00 21 -1.96108065e+01 -1.28348312e+01 1.25866429e+01 22 2.08180464e+01 1.75147069e+01 1.35985174e+01 23 5.69001761e+00 -1.01545262e+00 6.55565610e+00 24 1.40463946e+01 3.74185630e+00 1.34524969e+01 25 -3.30782831e+00 -7.93495787e+00 -7.48911466e-01 26 -3.40246021e+00 9.30939049e+00 -9.78513833e+00 27 1.39011191e+01 -2.66479787e+01 5.50529901e+00 28 -2.83710759e+01 2.41522880e+01 1.05500604e+01 29 -7.78173006e+00 -6.79181456e+00 4.71148302e+00 30 6.21573288e+00 9.24982679e+00 3.23426918e+00 31 1.04769515e+01 -6.21671204e+00 6.37474441e+00 32 6.30746341e+00 1.33698916e+01 1.38663928e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.489464775577229 Forces: 1 -7.64672140e-01 -7.04805210e+00 -7.91470901e+00 2 -7.17519627e+00 9.14457561e+00 -3.06775383e+00 3 5.26928179e+00 -2.66189487e+00 -1.87162885e+00 4 -4.52445061e+00 5.19227922e+00 5.40281861e+00 5 4.90766443e+00 -1.39717825e+01 -1.64898215e+00 6 4.30146217e+00 4.86743074e+00 -3.55772775e+00 7 1.09045144e+01 -2.11234293e+01 -2.42635079e+01 8 -1.90806121e+01 -4.96813922e+00 -4.29260405e+00 9 -1.05358521e+01 -5.63991930e+00 -1.29721217e+01 10 -7.29680246e+00 1.98156099e+01 -1.75188952e+01 11 -3.69534676e+00 -1.60137863e+01 1.50306362e+01 12 -7.32928088e+00 1.13090325e+01 3.10946788e+00 13 -2.52831392e+00 -1.13722570e+01 -3.46467271e+01 14 4.83568088e+00 7.40917370e+00 -5.08466289e+00 15 3.14294825e+01 -9.42793802e+00 1.04661271e+01 16 5.20587906e+00 2.15611983e+01 1.14651712e+01 17 -1.18275082e+01 -6.97734253e+00 -5.09173929e+00 18 -3.35318019e+00 1.28091845e+01 -2.22737188e+01 19 3.01982740e+00 -1.63744271e+01 1.09497453e+01 20 -6.74440144e+00 7.57427079e+00 7.87929977e+00 21 -1.96108065e+01 -1.28348312e+01 1.25866429e+01 22 2.08180464e+01 1.75147069e+01 1.35985174e+01 23 5.69001761e+00 -1.01545262e+00 6.55565610e+00 24 1.40463946e+01 3.74185630e+00 1.34524969e+01 25 -3.30782831e+00 -7.93495787e+00 -7.48911466e-01 26 -3.40246021e+00 9.30939049e+00 -9.78513833e+00 27 1.39011191e+01 -2.66479787e+01 5.50529901e+00 28 -2.83710759e+01 2.41522880e+01 1.05500604e+01 29 -7.78173006e+00 -6.79181456e+00 4.71148302e+00 30 6.21573288e+00 9.24982679e+00 3.23426918e+00 31 1.04769515e+01 -6.21671204e+00 6.37474441e+00 32 6.30746341e+00 1.33698916e+01 1.38663928e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Mo (Configuration in file "config-F-Mo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 601.4740102717169 Forces: 1 -2.99275866e-01 -4.06828935e+00 1.75676172e+00 2 -3.35610235e+01 -5.56425883e+01 -8.66174964e+01 3 -5.79633185e+01 -5.34546370e+01 -1.01380068e+02 4 -8.87777677e+01 -2.46298895e+01 -2.33438270e+01 5 -4.66333084e+01 -5.17737237e+01 -6.55229509e+01 6 5.42751281e+01 2.15763342e+01 -6.17236539e+01 7 5.62260245e+01 -5.45344031e+01 6.77778888e+01 8 5.47833315e+01 -2.00982925e+00 -8.24742595e-01 9 -7.95170251e+01 -4.88853035e+01 -7.80756977e+01 10 -4.28609305e+01 1.30326314e+02 -3.45132733e+01 11 -6.72498169e+01 1.99874733e+01 -5.65858616e+01 12 -6.75967922e+01 8.25771386e+01 3.76467223e+01 13 1.05907508e+02 -4.67698200e+01 -9.79778718e+01 14 2.44436960e+01 4.19216387e+00 -1.46722577e+00 15 2.88742143e+01 6.89631898e+01 -4.58643302e+01 16 1.28312318e+02 1.05587614e+02 -6.12107135e+01 17 -7.59628144e+01 -5.70484406e+01 1.63014751e+01 18 -3.33777435e+01 -1.17427095e+02 5.29478072e+01 19 -2.56958178e+01 -3.20083219e+00 1.01662398e+02 20 -3.11014141e+01 -7.58005041e+00 