!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_WuLeeSu_2017_NiCrFe__MO_912636107108_001 Supported species : Cr Fe Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cr (Configuration in file "config-F-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 61.20191313115482 Forces: 1 -5.75772601e+00 -9.43455551e+00 -1.50813335e+01 2 -8.62025820e+00 1.17673025e+01 -9.61784929e+00 3 1.84336180e+00 -7.73571633e+00 1.17435913e+01 4 -8.03033963e+00 6.98845981e+00 6.03663175e+00 5 3.03287397e+00 -2.19435026e+01 -1.05011330e+01 6 1.45709335e+01 2.16985586e+01 -3.00793424e+01 7 7.71108911e+00 -6.10457084e+01 -2.08401487e+01 8 -2.41310529e+01 -1.75646045e+01 -2.34785019e+00 9 -1.36229353e+01 -1.38065658e+01 -2.43077875e+01 10 -1.04859796e+01 2.86077862e+01 -2.98447997e+01 11 -7.84272923e+00 -2.33067861e+01 1.64345072e+01 12 -1.31827716e+01 2.00227024e+01 1.12332398e+01 13 -9.76622639e+00 -2.10508433e+01 -6.34037382e+01 14 1.03760129e+01 1.44287943e+01 -9.45865481e+00 15 5.74120635e+01 -1.00655125e+01 2.09282732e+01 16 9.00187405e+00 4.11740311e+01 2.20347758e+01 17 -1.70190662e+01 -1.20857991e+01 -9.76561034e+00 18 7.51858483e+00 1.36848810e+01 -1.44899711e+01 19 7.93099247e+00 -1.61399445e+01 1.48660971e+01 20 -8.31762100e+00 9.85022344e+00 1.09426314e+01 21 -2.51327691e+01 -1.63454015e+01 8.18175462e+00 22 3.29202508e+01 4.32352581e+01 3.82241945e+01 23 8.08748243e+00 -1.50688254e-01 1.12831818e+01 24 4.82631070e+00 -5.25360092e+00 9.10404346e+00 25 -9.99377620e+00 -4.81526944e+00 3.83874479e+00 26 -9.68174467e+00 2.07778963e+01 -1.35714442e+01 27 2.84748749e+01 -5.35097238e+01 1.45562171e+01 28 -5.04632276e+01 4.40273099e+01 8.13924909e+00 29 -1.11036457e+01 -8.20973676e+00 8.61308076e+00 30 8.65921265e+00 1.48332909e+01 1.58206618e+00 31 1.98890242e+01 -9.18069105e+00 1.44519099e+01 32 1.08969275e+01 2.05481557e+01 2.11154732e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cr (Configuration in file "config-T-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 61.20191313115482 Forces: 1 -5.75772601e+00 -9.43455551e+00 -1.50813335e+01 2 -8.62025820e+00 1.17673025e+01 -9.61784929e+00 3 1.84336180e+00 -7.73571633e+00 1.17435913e+01 4 -8.03033963e+00 6.98845981e+00 6.03663175e+00 5 3.03287397e+00 -2.19435026e+01 -1.05011330e+01 6 1.45709335e+01 2.16985586e+01 -3.00793424e+01 7 7.71108911e+00 -6.10457084e+01 -2.08401487e+01 8 -2.41310529e+01 -1.75646045e+01 -2.34785019e+00 9 -1.36229353e+01 -1.38065658e+01 -2.43077875e+01 10 -1.04859796e+01 2.86077862e+01 -2.98447997e+01 11 -7.84272923e+00 -2.33067861e+01 1.64345072e+01 12 -1.31827716e+01 2.00227024e+01 1.12332398e+01 13 -9.76622639e+00 -2.10508433e+01 -6.34037382e+01 14 1.03760129e+01 1.44287943e+01 -9.45865481e+00 15 5.74120635e+01 -1.00655125e+01 2.09282732e+01 16 9.00187405e+00 4.11740311e+01 2.20347758e+01 17 -1.70190662e+01 -1.20857991e+01 -9.76561034e+00 18 7.51858483e+00 1.36848810e+01 -1.44899711e+01 19 7.93099247e+00 -1.61399445e+01 1.48660971e+01 20 -8.31762100e+00 9.85022344e+00 1.09426314e+01 21 -2.51327691e+01 -1.63454015e+01 8.18175462e+00 22 3.29202508e+01 4.32352581e+01 3.82241945e+01 23 8.08748243e+00 -1.50688254e-01 1.12831818e+01 24 4.82631070e+00 -5.25360092e+00 