!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_001 Supported species : Al N Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 168.1836715349846 Forces: 1 -8.74290533e+00 -9.10370322e+00 -1.25921013e+01 2 -1.25079440e+01 1.52207398e+01 -2.05500574e+01 3 2.49583650e+00 -1.72585785e+01 -1.43743666e+00 4 -1.20946738e+01 7.10591485e+00 5.53366060e+00 5 1.53395774e+01 -1.96156702e+01 -2.95525014e+00 6 8.47724941e+00 -1.15924384e+00 -1.02032788e+01 7 7.34302852e+00 -3.44960204e+01 -3.12951467e+01 8 -1.07648947e+01 5.10526265e-01 -8.09472938e-01 9 -2.35232852e+01 -1.67224235e+01 -2.88843197e+01 10 6.71367763e+00 3.61678567e+01 -2.94719629e+01 11 -5.40189446e-01 -3.37788476e+01 1.09180754e+01 12 -2.50384668e+01 2.34186173e+01 7.06058756e+00 13 -2.81935922e+00 -1.42961563e+01 -4.74718983e+01 14 1.83271275e+01 1.61627427e+01 -1.87985377e+01 15 3.07846888e+01 -6.39237404e+00 1.25138901e+01 16 -5.93784225e+00 3.05299567e+01 1.95931237e+01 17 -1.91897571e+01 -1.28693245e+01 -7.74285144e+00 18 7.36599388e+00 1.43176781e+01 -8.52797626e+00 19 8.95009786e+00 -1.66732135e+01 1.96696291e+01 20 -1.36428558e+01 1.11064013e+01 1.35244932e+01 21 -1.45810701e+01 -1.91081866e+01 1.13999218e+01 22 2.90538308e+01 2.89669369e+01 2.40152348e+01 23 6.22258667e+00 -3.13897279e+00 1.01782958e+01 24 3.40810261e+00 -1.46821293e+00 1.20797847e+01 25 -1.21323770e+01 -9.14749057e+00 9.27491834e+00 26 -1.93075572e+00 2.79868783e+01 -1.13703842e+01 27 1.30658332e+01 -3.87229787e+01 1.87694653e+01 28 -3.49767503e+01 2.68640005e+01 8.55135962e+00 29 -8.45710217e+00 -1.66928559e+01 1.09651819e+00 30 2.20476099e+01 1.98376361e+01 9.07769259e+00 31 1.93074668e+01 -7.78937449e+00 1.50672722e+01 32 7.97752118e+00 2.02377419e+01 2.37867513e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 168.1836715349846 Forces: 1 -8.74290533e+00 -9.10370322e+00 -1.25921013e+01 2 -1.25079440e+01 1.52207398e+01 -2.05500574e+01 3 2.49583650e+00 -1.72585785e+01 -1.43743666e+00 4 -1.20946738e+01 7.10591485e+00 5.53366060e+00 5 1.53395774e+01 -1.96156702e+01 -2.95525014e+00 6 8.47724941e+00 -1.15924384e+00 -1.02032788e+01 7 7.34302852e+00 -3.44960204e+01 -3.12951467e+01 8 -1.07648947e+01 5.10526265e-01 -8.09472938e-01 9 -2.35232852e+01 -1.67224235e+01 -2.88843197e+01 10 6.71367763e+00 3.61678567e+01 -2.94719629e+01 11 -5.40189446e-01 -3.37788476e+01 1.09180754e+01 12 -2.50384668e+01 2.34186173e+01 7.06058756e+00 13 -2.81935922e+00 -1.42961563e+01 -4.74718983e+01 14 1.83271275e+01 1.61627427e+01 -1.87985377e+01 15 3.07846888e+01 -6.39237404e+00 1.25138901e+01 16 -5.93784225e+00 3.05299567e+01 1.95931237e+01 17 -1.91897571e+01 -1.28693245e+01 -7.74285144e+00 18 7.36599388e+00 1.43176781e+01 -8.52797626e+00 19 8.95009786e+00 -1.66732135e+01 1.96696291e+01 20 -1.36428558e+01 1.11064013e+01 1.35244932e+01 21 -1.45810701e+01 -1.91081866e+01 1.13999218e+01 22 2.90538308e+01 2.89669369e+01 2.40152348e+01 23 6.22258667e+00 -3.13897279e+00 1.01782958e+01 24 3.40810261e+00 -1.46821293e+00 1.20797847e+01 25 -1.21323770e+01 -9.14749057e+00 9.27491834e+00 26 -1.93075572e+00 2.79868783e+01 -1.13703842e+01 27 1.30658332e+01 -3.87229787e+01 1.87694653e+01 28 -3.49767503e+01 2.68640005e+01 8.55135962e+00 29 -8.45710217e+00 -1.66928559e+01 1.09651819e+00 30 2.20476099e+01 1.98376361e+01 9.07769259e+00 31 1.93074668e+01 -7.78937449e+00 