3.70466819e+01 21 1.42712331e+02 -6.40490542e+01 8.87448480e+00 22 3.64403781e+01 -4.24982561e+01 6.41021271e+01 23 2.26338624e+00 3.06658127e-01 -1.44377537e-01 24 1.01182185e+02 -5.98862912e+01 5.68296512e+01 25 -1.19388517e+02 6.58787870e+01 2.08631873e+01 26 -8.42627902e+01 1.14945771e+02 8.53365780e+01 27 -6.90817806e+01 5.41178376e+01 1.06273120e+02 28 -1.56826098e+01 8.27645728e+00 9.00631073e+00 29 1.55737372e+02 -3.17257284e+01 2.26130441e+00 30 1.76972370e+01 3.96193582e+01 -4.86673269e+01 31 2.55126158e+01 -2.94942907e+01 6.34342041e+01 32 4.64502033e+00 3.83234258e+01 3.17987141e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mo (Configuration in file "config-T-Mo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 601.4740102717169 Forces: 1 -2.99275866e-01 -4.06828935e+00 1.75676172e+00 2 -3.35610235e+01 -5.56425883e+01 -8.66174964e+01 3 -5.79633185e+01 -5.34546370e+01 -1.01380068e+02 4 -8.87777677e+01 -2.46298895e+01 -2.33438270e+01 5 -4.66333084e+01 -5.17737237e+01 -6.55229509e+01 6 5.42751281e+01 2.15763342e+01 -6.17236539e+01 7 5.62260245e+01 -5.45344031e+01 6.77778888e+01 8 5.47833315e+01 -2.00982925e+00 -8.24742595e-01 9 -7.95170251e+01 -4.88853035e+01 -7.80756977e+01 10 -4.28609305e+01 1.30326314e+02 -3.45132733e+01 11 -6.72498169e+01 1.99874733e+01 -5.65858616e+01 12 -6.75967922e+01 8.25771386e+01 3.76467223e+01 13 1.05907508e+02 -4.67698200e+01 -9.79778718e+01 14 2.44436960e+01 4.19216387e+00 -1.46722577e+00 15 2.88742143e+01 6.89631898e+01 -4.58643302e+01 16 1.28312318e+02 1.05587614e+02 -6.12107135e+01 17 -7.59628144e+01 -5.70484406e+01 1.63014751e+01 18 -3.33777435e+01 -1.17427095e+02 5.29478072e+01 19 -2.56958178e+01 -3.20083219e+00 1.01662398e+02 20 -3.11014141e+01 -7.58005041e+00 3.70466819e+01 21 1.42712331e+02 -6.40490542e+01 8.87448480e+00 22 3.64403781e+01 -4.24982561e+01 6.41021271e+01 23 2.26338624e+00 3.06658127e-01 -1.44377537e-01 24 1.01182185e+02 -5.98862912e+01 5.68296512e+01 25 -1.19388517e+02 6.58787870e+01 2.08631873e+01 26 -8.42627902e+01 1.14945771e+02 8.53365780e+01 27 -6.90817806e+01 5.41178376e+01 1.06273120e+02 28 -1.56826098e+01 8.27645728e+00 9.00631073e+00 29 1.55737372e+02 -3.17257284e+01 2.26130441e+00 30 1.76972370e+01 3.96193582e+01 -4.86673269e+01 31 2.55126158e+01 -2.94942907e+01 6.34342041e+01 32 4.64502033e+00 3.83234258e+01 3.17987141e+01 MIXED STRUCTURE (pbc=False)-- Species = Cu Mo (Configuration in file "config-F-CuMo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 717.9129382582153 Forces: 1 -6.35657643e+01 -3.90525376e+01 -5.98331904e+01 2 2.57891197e+01 1.95791278e+01 -1.28250160e+02 3 7.69290842e+01 -1.53860026e+02 -6.04917385e+01 4 -2.28037065e+02 8.12971364e+01 -8.02207146e+01 5 -8.43700409e-01 -3.50742178e+01 -3.30242101e+01 6 5.38090468e+01 -3.90596367e+01 -2.58986506e+01 7 1.87060301e+01 -4.35888483e+01 -4.97918917e+00 8 2.46605135e+02 1.84984264e+01 -1.37278370e+02 9 -3.03095966e+01 -3.23385591e+01 -2.34389791e+01 10 -1.37463983e+01 5.17284737e+01 -3.88304349e+01 11 -6.68528830e+01 1.52678278e+02 -2.62793603e+01 12 -2.08864307e+01 3.28123464e+00 -1.16492348e+01 13 -5.18211633e+01 -2.61129157e+00 -4.68369420e+01 14 3.12049395e+01 4.23975300e+01 -9.18083788e-01 15 2.21253103e+01 1.14762843e+01 8.68038620e+00 16 3.14521290e+01 2.62036821e+01 4.71339121e+01 17 -1.53573613e+02 -1.35797194e+02 1.08435083e+02 18 -2.07305417e+01 4.94324392e+01 2.03413070e+02 