!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! VERIFICATION CHECK: vc-memory-leak !!!!! !!!!! !!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! Description: Check that the model has no memory leaks. This is tested using the Valgrind memory debugging tool (http://valgrind.org) by performing a series of energy and force calculations on a randomly distorted face-centered cubic (FCC) cube base structure for both non-periodic and periodic boundary conditions. Separate configurations are tested for each species supported by the model, as well as one containing a random distribution of all species. Configurations used for testing are provided as auxiliary files. Author: Ellad Tadmor and Daniel S. Karls ----------------------------------------------------------------------------------------------------- Results for KIM Model : MEAM_LAMMPS_ChoiKimSeol_2017_CoMn__MO_808662295149_001 Supported species : Co Mn 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 = -50.15844392611148 Forces: 1 -4.47274458e+00 -6.77955103e+00 -7.22025739e+00 2 -1.82783384e+00 4.43054865e+00 -5.13855963e+00 3 2.22082439e+00 -3.80174315e+00 4.10144803e+00 4 -4.50225691e+00 4.51124177e+00 6.59264742e+00 5 3.98465069e+00 -6.41078800e+00 -1.61018880e+00 6 2.19697328e+00 5.78705835e-01 -3.09780200e+00 7 4.16563077e+00 -1.55954918e+01 -1.49958244e+01 8 -1.50850227e+01 -1.46014778e+01 -1.06351264e+00 9 -4.64885957e+00 -9.44002770e-01 -6.17720869e+00 10 -4.83770430e+00 8.77293823e+00 -9.31831003e+00 11 -4.34960023e+00 -6.28590724e+00 2.62063019e+00 12 -3.50691027e+00 6.32403250e+00 -2.52897870e+00 13 -1.82955390e+00 -4.11064036e+00 -2.13617948e+01 14 3.14868695e+00 3.20959498e+00 -9.42122283e-01 15 2.46495358e+01 8.28474660e+00 2.70223357e+00 16 7.16000685e+00 1.65447303e+01 6.76287261e+00 17 -4.14150337e+00 -2.47646699e+00 -2.67138532e+00 18 4.93077194e-03 6.96569190e+00 -9.48081706e+00 19 -4.33240629e-01 -1.12788971e+01 5.85894996e+00 20 -3.99829603e+00 3.03280962e+00 3.50161509e+00 21 -5.87156594e+00 -6.29243665e+00 3.76485958e+00 22 1.14476051e+01 1.03719684e+01 1.20660989e+01 23 1.74058385e+00 -3.25092696e-01 3.35990435e+00 24 4.75049105e+00 3.78604122e+00 6.50153297e+00 25 -7.10959166e+00 -5.92362004e+00 3.17121099e+00 26 -4.11744709e+00 1.08891102e+01 -4.30716289e+00 27 6.40192000e+00 -1.68386276e+01 7.55721717e+00 28 -1.32015394e+01 1.16614938e+01 2.71835107e+00 29 -2.99079755e+00 -3.56310588e+00 6.22007451e+00 30 3.62677769e+00 7.02218278e+00 -4.69380243e+00 31 6.62269376e+00 -8.58195382e+00 9.13862739e+00 32 4.80315702e+00 7.42396625e+00 7.96945334e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Co (Configuration in file "config-T-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = -50.15844392611148 Forces: 1 -4.47274458e+00 -6.77955103e+00 -7.22025739e+00 2 -1.82783384e+00 4.43054865e+00 -5.13855963e+00 3 2.22082439e+00 -3.80174315e+00 4.10144803e+00 4 -4.50225691e+00 4.51124177e+00 6.59264742e+00 5 3.98465069e+00 -6.41078800e+00 -1.61018880e+00 6 2.19697328e+00 5.78705835e-01 -3.09780200e+00 7 4.16563077e+00 -1.55954918e+01 -1.49958244e+01 8 -1.50850227e+01 -1.46014778e+01 -1.06351264e+00 9 -4.64885957e+00 -9.44002770e-01 -6.17720869e+00 10 -4.83770430e+00 8.77293823e+00 -9.31831003e+00 11 -4.34960023e+00 -6.28590724e+00 2.62063019e+00 12 -3.50691027e+00 6.32403250e+00 -2.52897870e+00 13 -1.82955390e+00 -4.11064036e+00 -2.13617948e+01 14 