1.50672722e+01 32 7.97752118e+00 2.02377419e+01 2.37867513e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = N (Configuration in file "config-F-N.xyz") ----------------------------------------------------------------------------------------------------- Energy = 139.62774486914745 Forces: 1 -4.32138365e-01 -4.96559245e+00 6.95819566e-01 2 9.97207846e+00 1.84310746e+01 1.24213814e+00 3 1.16760505e+01 -8.78528321e+00 9.75154225e+00 4 -1.18075917e+01 3.91902166e-01 -1.04260707e+01 5 1.56122720e+01 1.35763638e+01 9.49900482e+00 6 8.70262522e+00 4.16641306e-01 -4.17792749e+00 7 2.25758058e+00 -1.28319493e+01 -8.48171129e+00 8 -3.52693206e+01 -8.38052897e+00 -1.06732378e+01 9 -1.97668786e+01 -8.28981678e+00 -1.46345984e+00 10 2.37481515e+01 -5.53831815e+00 -7.26627634e+00 11 6.05462582e+00 2.77921875e+01 -1.07536289e+01 12 2.56443398e+00 -9.76601328e+00 -6.18371041e+00 13 -1.42395148e+01 1.17675642e+01 -4.85450373e+00 14 8.06505331e+00 2.52131548e+00 -5.72690523e+00 15 1.14017798e+01 -1.33297248e+01 -1.14145661e+01 16 -1.30079466e+01 1.80182482e+01 1.18552488e+01 17 6.28501252e+00 -7.52458597e+00 6.33584485e+00 18 -2.03745825e+01 2.26541936e+01 -1.32580635e+01 19 2.21306848e+00 -8.40080448e+00 -8.39240141e+00 20 -1.12714790e+01 3.31197414e+00 3.65333040e+00 21 -6.81729183e+00 -1.95261345e+01 1.07620649e+01 22 7.17260048e+00 2.94473351e+00 -8.15935631e+00 23 3.52867831e+00 -3.71320327e+00 3.20743922e+00 24 -2.51616698e+00 4.14202552e+00 2.32259481e+00 25 6.67118614e+00 -1.56165094e+01 4.36560033e+01 26 2.18581122e+01 -8.92109338e+00 -1.68643795e+01 27 6.30245025e-01 1.16654436e+01 -8.58224392e+00 28 -1.02453990e+01 1.52441658e+00 -2.95535474e+00 29 -1.06324176e+01 -1.18405433e+01 2.34781539e+01 30 3.67661256e+00 5.86486189e+00 1.66263559e+00 31 9.74802234e-01 3.45767888e+00 2.06977757e+00 32 3.31575836e+00 -1.05052371e+00 9.44219912e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = N (Configuration in file "config-T-N.xyz") ----------------------------------------------------------------------------------------------------- Energy = 139.62774486914745 Forces: 1 -4.32138365e-01 -4.96559245e+00 6.95819566e-01 2 9.97207846e+00 1.84310746e+01 1.24213814e+00 3 1.16760505e+01 -8.78528321e+00 9.75154225e+00 4 -1.18075917e+01 3.91902166e-01 -1.04260707e+01 5 1.56122720e+01 1.35763638e+01 9.49900482e+00 6 8.70262522e+00 4.16641306e-01 -4.17792749e+00 7 2.25758058e+00 -1.28319493e+01 -8.48171129e+00 8 -3.52693206e+01 -8.38052897e+00 -1.06732378e+01 9 -1.97668786e+01 -8.28981678e+00 -1.46345984e+00 10 2.37481515e+01 -5.53831815e+00 -7.26627634e+00 11 6.05462582e+00 2.77921875e+01 -1.07536289e+01 12 2.56443398e+00 -9.76601328e+00 -6.18371041e+00 13 -1.42395148e+01 1.17675642e+01 -4.85450373e+00 14 8.06505331e+00 2.52131548e+00 -5.72690523e+00 15 1.14017798e+01 -1.33297248e+01 -1.14145661e+01 16 -1.30079466e+01 1.80182482e+01 1.18552488e+01 17 6.28501252e+00 -7.52458597e+00 6.33584485e+00 18 -2.03745825e+01 2.26541936e+01 -1.32580635e+01 19 2.21306848e+00 -8.40080448e+00 -8.39240141e+00 20 -1.12714790e+01 3.31197414e+00 3.65333040e+00 21 -6.81729183e+00 -1.95261345e+01 1.07620649e+01 22 7.17260048e+00 2.94473351e+00 -8.15935631e+00 23 3.52867831e+00 -3.71320327e+00 3.20743922e+00 24 -2.51616698e+00 4.14202552e+00 2.32259481e+00 25 6.67118614e+00 -1.56165094e+01 4.36560033e+01 