!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001 Supported species : C Fe Mn Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = C (Configuration in file "config-F-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = -91.61729717409237 Forces: 1 3.71403043e+00 1.80198946e+00 1.76024019e+00 2 1.26028511e+00 8.23712629e-01 -3.44983013e+00 3 -1.13873804e+00 -2.02837217e+00 -5.91239974e-01 4 -9.73670536e+00 9.49367881e-01 8.42709014e-03 5 -2.44562207e+00 1.83371742e+00 -8.12135109e+00 6 8.01022967e+00 -1.33313275e+01 -1.57965331e+01 7 -1.71072266e+00 9.32725120e+00 -1.12710075e+00 8 1.85316556e+00 -8.47671054e+00 3.44315085e+01 9 -3.23175631e+00 -1.50942329e-01 -3.56118007e+00 10 4.77750061e+00 1.10426744e+01 -5.73522340e+00 11 7.35331209e-02 -8.17340241e+00 5.01615399e+00 12 -5.98856008e+00 2.95923275e+00 5.16607976e+00 13 -1.75010133e+00 -2.65216039e+00 -9.76091497e+00 14 1.33450926e+00 1.20641848e+00 -2.41756829e+00 15 2.90310497e+00 4.28974546e+00 1.17022392e+01 16 -9.03834995e+00 -8.17731300e+00 1.34019332e+00 17 -4.63561491e-01 -5.02410166e+00 -9.96274921e+00 18 7.03689771e+00 -2.98406883e+00 -3.84497850e+00 19 -2.47834279e+00 -1.83538631e+00 2.18466558e+00 20 1.79080302e+00 8.96006021e+00 9.44344121e+00 21 -1.99423207e+00 1.74336725e+00 6.59218767e+00 22 2.86553047e+00 1.04157056e+01 2.44677457e+00 23 6.77321890e+00 -5.62259230e+00 -7.04069677e+00 24 -7.43141677e+00 1.98693280e+00 -5.43667605e-01 25 1.16213374e+01 -4.68597618e+00 -2.04450621e+01 26 -4.43986891e+00 -1.31512914e+00 7.03726202e+00 27 -4.32174956e+00 1.21277485e+00 -1.71162540e+00 28 -1.92293386e+00 7.87188399e+00 1.59624515e+01 29 -7.30112801e-01 -5.59003441e+00 -4.24902074e+00 30 7.38171934e+00 2.07106232e+00 -5.28582393e+00 31 -3.05004810e+00 6.39290362e-01 -2.14558994e+00 32 4.76956594e-01 9.12330091e-01 2.69853138e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = C (Configuration in file "config-T-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = -91.61729717409237 Forces: 1 3.71403043e+00 1.80198946e+00 1.76024019e+00 2 1.26028511e+00 8.23712629e-01 -3.44983013e+00 3 -1.13873804e+00 -2.02837217e+00 -5.91239974e-01 4 -9.73670536e+00 9.49367881e-01 8.42709014e-03 5 -2.44562207e+00 1.83371742e+00 -8.12135109e+00 6 8.01022967e+00 -1.33313275e+01 -1.57965331e+01 7 -1.71072266e+00 9.32725120e+00 -1.12710075e+00 8 1.85316556e+00 -8.47671054e+00 3.44315085e+01 9 -3.23175631e+00 -1.50942329e-01 -3.56118007e+00 10 4.77750061e+00 1.10426744e+01 -5.73522340e+00 11 7.35331209e-02 -8.17340241e+00 5.01615399e+00 12 -5.98856008e+00 2.95923275e+00 5.16607976e+00 13 -1.75010133e+00 -2.65216039e+00 -9.76091497e+00 14 1.33450926e+00 1.20641848e+00 -2.41756829e+00 15 2.90310497e+00 4.28974546e+00 1.17022392e+01 16 -9.03834995e+00 -8.17731300e+00 1.34019332e+00 17 -4.63561491e-01 -5.02410166e+00 -9.96274921e+00 18 7.03689771e+00 -2.98406883e+00 -3.84497850e+00 19 -2.47834279e+00 -1.83538631e+00 2.18466558e+00 20 1.79080302e+00 8.96006021e+00 9.44344121e+00 21 -1.99423207e+00 1.74336725e+00 6.59218767e+00 22 2.86553047e+00 1.04157056e+01 