19 1.09723387e+00 -6.32749765e+01 8.05492371e+01 20 -1.13297182e+02 -1.15581968e+02 1.11347162e+02 21 3.25843921e+01 -1.65899047e+02 -2.24474072e+01 22 1.16644235e+02 8.71789913e+01 -8.26009481e+01 23 6.80956193e+01 -9.26504230e+01 6.48009479e+01 24 -8.70348477e+01 4.70378140e+01 1.06984907e+02 25 -2.36507797e+01 5.64631633e+01 -1.07741400e+02 26 -8.50144268e+01 2.12391328e+01 -1.62315550e+02 27 9.88574480e+01 5.94822870e+01 2.68678269e+01 28 -6.68285772e+01 4.71526353e+01 6.46634525e+01 29 2.47846793e+01 1.03138985e+02 6.30199274e+01 30 3.81610212e+00 1.76552377e+01 -3.27928990e+00 31 1.89261201e+01 1.55985374e+01 2.22371434e+01 32 1.54766345e+02 7.26932904e+00 1.48180798e+02 MIXED STRUCTURE (pbc=True)-- Species = Cu Mo (Configuration in file "config-T-CuMo.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1005.2376079799998 Forces: 1 -9.13861830e+01 -1.08403066e+01 -1.79727269e+01 2 5.06599426e+01 2.92831302e+01 -1.28172317e+02 3 1.24453052e+02 -1.45300186e+02 -7.87876687e+01 4 -2.71114271e+02 1.76220919e+02 -1.65431079e+02 5 6.69126473e+01 4.76663586e+01 6.30701459e+00 6 1.35810127e+02 -1.52016034e+02 2.30870989e+01 7 -3.82956538e+01 -4.85695031e+01 -1.24042541e+00 8 2.56479276e+02 -1.60880545e+01 -1.38673822e+02 9 -3.06755341e+01 -5.48181579e+01 5.33120972e+01 10 -1.85487350e+01 -5.79100400e+01 1.85421841e+01 11 -6.16669102e+01 1.59690279e+02 -2.87760680e+01 12 5.66301640e+01 1.91398798e+01 -3.42455206e+01 13 -1.72150583e+02 9.22818762e+01 -1.74818625e+01 14 5.26564735e+01 7.00407245e+01 6.74943732e+00 15 -4.63484118e+01 -5.46951980e+01 -2.04672439e+01 16 4.48702520e+01 1.22627781e+01 5.17479545e+01 17 -1.77761537e+02 -1.69704772e+02 2.07505385e+02 18 2.57598356e+01 1.09404615e+02 2.41413701e+02 19 -6.69024803e+00 8.29884027e+01 6.19778486e+01 20 -5.99512080e+01 -1.30170919e+02 6.42244069e+01 21 4.23220800e+01 -1.57749279e+02 -4.38306750e+01 22 9.53000935e+01 1.27256725e+02 -1.57079825e+02 23 7.51042637e+01 -1.42984633e+02 9.70782581e+01 24 -1.66579646e+02 5.20305491e+01 1.02724382e+02 25 -4.97173813e+00 6.83810533e+01 -1.16978329e+02 26 -7.65202240e+01 -7.15234600e+01 -1.86438145e+02 27 1.09173281e+02 6.90360206e+01 9.78392758e+00 28 -2.82535161e+00 6.78645478e+01 4.57905723e+01 29 2.41430093e+01 1.02955566e+02 6.87239583e+01 30 -9.96849447e+01 -2.85689489e+00 -4.12080619e+01 31 -3.20547640e+01 1.77239125e+01 -1.49322651e+01 32 1.96951446e+02 -8.89998999e+01 1.32747808e+02 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1274364== Memcheck, a memory error detector ==1274364== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1274364== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1274364== Command: python runner2.py MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_380272712420_001 ==1274364== ==1275636== Warning: invalid file descriptor 1024 in syscall close() ==1275636== Warning: invalid file descriptor 1025 in syscall close() ==1275636== Warning: invalid file descriptor 1026 in syscall close() ==1275636== Warning: invalid file descriptor 1027 in syscall close() ==1275636== Use --log-fd= to select an alternative log fd. ==1275636== Warning: invalid file descriptor 1028 in syscall close() ==1275636== Warning: invalid file descriptor 1029 in syscall close() ==1274364== Mismatched free() / delete / delete [] ==1274364== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274364== by 