9.10404346e+00 25 -9.99377620e+00 -4.81526944e+00 3.83874479e+00 26 -9.68174467e+00 2.07778963e+01 -1.35714442e+01 27 2.84748749e+01 -5.35097238e+01 1.45562171e+01 28 -5.04632276e+01 4.40273099e+01 8.13924909e+00 29 -1.11036457e+01 -8.20973676e+00 8.61308076e+00 30 8.65921265e+00 1.48332909e+01 1.58206618e+00 31 1.98890242e+01 -9.18069105e+00 1.44519099e+01 32 1.08969275e+01 2.05481557e+01 2.11154732e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -8.145534154500794 Forces: 1 -4.75197241e+00 -4.81625428e+00 1.10514883e-02 2 -7.08416161e+00 6.05039114e+00 -6.81096054e+00 3 -9.59868725e-01 -2.57907783e+01 -2.06052089e+01 4 -1.04567028e+01 -7.92598967e+00 -1.33730652e+01 5 3.10460480e+00 -9.52886645e+00 -5.89456095e+00 6 5.72256353e+00 4.25651133e-01 -1.94015181e+00 7 7.16781478e+00 -1.94911861e+00 -1.40864876e-01 8 2.24639696e+01 -7.69617652e+00 3.61308492e+00 9 -7.45340911e+00 -4.75078438e+00 -1.01670676e+01 10 -3.66037210e+00 6.72199945e+00 -1.16326607e+01 11 -1.24262535e+01 1.12713085e+00 2.06757614e+00 12 -1.36208336e+01 1.10665604e+01 2.74553662e+00 13 5.26876318e+00 3.45733056e+00 -1.38725387e+01 14 5.76854376e+00 3.29034012e+00 -3.89136304e+00 15 2.97669807e+00 -4.95499728e-01 -6.22465750e+00 16 1.52810603e+01 8.80702512e+00 -1.94866995e+00 17 -2.09006697e+01 -1.60723160e+01 -1.48070672e+01 18 1.96394362e-01 2.00989326e+01 1.90271938e+01 19 2.13909607e+01 -6.64388912e+00 2.10973575e+01 20 -9.85338591e+00 6.96807598e+00 1.07406766e+01 21 1.09155485e+00 -4.97835151e+00 6.13326221e+00 22 2.94691656e+00 -3.87355216e+00 -1.69068231e-01 23 4.28833368e+00 -3.14471682e+00 4.48037387e+00 24 4.60475920e+00 -7.56678018e+00 7.01345489e+00 25 -5.15514146e+00 1.01999067e+01 4.69056725e+00 26 -9.76155869e+00 1.20895548e+01 1.29893004e+01 27 -3.26416914e+01 -3.00107803e+00 2.77218273e+01 28 -9.37982548e-02 1.89796514e+00 2.08940908e+00 29 2.91547922e+01 -1.91527240e+00 -2.72357336e+01 30 2.41099446e+00 6.93121789e+00 -2.52075675e-01 31 3.46535069e+00 -5.24211750e-01 4.70166052e+00 32 1.51574453e+00 1.15415540e+01 9.84338202e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -8.145534154500794 Forces: 1 -4.75197241e+00 -4.81625428e+00 1.10514883e-02 2 -7.08416161e+00 6.05039114e+00 -6.81096054e+00 3 -9.59868725e-01 -2.57907783e+01 -2.06052089e+01 4 -1.04567028e+01 -7.92598967e+00 -1.33730652e+01 5 3.10460480e+00 -9.52886645e+00 -5.89456095e+00 6 5.72256353e+00 4.25651133e-01 -1.94015181e+00 7 7.16781478e+00 -1.94911861e+00 -1.40864876e-01 8 2.24639696e+01 -7.69617652e+00 3.61308492e+00 9 -7.45340911e+00 -4.75078438e+00 -1.01670676e+01 10 -3.66037210e+00 6.72199945e+00 -1.16326607e+01 11 -1.24262535e+01 1.12713085e+00 2.06757614e+00 12 -1.36208336e+01 1.10665604e+01 2.74553662e+00 13 5.26876318e+00 3.45733056e+00 -1.38725387e+01 14 5.76854376e+00 3.29034012e+00 -3.89136304e+00 15 2.97669807e+00 -4.95499728e-01 -6.22465750e+00 16 1.52810603e+01 8.80702512e+00 -1.94866995e+00 17 -2.09006697e+01 -1.60723160e+01 -1.48070672e+01 18 1.96394362e-01 2.00989326e+01 1.90271938e+01 19 2.13909607e+01 -6.64388912e+00 2.10973575e+01 20 -9.85338591e+00 6.96807598e+00 1.07406766e+01 21 1.09155485e+00 -4.97835151e+00 6.13326221e+00 22 2.94691656e+00 -3.87355216e+00 -1.69068231e-01 23 4.28833368e+00 -3.14471682e+00 4.48037387e+00 24 4.60475920e+00 -7.56678018e+00 7.01345489e+00 25 -5.15514146e+00 1.01999067e+01 4.69056725e+00 26 -9.76155869e+00 1.20895548e+01 1.29893004e+01 27 -3.26416914e+01 -3.00107803e+00 2.77218273e+01 28 -9.37982548e-02 1.89796514e+00 2.08940908e+00 29 2.91547922e+01 -1.91527240e+00 -2.72357336e+01 30 2.41099446e+00 6.93121789e+00 -2.52075675e-01 31 3.46535069e+00 -5.24211750e-01 4.70166052e+00 32 1.51574453e+00 1.15415540e+01 9.84338202e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -13.371572297942159 Forces: 1 -2.92643312e+00 -3.15840027e+00 -5.72982752e+00 2 4.14715732e+00 -3.94639462e+00 -2.11954766e+00 3 1.97593561e+01 -7.65359519e+00 -1.69681637e+01 4 -6.88676846e+00 8.42922215e+00 -3.00968738e+00 5 -7.19037853e-01 4.18318879e-01 4.44724915e-01 6 1.20719229e+01 -1.04879421e+01 -3.99316472e+00 7 9.21619015e+00 -6.76089648e+00 -1.16388606e+01 8 -3.26493124e-01 -1.32885323e+01 -5.38330944e+00 9 -6.75830727e+00 -7.12287317e+00 -1.42754966e+01 10 -2.32013097e+00 4.81361583e+00 -7.15038469e+00 11 -2.65258012e+01 -6.84372480e+00 -1.71828242e+01 12 -5.41823642e+00 3.07294506e+01 -1.07355697e+01 13 -1.03299960e+01 1.07890458e+01 -1.02892089e+01 14 1.00639589e+00 8.96209379e+00 -9.48916120e+00 15 4.65117088e+00 -4.74822332e+00 8.43941163e+00 16 1.03526365e+01 1.51977979e+01 -6.89944308e+00 17 -3.38054614e+01 -7.02046901e+00 7.32957100e+00 18 6.59915759e+00 -1.78567498e+01 -2.78597707e+01 19 1.40541170e+01 -7.29865108e+00 1.87908777e+01 20 -1.52645826e+01 -9.59841926e+00 9.22598645e+00 21 -1.88218069e+01 -9.02589655e+00 -1.71084333e+00 22 1.23000896e+01 1.13700988e+01 4.24801452e+00 23 1.11425838e+01 -9.71509762e+00 1.07721205e+01 24 -2.44535193e+00 6.34647992e+00 5.06334866e+00 25 -6.91252187e+00 -2.82769828e+01 1.00070836e+01 26 2.91232238e+00 9.96891231e+00 7.12156089e+00 27 1.16276591e+01 3.44454510e+01 2.50842472e+01 28 -3.61876932e+00 1.06733134e+01 1.14067486e+01 29 1.88715579e+01 -3.55918149e+00 3.10219938e+01 30 2.29802183e+01 1.30342198e+00 -2.06998789e+01 31 4.39708330e+00 -7.63863398e+00 7.16978875e+00 32 -2.30099204e+01 1.05534415e+01 1.90096643e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -13.371572297942159 Forces: 1 -2.92643312e+00 -3.15840027e+00 -5.72982752e+00 2 4.14715732e+00 -3.94639462e+00 -2.11954766e+00 3 1.97593561e+01 -7.65359519e+00 -1.69681637e+01 4 -6.88676846e+00 8.42922215e+00 -3.00968738e+00 5 -7.19037853e-01 4.18318879e-01 4.44724915e-01 6 1.20719229e+01 -1.04879421e+01 -3.99316472e+00 7 9.21619015e+00 -6.76089648e+00 -1.16388606e+01 8 -3.26493124e-01 -1.32885323e+01 -5.38330944e+00 9 -6.75830727e+00 -7.12287317e+00 -1.42754966e+01 10 -2.32013097e+00 4.81361583e+00 -7.15038469e+00 11 -2.65258012e+01 -6.84372480e+00 -1.71828242e+01 12 -5.41823642e+00 3.07294506e+01 -1.07355697e+01 13 -1.03299960e+01 1.07890458e+01 -1.02892089e+01 14 1.00639589e+00 8.96209379e+00 -9.48916120e+00 15 4.65117088e+00 -4.74822332e+00 8.43941163e+00 16 1.03526365e+01 1.51977979e+01 -6.89944308e+00 17 -3.38054614e+01 -7.02046901e+00 7.32957100e+00 18 6.59915759e+00 -1.78567498e+01 -2.78597707e+01 19 1.40541170e+01 -7.29865108e+00 1.87908777e+01 20 -1.52645826e+01 -9.59841926e+00 9.22598645e+00 21 -1.88218069e+01 -9.02589655e+00 -1.71084333e+00 22 1.23000896e+01 1.13700988e+01 4.24801452e+00 23 1.11425838e+01 -9.71509762e+00 1.07721205e+01 24 -2.44535193e+00 6.34647992e+00 5.06334866e+00 25 -6.91252187e+00 -2.82769828e+01 1.00070836e+01 26 2.91232238e+00 9.96891231e+00 7.12156089e+00 27 1.16276591e+01 3.44454510e+01 2.50842472e+01 28 -3.61876932e+00 1.06733134e+01 1.14067486e+01 29 1.88715579e+01 -3.55918149e+00 3.10219938e+01 30 2.29802183e+01 1.30342198e+00 -2.06998789e+01 31 4.39708330e+00 -7.63863398e+00 7.16978875e+00 32 -2.30099204e+01 1.05534415e+01 1.90096643e+01 MIXED STRUCTURE (pbc=False)-- Species = Cr Fe Ni (Configuration in file "config-F-CrFeNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 57.530144489735534 Forces: 1 -2.75406001e+01 -1.94547847e+01 -1.48895745e+01 2 6.35381656e+00 3.48313986e+01 -1.59993606e+01 3 -1.10698203e+01 -5.43798528e+01 -3.02785523e+01 4 -3.96757089e+01 -7.12228389e-01 -1.30783251e+01 5 2.24975920e+01 -2.34170670e+01 -1.20529133e+01 6 2.32980012e+01 -6.90310115e+00 -1.62089501e+01 7 1.78818839e+01 -1.69238712e+01 -1.04223960e+01 8 -6.33831195e+00 1.56004700e+01 8.89209463e+00 9 -1.19161772e+01 -2.37351673e+00 -1.17797169e+01 10 -2.95133348e+00 7.42380786e+00 -2.50001558e+01 11 4.27376604e+01 1.22377428e+01 -2.22181178e+01 12 -1.23399966e+01 1.25016330e+01 8.46107532e+00 13 -1.57334510e+01 7.36016405e+00 -1.31450246e+01 14 6.97997175e+00 1.14740410e+01 -1.13635811e+01 15 1.06017521e+01 -5.47989881e+00 9.31019441e+00 16 1.01187588e+01 8.02535329e+00 1.46503567e+01 17 -1.94889948e+01 -1.60177080e+01 9.01062459e+00 18 8.34159255e+00 3.36266369e+01 3.70550623e+01 19 6.03397964e+00 -9.85554968e+00 8.93509667e+00 20 -1.80592601e+01 -2.86294509e+00 3.87508937e+00 21 3.28981035e+01 -2.50129263e+01 3.48602319e+01 22 9.67800252e+00 1.48481667e+01 -4.11815981e+00 23 1.05804938e+01 -2.26880223e+01 1.05353881e+01 24 -1.23816975e+01 1.31122456e+01 5.60700097e+00 25 -4.23785265e+01 1.66382048e+01 2.90928407e+01 26 -2.79758454e+01 1.48859353e+01 -1.86044446e+01 27 1.07657204e+01 4.52254988e+00 9.27838034e+00 28 -4.99105504e+00 3.12083650e+00 1.59429447e+00 29 3.47618294e+00 -2.95791164e+01 -1.06969028e+01 30 1.19542721e+01 1.87146886e+01 -1.19371562e+01 31 1.06048652e+01 -1.30694058e+01 1.60687033e+01 32 8.03812947e+00 1.98061195e+01 3.45668977e+01 MIXED STRUCTURE (pbc=True)-- Species = Cr Fe Ni (Configuration in file "config-T-CrFeNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 77.09518800242208 Forces: 1 -3.08871365e+01 -1.25373618e+01 -9.12222464e+00 2 5.88532075e+00 2.97066732e+01 -8.03193495e+00 3 -1.07646813e+01 -4.59238119e+01 -2.94277267e+01 4 -3.60743639e+01 1.60490761e+00 -1.39395145e+01 5 2.28766020e+01 -1.10234365e+01 -1.12662391e+01 6 2.54457087e+01 -4.47104031e+00 -9.41330139e+00 7 1.21522573e+01 -1.47032070e+01 -1.15307357e+01 8 -6.14984255e+00 1.59662327e+01 9.61461315e+00 9 -1.35015030e+01 -3.98122882e+00 -1.94986426e+00 10 1.47867101e+00 4.87688845e-01 -1.61063976e+01 11 4.18873186e+01 1.36051565e+01 -2.24740145e+01 12 -5.73614915e+00 7.97837535e+00 8.59148076e+00 13 -1.38139696e+01 8.83264047e+00 -9.07277274e+00 14 5.16685513e+00 