2.44677457e+00 23 6.77321890e+00 -5.62259230e+00 -7.04069677e+00 24 -7.43141677e+00 1.98693280e+00 -5.43667605e-01 25 1.16213374e+01 -4.68597618e+00 -2.04450621e+01 26 -4.43986891e+00 -1.31512914e+00 7.03726202e+00 27 -4.32174956e+00 1.21277485e+00 -1.71162540e+00 28 -1.92293386e+00 7.87188399e+00 1.59624515e+01 29 -7.30112801e-01 -5.59003441e+00 -4.24902074e+00 30 7.38171934e+00 2.07106232e+00 -5.28582393e+00 31 -3.05004810e+00 6.39290362e-01 -2.14558994e+00 32 4.76956594e-01 9.12330091e-01 2.69853138e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -18.821508175649324 Forces: 1 3.94629555e-01 -1.16174727e+00 -1.24944219e+00 2 1.73025589e+00 -2.49698234e+00 -6.64322755e+00 3 -1.77843348e+01 -4.92161280e+00 3.53566568e+00 4 -6.65121424e+00 2.33411268e+00 3.40994651e+00 5 3.40491244e+01 -4.77361736e+00 -6.03491203e-01 6 3.19193242e+01 -4.09539387e+01 -3.28157983e+00 7 -4.39859083e+01 3.41812566e+01 8.54788551e+00 8 1.02290144e+01 -1.43183629e+01 -1.48437205e+01 9 -1.30998239e+01 -8.82750957e+00 -9.30006931e+00 10 1.35646334e+01 1.82746098e+01 -8.85503209e+00 11 5.57736685e+00 -1.28117351e+01 -9.91284966e+00 12 -9.31186874e+00 6.98447713e+00 3.07054712e-01 13 -2.86577107e+01 3.00882178e+01 -5.41029052e+00 14 1.06613902e+01 1.38841744e+01 -2.28196980e+01 15 2.21709571e+01 -4.46194367e+01 8.81258515e+00 16 -3.22065776e+01 3.88571078e+01 1.69833489e+00 17 -6.80324033e+00 1.24669441e+00 -6.38820943e+00 18 -3.23813149e+01 -3.68969538e+01 3.92484253e+00 19 9.37485448e+00 -1.49355423e+00 9.65533206e+00 20 1.59090836e+00 4.89518717e+00 -5.04720882e+00 21 1.24752395e+01 -6.48426599e+00 -3.79034861e+00 22 1.39672273e+01 -1.33883043e+01 -2.46024817e+00 23 3.77829885e+00 -2.67199889e+00 -5.31072034e+00 24 -1.53305333e+00 -1.26778574e+01 7.41098708e+00 25 -1.75621083e+01 -9.08339082e+00 8.52065947e+00 26 2.79749916e+00 2.52057212e+01 8.57170985e+00 27 -1.99940995e+01 5.53992989e+00 2.95836804e+01 28 -1.24352096e+00 -1.44344541e+00 3.50362948e+00 29 4.00461203e+01 2.92164853e+01 -6.48133656e+00 30 9.08251409e+00 2.53375777e+00 1.31816964e+01 31 7.04570571e+00 5.81688805e+00 2.10237260e+00 32 7.59711896e-01 -3.39064898e-02 -3.68909633e-01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -18.821508175649324 Forces: 1 3.94629555e-01 -1.16174727e+00 -1.24944219e+00 2 1.73025589e+00 -2.49698234e+00 -6.64322755e+00 3 -1.77843348e+01 -4.92161280e+00 3.53566568e+00 4 -6.65121424e+00 2.33411268e+00 3.40994651e+00 5 3.40491244e+01 -4.77361736e+00 -6.03491203e-01 6 3.19193242e+01 -4.09539387e+01 -3.28157983e+00 7 -4.39859083e+01 3.41812566e+01 8.54788551e+00 8 1.02290144e+01 -1.43183629e+01 -1.48437205e+01 9 -1.30998239e+01 -8.82750957e+00 -9.30006931e+00 10 1.35646334e+01 1.82746098e+01 -8.85503209e+00 11 5.57736685e+00 -1.28117351e+01 -9.91284966e+00 12 -9.31186874e+00 6.98447713e+00 3.07054712e-01 13 -2.86577107e+01 3.00882178e+01 -5.41029052e+00 14 1.06613902e+01 1.38841744e+01 -2.28196980e+01 15 2.21709571e+01 -4.46194367e+01 8.81258515e+00 16 -3.22065776e+01 3.88571078e+01 1.69833489e+00 17 -6.80324033e+00 1.24669441e+00 -6.38820943e+00 