0x12C78438C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== 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) ==1274364== 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) ==1274364== 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) ==1274364== 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) ==1274364== 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) ==1274364== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274364== Address 0xa8f7c530 is 0 bytes inside a block of size 1,024 alloc'd ==1274364== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274364== by 0x12C783B11: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== 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) ==1274364== 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) ==1274364== 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) ==1274364== 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) ==1274364== 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) ==1274364== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274364== ==1274364== Mismatched free() / delete / delete [] ==1274364== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274364== by 0x12C77EDBD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== 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) ==1274364== 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) ==1274364== 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) ==1274364== 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) ==1274364== 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) ==1274364== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274364== Address 0xa8f7d770 is 0 bytes inside a block of size 1,024 alloc'd ==1274364== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1274364== by 0x12C77EB9B: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-8e718e35-12b5-40d7-854d-d7f5c0bb7283-007-571598eb-8a3a-4718-885b-8e6425e925d6/VC_561022993723_004-and-MO_380272712420_001-1669765236/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1274364== 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) ==1274364== 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) ==1274364== 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) ==1274364== 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) ==1274364== 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) ==1274364== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1274364== ==1274364== ==1274364== HEAP SUMMARY: ==1274364== in use at exit: 2,257,671 bytes in 1,702 blocks ==1274364== total heap usage: 93,074 allocs, 91,372 frees, 115,462,106 bytes allocated ==1274364== ==1274364== LEAK SUMMARY: ==1274364== definitely lost: 0 bytes in 0 blocks ==1274364== indirectly lost: 0 bytes in 0 blocks ==1274364== possibly lost: 180,827 bytes in 103 blocks ==1274364== still reachable: 2,076,812 bytes in 1,598 blocks ==1274364== of which reachable via heuristic: ==1274364== stdstring : 38 bytes in 1 blocks ==1274364== suppressed: 32 bytes in 1 blocks ==1274364== Rerun with --leak-check=full to see details of leaked memory ==1274364== ==1274364== For lists of detected and suppressed errors, rerun with: -s ==1274364== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 7940 from 540) ================================================================================ 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.