1.19302815e+01 -7.69026559e+00 15 4.74253204e+00 -7.69260751e+00 9.64073858e+00 16 9.57382247e+00 -4.66918822e+00 1.67418548e+01 17 -1.19669887e+01 -1.44428565e+01 1.02313098e+01 18 9.42821620e+00 3.20096150e+01 4.05269711e+01 19 9.85284870e+00 -5.41938634e+00 -3.96221339e+00 20 -1.45594850e+01 -3.19571106e+00 1.04683260e+00 21 3.17993508e+01 -1.89906850e+01 3.45614009e+01 22 -1.47980194e+00 1.71570836e+01 -3.88033084e+00 23 1.99445444e+01 -8.64102958e+00 1.49202540e+01 24 -1.80164914e+01 1.44087009e+01 -9.18503172e+00 25 -3.80299631e+01 1.60460842e+01 2.98506963e+01 26 -2.70765528e+01 1.04812158e+01 -1.82511507e+01 27 1.42179659e+01 2.54453076e+00 -9.20118812e-01 28 -1.17306977e+00 2.44408084e+00 -1.81727972e+00 29 3.84170436e+00 -3.06178384e+01 -1.20161667e+01 30 9.19218563e+00 7.36516118e+00 -2.10683774e+01 31 4.93343346e+00 -1.76841942e+01 1.24577603e+01 32 -3.18933874e+00 1.14251546e+01 3.29417489e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==96307== Memcheck, a memory error detector ==96307== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==96307== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==96307== Command: python runner2.py MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_001 ==96307== ==96857== Warning: invalid file descriptor 255988 in syscall close() ==96857== Warning: invalid file descriptor 255989 in syscall close() ==96857== Warning: invalid file descriptor 255990 in syscall close() ==96857== Warning: invalid file descriptor 255991 in syscall close() ==96857== Use --log-fd= to select an alternative log fd. ==96857== Warning: invalid file descriptor 255992 in syscall close() ==96857== Warning: invalid file descriptor 255993 in syscall close() ==96307== Mismatched free() / delete / delete [] ==96307== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==96307== by 0x119B9C39C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x119A6F54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x119A70C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x119A59DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x119A5D5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x57E37F1E: 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) ==96307== by 0x57E38E18: 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) ==96307== by 0x57E3D762: 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) ==96307== by 0x57DED246: 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) ==96307== by 0x44E4E4C7: 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) ==96307== by 0x44E622E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==96307== Address 0x91edd670 is 0 bytes inside a block of size 1,024 alloc'd ==96307== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==96307== by 0x119B9BB21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x119A6F54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x119A70C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x119A59DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x119A5D5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x57E37F1E: 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) ==96307== by 0x57E38E18: 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) ==96307== by 