18 -3.23813149e+01 -3.68969538e+01 3.92484253e+00 19 9.37485448e+00 -1.49355423e+00 9.65533206e+00 20 1.59090836e+00 4.89518717e+00 -5.04720882e+00 21 1.24752395e+01 -6.48426599e+00 -3.79034861e+00 22 1.39672273e+01 -1.33883043e+01 -2.46024817e+00 23 3.77829885e+00 -2.67199889e+00 -5.31072034e+00 24 -1.53305333e+00 -1.26778574e+01 7.41098708e+00 25 -1.75621083e+01 -9.08339082e+00 8.52065947e+00 26 2.79749916e+00 2.52057212e+01 8.57170985e+00 27 -1.99940995e+01 5.53992989e+00 2.95836804e+01 28 -1.24352096e+00 -1.44344541e+00 3.50362948e+00 29 4.00461203e+01 2.92164853e+01 -6.48133656e+00 30 9.08251409e+00 2.53375777e+00 1.31816964e+01 31 7.04570571e+00 5.81688805e+00 2.10237260e+00 32 7.59711896e-01 -3.39064898e-02 -3.68909633e-01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Mn (Configuration in file "config-F-Mn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 170.84197801590713 Forces: 1 -1.07853113e+01 -1.02824079e+01 -5.47717393e+00 2 -7.96974856e+00 -8.74597140e+00 -5.53028523e+00 3 -2.36917701e+01 -3.38446653e+01 -2.80998352e+01 4 -8.47578517e+00 5.33079889e+00 -6.97278723e+00 5 -8.05759564e-01 -3.74499040e+00 -7.29188216e+00 6 7.82385676e+00 -4.64010201e+00 -1.47056325e+01 7 1.83253887e+01 -1.60419283e+01 6.22088956e+00 8 6.26359213e+00 1.31474778e+01 -2.38192363e+01 9 -1.08171931e+01 -3.05171271e+00 -8.71488260e+00 10 8.33450605e+00 2.04736993e+01 -3.43541635e+01 11 3.06466058e+00 -2.45572520e+01 2.42926865e+01 12 -2.41413859e+01 1.61702628e+01 3.59123054e+00 13 1.19122552e+01 9.40803994e+00 -1.18169684e+01 14 4.40212365e+00 8.30869263e+00 -8.29564406e+00 15 2.02549141e+01 4.51396708e+00 -1.29566023e+01 16 -1.60852256e+01 3.44745240e+01 -3.15377405e+01 17 -1.95570508e+01 -1.87190295e+01 -1.23534872e+01 18 -1.84323056e+01 2.26034406e+01 2.26001930e+01 19 1.65155694e+01 -1.13765259e+01 2.02007906e+01 20 -2.62366955e+01 -7.18835655e+00 1.89038679e+01 21 1.12236295e+01 -3.79279522e+01 1.46396973e+01 22 2.85483215e+01 1.52969902e+01 -2.94245597e+01 23 3.04638468e+01 -3.61700238e+01 2.52673007e+01 24 -3.36294274e+01 1.16150304e+01 2.71047875e+01 25 -1.30275908e+01 6.40433803e+00 -1.62059420e+01 26 -3.53314345e+00 6.83770444e+00 9.99006468e+00 27 1.86974174e+01 1.34757690e+01 1.33985606e+01 28 -4.45952710e+00 1.18495754e+01 9.94793256e+00 29 -1.80320292e+01 -2.06322277e+01 1.74491294e+01 30 4.42198691e+01 1.60063177e+01 2.45140100e+01 31 8.96386175e+00 1.60948918e+01 7.62912863e+00 32 6.66136609e-01 4.91162563e+00 1.18065534e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mn (Configuration in file "config-T-Mn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 170.84197801590713 Forces: 1 -1.07853113e+01 -1.02824079e+01 -5.47717393e+00 2 -7.96974856e+00 -8.74597140e+00 -5.53028523e+00 3 -2.36917701e+01 -3.38446653e+01 -2.80998352e+01 4 -8.47578517e+00 5.33079889e+00 -6.97278723e+00 5 -8.05759564e-01 -3.74499040e+00 -7.29188216e+00 6 7.82385676e+00 -4.64010201e+00 -1.47056325e+01 7 1.83253887e+01 -1.60419283e+01 6.22088956e+00 8 6.26359213e+00 1.31474778e+01 -2.38192363e+01 9 -1.08171931e+01 -3.05171271e+00 -8.71488260e+00 10 8.33450605e+00 2.04736993e+01 -3.43541635e+01 11 3.06466058e+00 -2.45572520e+01 2.42926865e+01 12 -2.41413859e+01 1.61702628e+01 3.59123054e+00 13 1.19122552e+01 9.40803994e+00 -1.18169684e+01 14 4.40212365e+00 8.30869263e+00 -8.29564406e+00 15 2.02549141e+01 4.51396708e+00 -1.29566023e+01 16 -1.60852256e+01 3.44745240e+01 -3.15377405e+01 17 -1.95570508e+01 -1.87190295e+01 -1.23534872e+01 18 -1.84323056e+01 2.26034406e+01 2.26001930e+01 19 1.65155694e+01 -1.13765259e+01 2.02007906e+01 20 -2.62366955e+01 -7.18835655e+00 1.89038679e+01 21 1.12236295e+01 -3.79279522e+01 1.46396973e+01 22 2.85483215e+01 1.52969902e+01 -2.94245597e+01 23 3.04638468e+01 -3.61700238e+01 2.52673007e+01 24 -3.36294274e+01 1.16150304e+01 2.71047875e+01 25 -1.30275908e+01 6.40433803e+00 -1.62059420e+01 26 -3.53314345e+00 6.83770444e+00 9.99006468e+00 27 1.86974174e+01 1.34757690e+01 1.33985606e+01 28 -4.45952710e+00 1.18495754e+01 9.94793256e+00 29 -1.80320292e+01 -2.06322277e+01 1.74491294e+01 30 4.42198691e+01 1.60063177e+01 2.45140100e+01 31 8.96386175e+00 1.60948918e+01 7.62912863e+00 32 6.66136609e-01 4.91162563e+00 1.18065534e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1648.1299751071015 Forces: 1 -3.50745061e+02 -1.04451832e+02 -3.53862654e+02 2 -5.11970770e+02 -6.67046858e+02 -4.77623906e+02 3 2.31545189e+02 3.71631388e+01 4.41832515e+02 4 -9.82298416e+01 -5.07390244e+01 4.96831605e+01 5 2.30987702e+02 -8.35726423e+01 -9.37350692e+01 6 1.74497381e+01 -1.95893924e+01 -8.28963583e+01 7 -1.09175672e+01 -3.21587364e+01 4.90945015e+00 8 6.05912959e+01 -4.52953981e+02 2.06609190e+02 9 -1.19443100e+02 -6.17866605e+01 -2.57295448e+01 10 3.38710207e+01 9.25494503e+01 -9.34953611e+01 11 -3.63388770e+02 3.60514586e+02 5.39870171e+02 12 -1.26341881e+02 6.04075702e+01 -1.38745281e+02 13 5.89958637e+02 7.48820766e+02 -4.28984750e+02 14 2.84180063e+01 1.54592239e+01 -7.82745002e+00 15 1.91258137e+02 2.09775285e+02 -4.89215013e+00 16 9.08758006e+01 -1.75376003e+01 1.15858200e+02 17 -3.51626405e+01 -9.56038038e+01 4.26792392e+01 18 9.78049052e+01 1.45309041e+02 -1.43091368e+02 19 -4.14319648e+02 -3.88091465e+02 3.73527430e+02 20 -1.71244330e+02 1.03947583e+02 1.31267473e+02 21 2.94953096e+02 -1.65935673e+02 -7.83338357e+02 22 4.97922472e+02 -3.31416520e+02 8.38829298e+01 23 3.29046640e+00 6.78143258e+00 7.30691429e+00 24 1.91349962e+02 5.29785734e+02 4.18775907e+02 25 -2.47638322e+02 -2.36445032e+02 -2.12523830e+02 26 -1.24190599e+02 -1.26686316e+02 -6.16434029e+02 27 6.65550432e+02 -7.63032622e+02 1.20004502e+02 28 -6.20705098e+02 7.37901888e+02 3.29940542e+02 29 -5.84875091e+02 3.51479185e+02 6.18002596e+01 30 -7.81796983e+01 1.99285752e+02 -2.43611149e+02 31 1.24043531e+02 -2.60622909e+02 2.71948858e+02 32 5.07482026e+02 2.58490431e+02 5.06894516e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1648.1299751071015 Forces: 1 -3.50745061e+02 -1.04451832e+02 -3.53862654e+02 2 -5.11970770e+02 -6.67046858e+02 -4.77623906e+02 3 2.31545189e+02 3.71631388e+01 4.41832515e+02 4 -9.82298416e+01 -5.07390244e+01 4.96831605e+01 