3.14868695e+00 3.20959498e+00 -9.42122283e-01 15 2.46495358e+01 8.28474660e+00 2.70223357e+00 16 7.16000685e+00 1.65447303e+01 6.76287261e+00 17 -4.14150337e+00 -2.47646699e+00 -2.67138532e+00 18 4.93077194e-03 6.96569190e+00 -9.48081706e+00 19 -4.33240629e-01 -1.12788971e+01 5.85894996e+00 20 -3.99829603e+00 3.03280962e+00 3.50161509e+00 21 -5.87156594e+00 -6.29243665e+00 3.76485958e+00 22 1.14476051e+01 1.03719684e+01 1.20660989e+01 23 1.74058385e+00 -3.25092696e-01 3.35990435e+00 24 4.75049105e+00 3.78604122e+00 6.50153297e+00 25 -7.10959166e+00 -5.92362004e+00 3.17121099e+00 26 -4.11744709e+00 1.08891102e+01 -4.30716289e+00 27 6.40192000e+00 -1.68386276e+01 7.55721717e+00 28 -1.32015394e+01 1.16614938e+01 2.71835107e+00 29 -2.99079755e+00 -3.56310588e+00 6.22007451e+00 30 3.62677769e+00 7.02218278e+00 -4.69380243e+00 31 6.62269376e+00 -8.58195382e+00 9.13862739e+00 32 4.80315702e+00 7.42396625e+00 7.96945334e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Mn (Configuration in file "config-F-Mn.xyz") ----------------------------------------------------------------------------------------------------- Energy = -7.080190169004039 Forces: 1 -5.41723783e+00 -3.35375100e+00 -3.11283243e+00 2 -3.72031545e+00 3.71548045e+00 -1.20800766e+01 3 -3.29328819e+00 -8.49324808e+00 5.21485283e+00 4 -9.94653533e+00 -2.46530810e+00 -6.03805009e+00 5 5.92609701e+00 -7.74171557e+00 -4.97482463e+00 6 5.88100906e+00 -3.91055882e+00 -3.30824857e+00 7 5.66047308e+00 -5.36434226e+00 -4.35264339e+00 8 3.19116464e+00 1.20724388e+00 4.29113633e+00 9 -4.58530434e+00 1.05940577e+00 -5.06941212e+00 10 2.23199705e-01 4.43556430e+00 -5.04834085e+00 11 4.03620605e+00 2.08713267e+00 -2.45470693e+00 12 -4.08319155e+00 4.48571939e+00 1.22368202e+00 13 7.09532815e-02 4.10240941e+00 -6.38751054e+00 14 8.75823879e-01 1.93318156e+00 -6.99914211e-01 15 3.74726315e+00 3.24528527e+00 2.71150653e+00 16 3.79317296e+00 5.90017877e+00 -3.73604704e+00 17 -2.33167173e+00 -3.97458556e+00 1.79383795e+00 18 3.41526720e+00 -3.88002270e+00 5.17217815e+00 19 -2.24303936e+00 -2.33531867e+00 2.47971987e+00 20 -2.74394029e+00 -7.97988671e-02 5.14569829e+00 21 -5.60322125e+00 -6.65516501e+00 1.67312874e+00 22 8.44355178e+00 2.75632912e+00 -5.35048657e-01 23 3.58747001e+00 -2.54232990e+00 5.70207872e+00 24 -1.58303980e+00 -6.22908992e+00 6.21331365e+00 25 -7.78349200e+00 4.66783197e+00 4.73227718e+00 26 -7.66044004e+00 9.30833726e+00 -1.26713909e+00 27 -8.33084879e+00 -2.92105045e+00 9.84573770e+00 28 -3.10457127e+00 9.12042534e-01 1.01686400e+00 29 1.45449205e+00 -1.14632132e+01 -1.23737299e+01 30 1.55781332e+01 8.04589411e+00 -1.20626405e+01 31 1.04926867e+01 -2.31991786e+00 8.53370064e+00 32 -3.94682657e+00 1.58673795e+01 1.77514530e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mn (Configuration in file "config-T-Mn.xyz") ----------------------------------------------------------------------------------------------------- Energy = -7.080190169004039 Forces: 1 -5.41723783e+00 -3.35375100e+00 -3.11283243e+00 2 -3.72031545e+00 3.71548045e+00 -1.20800766e+01 3 -3.29328819e+00 -8.49324808e+00 5.21485283e+00 4 -9.94653533e+00 -2.46530810e+00 -6.03805009e+00 5 5.92609701e+00 -7.74171557e+00 -4.97482463e+00 6 5.88100906e+00 -3.91055882e+00 -3.30824857e+00 7 5.66047308e+00 -5.36434226e+00 -4.35264339e+00 8 3.19116464e+00 1.20724388e+00 4.29113633e+00 9 -4.58530434e+00 1.05940577e+00 -5.06941212e+00 