0x57E3D762: 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) ==96307== by 0x57DED246: 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) ==96307== by 0x44E4E4C7: 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) ==96307== by 0x44E622E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==96307== ==96307== Mismatched free() / delete / delete [] ==96307== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==96307== by 0x119B96DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x119A6F578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x119A70C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x119A59DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x119A5D5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x57E37F1E: 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) ==96307== by 0x57E38E18: 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) ==96307== by 0x57E3D762: 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) ==96307== by 0x57DED246: 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) ==96307== by 0x44E4E4C7: 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) ==96307== by 0x44E622E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==96307== Address 0x91edee80 is 0 bytes inside a block of size 1,024 alloc'd ==96307== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==96307== by 0x119B96BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x119A6F578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x119A70C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x119A59DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x119A5D5CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-30045db5-af32-4f40-9dc2-a5b04573220d-007-01d4f1d5-86f8-4780-8f9f-066b6a3ae085/VC_561022993723_003-and-MO_912636107108_001-1657581191/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==96307== by 0x57E37F1E: 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) ==96307== by 0x57E38E18: 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) ==96307== by 0x57E3D762: 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) ==96307== by 0x57DED246: 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) ==96307== by 0x44E4E4C7: 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) ==96307== by 0x44E622E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==96307== ==96307== ==96307== HEAP SUMMARY: ==96307== in use at exit: 2,203,207 bytes in 1,644 blocks ==96307== total heap usage: 117,804 allocs, 116,160 frees, 142,618,561 bytes allocated ==96307== ==96307== LEAK SUMMARY: ==96307== definitely lost: 0 bytes in 0 blocks ==96307== indirectly lost: 0 bytes in 0 blocks ==96307== possibly lost: 198,622 bytes in 101 blocks ==96307== still reachable: 2,004,553 bytes in 1,542 blocks ==96307== suppressed: 32 bytes in 1 blocks ==96307== Rerun with --leak-check=full to see details of leaked memory ==96307== ==96307== For lists of detected and suppressed errors, rerun with: -s ==96307== ERROR SUMMARY: 26 errors from 2 contexts (suppressed: 9449 from 557) ================================================================================ 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.