5 2.30987702e+02 -8.35726423e+01 -9.37350692e+01 6 1.74497381e+01 -1.95893924e+01 -8.28963583e+01 7 -1.09175672e+01 -3.21587364e+01 4.90945015e+00 8 6.05912959e+01 -4.52953981e+02 2.06609190e+02 9 -1.19443100e+02 -6.17866605e+01 -2.57295448e+01 10 3.38710207e+01 9.25494503e+01 -9.34953611e+01 11 -3.63388770e+02 3.60514586e+02 5.39870171e+02 12 -1.26341881e+02 6.04075702e+01 -1.38745281e+02 13 5.89958637e+02 7.48820766e+02 -4.28984750e+02 14 2.84180063e+01 1.54592239e+01 -7.82745002e+00 15 1.91258137e+02 2.09775285e+02 -4.89215013e+00 16 9.08758006e+01 -1.75376003e+01 1.15858200e+02 17 -3.51626405e+01 -9.56038038e+01 4.26792392e+01 18 9.78049052e+01 1.45309041e+02 -1.43091368e+02 19 -4.14319648e+02 -3.88091465e+02 3.73527430e+02 20 -1.71244330e+02 1.03947583e+02 1.31267473e+02 21 2.94953096e+02 -1.65935673e+02 -7.83338357e+02 22 4.97922472e+02 -3.31416520e+02 8.38829298e+01 23 3.29046640e+00 6.78143258e+00 7.30691429e+00 24 1.91349962e+02 5.29785734e+02 4.18775907e+02 25 -2.47638322e+02 -2.36445032e+02 -2.12523830e+02 26 -1.24190599e+02 -1.26686316e+02 -6.16434029e+02 27 6.65550432e+02 -7.63032622e+02 1.20004502e+02 28 -6.20705098e+02 7.37901888e+02 3.29940542e+02 29 -5.84875091e+02 3.51479185e+02 6.18002596e+01 30 -7.81796983e+01 1.99285752e+02 -2.43611149e+02 31 1.24043531e+02 -2.60622909e+02 2.71948858e+02 32 5.07482026e+02 2.58490431e+02 5.06894516e+02 MIXED STRUCTURE (pbc=False)-- Species = C Fe Mn Si (Configuration in file "config-F-CFeMnSi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 541.1911095303977 Forces: 1 -3.50170266e+02 -5.63713541e+01 -3.96543055e+02 2 2.36696272e+01 9.04088795e+01 -1.18050579e+02 3 3.58951179e+02 -1.58589761e+02 4.24982840e+02 4 -4.01185458e+01 1.08825998e+02 6.97977077e+01 5 2.23555824e+01 -2.43303325e+01 -4.61975660e+01 6 3.37471277e+02 -5.67655920e+02 -3.57712118e+02 7 2.26143508e+01 -3.04290663e+01 -1.42343035e+01 8 -5.23961598e+01 8.86947391e+01 6.91771877e+01 9 -9.68072672e+00 -5.08730657e+00 1.41641395e+00 10 1.39670247e+00 -2.67010485e+00 -9.11653699e+00 11 4.50325184e+01 1.47913578e+02 -2.02139072e+02 12 -8.04857470e+00 -4.59332488e+00 9.59225218e+00 13 -1.27482205e+02 3.24619841e+02 9.20807295e+01 14 7.06569967e+00 1.34112485e+01 -4.87554240e+01 15 -7.25807105e+01 3.84666307e+02 2.40963332e+02 16 -2.03850845e+01 -3.75712962e+00 3.45589487e+01 17 6.27841390e+00 -5.57727202e+00 1.93327176e+01 18 -4.77576665e+01 -1.51360183e+02 1.69943175e+02 19 -9.90124527e-01 -1.30413316e+01 1.92570980e+01 20 -9.81017667e+00 -3.69713727e+00 -1.18998033e+00 21 1.01146851e+02 -1.43886601e+02 1.73776252e+02 22 -1.87106665e+02 -8.38144415e+01 -1.66005259e+02 23 1.72832573e+01 -2.68599629e+01 4.54831765e+01 24 -3.25539193e+00 2.01086754e+01 4.46112982e+01 25 -6.59902102e+01 2.75572794e+01 2.21321812e+01 26 -1.00401696e+02 4.66803802e+01 2.04941040e+01 27 1.06669318e+02 -2.29866690e+02 -4.75605456e+01 28 -6.71714649e+01 1.15060063e+02 -1.27082972e+01 29 1.01757689e+01 6.17966616e+01 -1.08233881e+02 30 6.26412435e+00 6.39292356e+00 -7.70811483e+00 31 2.60778453e+01 -8.30050752e+00 