10 2.23199705e-01 4.43556430e+00 -5.04834085e+00 11 4.03620605e+00 2.08713267e+00 -2.45470693e+00 12 -4.08319155e+00 4.48571939e+00 1.22368202e+00 13 7.09532815e-02 4.10240941e+00 -6.38751054e+00 14 8.75823879e-01 1.93318156e+00 -6.99914211e-01 15 3.74726315e+00 3.24528527e+00 2.71150653e+00 16 3.79317296e+00 5.90017877e+00 -3.73604704e+00 17 -2.33167173e+00 -3.97458556e+00 1.79383795e+00 18 3.41526720e+00 -3.88002270e+00 5.17217815e+00 19 -2.24303936e+00 -2.33531867e+00 2.47971987e+00 20 -2.74394029e+00 -7.97988671e-02 5.14569829e+00 21 -5.60322125e+00 -6.65516501e+00 1.67312874e+00 22 8.44355178e+00 2.75632912e+00 -5.35048657e-01 23 3.58747001e+00 -2.54232990e+00 5.70207872e+00 24 -1.58303980e+00 -6.22908992e+00 6.21331365e+00 25 -7.78349200e+00 4.66783197e+00 4.73227718e+00 26 -7.66044004e+00 9.30833726e+00 -1.26713909e+00 27 -8.33084879e+00 -2.92105045e+00 9.84573770e+00 28 -3.10457127e+00 9.12042534e-01 1.01686400e+00 29 1.45449205e+00 -1.14632132e+01 -1.23737299e+01 30 1.55781332e+01 8.04589411e+00 -1.20626405e+01 31 1.04926867e+01 -2.31991786e+00 8.53370064e+00 32 -3.94682657e+00 1.58673795e+01 1.77514530e+01 MIXED STRUCTURE (pbc=False)-- Species = Co Mn (Configuration in file "config-F-CoMn.xyz") ----------------------------------------------------------------------------------------------------- Energy = -5.6503329398027 Forces: 1 -8.72049414e+00 -9.02397280e+00 -1.15393844e+01 2 -3.66881622e+00 -9.00267553e+00 -1.21852328e+01 3 9.32868285e+00 -1.13902952e+01 7.05251095e+00 4 -1.12964261e+01 9.57166548e+00 7.36846432e+00 5 -4.39020063e-01 -4.11908637e+00 -2.96827988e+00 6 6.10234113e+00 -3.99415856e+00 -1.00269086e+01 7 5.95192914e+00 -7.68884983e+00 -2.68102398e+00 8 -6.21598729e+00 -5.31266933e+00 -8.19114500e+00 9 -7.07906897e+00 1.64491355e+00 -5.01099007e+00 10 -8.08950267e+00 1.20351022e+01 -1.69846179e+01 11 -1.20449841e+01 -1.04346754e+01 7.28318654e+00 12 -4.64113809e+00 3.39459961e+00 7.22865082e-01 13 7.37317155e+00 4.35587094e+00 -1.09992496e+01 14 4.60635593e+00 2.75876775e+00 -3.43059265e+00 15 1.20835014e+01 9.72248759e+00 4.19888133e+00 16 1.54612249e+01 1.61225005e+01 7.81332248e+00 17 -1.06393855e+01 -7.02714992e+00 -8.36803091e+00 18 -5.41377502e+00 -5.63872757e+00 -1.37272724e+01 19 9.16940466e+00 -9.93472360e+00 9.97883967e+00 20 -1.00686308e+01 7.46804152e-01 1.07039716e+01 21 -1.12534508e+00 -1.41336051e+01 5.37188867e+00 22 1.47894221e+01 1.57053049e+00 7.97265507e+00 23 8.51244257e-01 -7.49568150e-01 1.38904803e+00 24 7.99452721e+00 -5.49775559e+00 1.69559021e+01 25 -1.50798941e+01 6.32170507e+00 -9.76604924e+00 26 -3.44650024e+00 7.14397470e+00 6.51546312e+00 27 5.20271699e+00 9.67911097e+00 1.51172830e+01 28 -1.21903181e+00 2.18007301e+00 8.33676457e-01 29 3.72464961e-01 7.08454353e+00 -7.68434646e-01 30 1.03004503e+01 6.43229306e+00 -7.86688485e+00 31 6.37111710e+00 -4.21156053e+00 7.80902567e+00 32 -6.77055441e+00 7.39453093e+00 7.42711289e+00 MIXED STRUCTURE (pbc=True)-- Species = Co Mn (Configuration in file "config-T-CoMn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 18.026790336892077 Forces: 1 -1.86738746e+00 -4.49084747e+00 -7.85541669e+00 2 -2.85209033e+00 -8.65686503e+00 -7.92344978e+00 3 1.27941607e+01 9.31812728e-01 8.19416855e+00 4 -6.65505599e-01 1.16031953e+01 8.33946057e+00 5 -3.14895548e+00 3.28934778e+00 -2.94829241e+00 6 -5.34457997e-01 7.41906671e-02 -8.72570509e+00 7 -5.48821684e+00 -7.51571628e+00 3.79884045e+00 8 -7.06117216e+00 -4.70740662e+00 -7.84476247e+00 9 -5.58471488e+00 3.27142480e+00 -1.22710548e+00 10 -5.22043582e+00 3.90828781e+00 -1.80139536e+01 11 -1.22700760e+01 -1.02088632e+01 7.21575870e+00 12 -6.43674390e+00 -8.88846054e+00 5.36987205e+00 13 6.31200255e+00 3.86933226e+00 -6.91300492e+00 14 4.78481038e+00 -2.48657723e+00 -3.23309827e+00 15 9.56435920e+00 1.05850911e+01 5.57371916e+00 16 1.67179134e+01 9.85139625e+00 1.06353519e+01 17 -2.83378941e+00 -6.38181052e+00 -8.87532032e+00 18 -4.13092665e+00 -4.54883393e+00 -1.39821716e+01 19 8.07543221e+00 -6.74755307e+00 3.49371487e+00 20 -5.68879282e+00 5.03721106e+00 6.53439339e+00 21 -1.22138874e+00 -1.15980508e+01 5.38281724e+00 22 1.11986701e+01 2.37602306e+00 7.64577038e+00 23 -8.10970211e+00 -4.23292558e+00 -3.94660729e+00 24 7.58507021e+00 -5.35636634e+00 1.37197722e+01 25 -1.22995960e+01 6.21502684e+00 -1.14172720e+01 26 -3.34202430e+00 3.07659717e+00 5.54642908e+00 27 7.12757661e+00 1.04035345e+01 1.10038284e+01 28 -1.89025063e+00 -4.40623511e+00 1.59757205e+00 29 -5.98031097e-01 6.65326107e+00 -1.12698678e+00 30 9.79024881e+00 6.71884712e+00 -9.92558334e+00 31 5.82212161e+00 -4.13561205e+00 4.24776678e+00 32 -8.52810745e+00 6.49754424e+00 5.65949425e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==202932== Memcheck, a memory error detector ==202932== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==202932== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==202932== Command: python runner2.py MEAM_LAMMPS_ChoiKimSeol_2017_CoMn__MO_808662295149_001 ==202932== ==205551== Warning: invalid file descriptor 255988 in syscall close() ==205551== Warning: invalid file descriptor 255989 in syscall close() ==205551== Warning: invalid file descriptor 255990 in syscall close() ==205551== Warning: invalid file descriptor 255991 in syscall close() ==205551== Use --log-fd= to select an alternative log fd. ==205551== Warning: invalid file descriptor 255992 in syscall close() ==205551== Warning: invalid file descriptor 255993 in syscall close() ==202932== Mismatched free() / delete / delete [] ==202932== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==202932== by 0x119B8A39C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x119A5D54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x119A5EC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x119A47DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x119A4B5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x36253F1E: 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) ==202932== by 0x36254E18: 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) ==202932== by 0x36259762: 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) ==202932== by 0x36209246: 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) ==202932== by 0x2F4954C7: 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) ==202932== by 0x2F4A92E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==202932== Address 0x91edd390 is 0 bytes inside a block of size 1,024 alloc'd ==202932== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==202932== by 0x119B89B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x119A5D54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x119A5EC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x119A47DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x119A4B5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x36253F1E: 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) ==202932== by 0x36254E18: 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) ==202932== by 0x36259762: 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) ==202932== by 0x36209246: 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) ==202932== by 0x2F4954C7: 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) ==202932== by 0x2F4A92E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==202932== ==202932== Mismatched free() / delete / delete [] ==202932== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==202932== by 0x119B84DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x119A5D578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x119A5EC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x119A47DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x119A4B5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x36253F1E: 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) ==202932== by 0x36254E18: 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) ==202932== by 0x36259762: 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) ==202932== by 0x36209246: 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) ==202932== by 0x2F4954C7: 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) ==202932== by 0x2F4A92E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==202932== Address 0x91ede620 is 0 bytes inside a block of size 1,024 alloc'd ==202932== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==202932== by 0x119B84BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x119A5D578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x119A5EC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x119A47DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x119A4B5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-543f29b4-3e15-4b5e-9cbc-d38bcfb591dd-007-521a06f3-06c5-4f24-91e8-43856c39388b/VC_561022993723_003-and-MO_808662295149_001-1650918121/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==202932== by 0x36253F1E: 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) ==202932== by 0x36254E18: 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) ==202932== by 0x36259762: 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) ==202932== by 0x36209246: 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) ==202932== by 0x2F4954C7: 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) ==202932== by 0x2F4A92E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==202932== ==202932== ==202932== HEAP SUMMARY: ==202932== in use at exit: 2,203,207 bytes in 1,644 blocks ==202932== total heap usage: 95,542 allocs, 93,898 frees, 120,198,397 bytes allocated ==202932== ==202932== LEAK SUMMARY: ==202932== definitely lost: 0 bytes in 0 blocks ==202932== indirectly lost: 0 bytes in 0 blocks ==202932== possibly lost: 198,622 bytes in 101 blocks ==202932== still reachable: 2,004,553 bytes in 1,542 blocks ==202932== suppressed: 32 bytes in 1 blocks ==202932== Rerun with --leak-check=full to see details of leaked memory ==202932== ==202932== For lists of detected and suppressed errors, rerun with: -s ==202932== ERROR SUMMARY: 20 errors from 2 contexts (suppressed: 9299 from 550) ================================================================================ 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.