3.35428453e+01 32 7.08931527e+01 8.37518527e+01 4.50124736e+01 MIXED STRUCTURE (pbc=True)-- Species = C Fe Mn Si (Configuration in file "config-T-CFeMnSi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 561.7054811490397 Forces: 1 -3.45302516e+02 -9.97092477e+01 -3.74573540e+02 2 2.99566902e+01 7.18669008e+01 -1.11425054e+02 3 3.66350044e+02 -1.24267979e+02 3.97711719e+02 4 3.08613220e+01 9.91186058e+01 6.77008465e+01 5 2.38760804e+01 -6.50168103e-01 -3.65483175e+01 6 3.48601217e+02 -5.11138251e+02 -1.06885608e+02 7 4.23203431e+01 -3.30880131e+01 4.75963949e+01 8 -2.61779101e+01 9.43282237e+01 1.92194564e+01 9 2.21706743e+00 3.53835733e+00 1.97661885e+01 10 -1.61647470e+01 4.13403817e+01 3.47838997e+01 11 1.74208436e+00 1.59628909e+02 -1.72650601e+02 12 -3.15588475e+01 -9.35388769e+00 -3.88870887e+00 13 -1.91436298e+02 2.66649748e+02 -5.05860107e+01 14 1.88921270e+01 3.27971770e+01 -4.87796174e+01 15 -2.48459645e+01 2.87167547e+02 1.75164586e+02 16 -6.32825888e+00 -2.32354207e+01 2.76613924e+01 17 1.64405858e+01 -3.44856305e+01 -8.65762949e-01 18 -6.73806659e+01 -1.32733312e+02 1.83733246e+02 19 6.11928314e+00 -3.01770577e+01 -4.30256193e+00 20 -1.35513825e+01 -1.09647531e+01 4.63055167e+00 21 7.14406856e+01 -1.05057257e+02 1.63626154e+02 22 -2.26178606e+02 -6.18904422e+01 -1.84171748e+02 23 1.60306939e+01 -2.79984872e+01 4.23539877e+01 24 -5.65922377e+01 5.65562635e+01 4.34936747e+01 25 -2.76615506e+01 1.87501829e+01 -3.98849748e+00 26 -5.25610485e+01 6.76821135e+01 -4.56357749e+01 27 2.67270810e+01 -1.54967648e+02 1.68904416e+01 28 -1.45687120e+01 4.42369718e+01 -2.89049953e+01 29 8.65366904e+00 6.49479899e+01 -9.55746753e+01 30 2.72399526e+01 -2.14103009e+01 -1.65438841e+01 31 -4.43405926e+00 6.77469667e+00 1.64057678e+01 32 6.72738776e+01 6.57437867e+01 2.45870503e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1445680== Memcheck, a memory error detector ==1445680== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1445680== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1445680== Command: python runner2.py MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001 ==1445680== ==1446384== Warning: invalid file descriptor 1024 in syscall close() ==1446384== Warning: invalid file descriptor 1025 in syscall close() ==1446384== Warning: invalid file descriptor 1026 in syscall close() ==1446384== Warning: invalid file descriptor 1027 in syscall close() ==1446384== Use --log-fd= to select an alternative log fd. ==1446384== Warning: invalid file descriptor 1028 in syscall close() ==1446384== Warning: invalid file descriptor 1029 in syscall close() ==1445680== Mismatched free() / delete / delete [] ==1445680== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1445680== by 0x12C78438C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== 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) ==1445680== 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) ==1445680== 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) ==1445680== 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) ==1445680== 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) ==1445680== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1445680== Address 0xa8f7d4c0 is 0 bytes inside a block of size 1,024 alloc'd ==1445680== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1445680== by 0x12C783B11: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== 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) ==1445680== 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) ==1445680== 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) ==1445680== 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) ==1445680== 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) ==1445680== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1445680== ==1445680== Mismatched free() / delete / delete [] ==1445680== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1445680== by 0x12C77EDBD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== 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) ==1445680== 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) ==1445680== 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) ==1445680== 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) ==1445680== 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) ==1445680== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1445680== Address 0xa8f7f220 is 0 bytes inside a block of size 1,024 alloc'd ==1445680== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1445680== by 0x12C77EB9B: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-b3d911de-4fa6-4783-8f80-d0819584a5de-007-83f9f526-d72b-408f-8cec-e295129de828/VC_561022993723_004-and-MO_427873955970_001-1669765227/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1445680== 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) ==1445680== 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) ==1445680== 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) ==1445680== 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) ==1445680== 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) ==1445680== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1445680== ==1445680== ==1445680== HEAP SUMMARY: ==1445680== in use at exit: 2,257,767 bytes in 1,704 blocks ==1445680== total heap usage: 137,100 allocs, 135,396 frees, 162,235,849 bytes allocated ==1445680== ==1445680== LEAK SUMMARY: ==1445680== definitely lost: 0 bytes in 0 blocks ==1445680== indirectly lost: 0 bytes in 0 blocks ==1445680== possibly lost: 180,827 bytes in 103 blocks ==1445680== still reachable: 2,076,908 bytes in 1,600 blocks ==1445680== of which reachable via heuristic: ==1445680== stdstring : 38 bytes in 1 blocks ==1445680== suppressed: 32 bytes in 1 blocks ==1445680== Rerun with --leak-check=full to see details of leaked memory ==1445680== ==1445680== For lists of detected and suppressed errors, rerun with: -s ==1445680== ERROR SUMMARY: 32 errors from 2 contexts (suppressed: 8336 from 569) ================================================================================ 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.