26 2.18581122e+01 -8.92109338e+00 -1.68643795e+01 27 6.30245025e-01 1.16654436e+01 -8.58224392e+00 28 -1.02453990e+01 1.52441658e+00 -2.95535474e+00 29 -1.06324176e+01 -1.18405433e+01 2.34781539e+01 30 3.67661256e+00 5.86486189e+00 1.66263559e+00 31 9.74802234e-01 3.45767888e+00 2.06977757e+00 32 3.31575836e+00 -1.05052371e+00 9.44219912e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 353.0226332578649 Forces: 1 -6.38060169e+00 -1.26085646e+01 -9.09572840e+00 2 -7.56188454e+00 -2.81797036e+01 -3.10547017e+01 3 -1.40127669e+01 -2.23202483e+01 -1.06421360e+01 4 -1.77969242e+01 -1.23180925e+01 8.11593918e-01 5 -6.69408512e+00 -1.26523960e+01 -1.55938885e+01 6 2.43980921e+01 -1.01203473e+01 -1.90731839e+01 7 4.75172984e+01 -4.72124549e+01 -1.30227470e+01 8 -3.03146236e+01 2.74108552e+01 -1.94839743e+01 9 -3.88564010e+01 -2.52085781e+01 -2.65980282e+01 10 1.99364520e+01 5.13605161e+01 -3.30067699e+01 11 -3.14963007e+01 -1.08612716e+01 4.00189958e+01 12 -4.37655340e+01 3.89102855e+01 -2.16894995e+01 13 3.71777367e+00 6.28248193e+00 -6.19437415e+01 14 1.53637564e+01 1.72908813e+01 -9.51096137e+00 15 5.24600990e+01 -2.70652350e+01 -3.20532500e+01 16 1.01420050e+01 5.10192625e+01 -2.77984526e+00 17 -2.03383708e+01 -3.72229585e+01 -2.09526284e+01 18 3.29121725e+01 -2.23020183e+01 -1.56984981e+01 19 6.14110083e+00 -8.30931592e+00 1.40263471e+01 20 -2.36314328e+01 1.88247099e+01 4.35709527e+01 21 -4.53223643e+01 -6.84761311e+01 -1.26146659e-01 22 9.02641488e+01 1.36731088e+01 -1.90750877e+01 23 3.95851352e+01 -4.29620118e+01 3.33024920e+01 24 -6.88679535e+01 8.24469568e+00 7.05671531e+01 25 -6.99001645e+01 -1.90200346e+01 -1.39221289e+01 26 6.54516142e+01 4.51960119e+01 -1.65407067e+01 27 4.65777400e+01 -6.30604720e+01 6.14159862e+01 28 -7.31459519e+01 6.16972245e+01 4.60588574e+01 29 -8.18724483e+01 -1.22023772e+01 -3.84625695e+01 30 4.58827509e+01 7.60584640e+01 1.85291233e+01 31 9.13414059e+01 2.34422138e+01 6.55222366e+01 32 -1.17337368e+01 4.26915002e+01 3.65024833e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 353.0226332578649 Forces: 1 -6.38060169e+00 -1.26085646e+01 -9.09572840e+00 2 -7.56188454e+00 -2.81797036e+01 -3.10547017e+01 3 -1.40127669e+01 -2.23202483e+01 -1.06421360e+01 4 -1.77969242e+01 -1.23180925e+01 8.11593918e-01 5 -6.69408512e+00 -1.26523960e+01 -1.55938885e+01 6 2.43980921e+01 -1.01203473e+01 -1.90731839e+01 7 4.75172984e+01 -4.72124549e+01 -1.30227470e+01 8 -3.03146236e+01 2.74108552e+01 -1.94839743e+01 9 -3.88564010e+01 -2.52085781e+01 -2.65980282e+01 10 1.99364520e+01 5.13605161e+01 -3.30067699e+01 11 -3.14963007e+01 -1.08612716e+01 4.00189958e+01 12 -4.37655340e+01 3.89102855e+01 -2.16894995e+01 13 3.71777367e+00 6.28248193e+00 -6.19437415e+01 14 1.53637564e+01 1.72908813e+01 -9.51096137e+00 15 5.24600990e+01 -2.70652350e+01 -3.20532500e+01 16 1.01420050e+01 5.10192625e+01 -2.77984526e+00 17 -2.03383708e+01 -3.72229585e+01 -2.09526284e+01 18 3.29121725e+01 -2.23020183e+01 -1.56984981e+01 19 6.14110083e+00 -8.30931592e+00 1.40263471e+01 20 -2.36314328e+01 1.88247099e+01 4.35709527e+01 21 -4.53223643e+01 -6.84761311e+01 -1.26146659e-01 22 9.02641488e+01 1.36731088e+01 -1.90750877e+01 23 3.95851352e+01 -4.29620118e+01 3.33024920e+01 24 -6.88679535e+01 8.24469568e+00 7.05671531e+01 25 -6.99001645e+01 -1.90200346e+01 -1.39221289e+01 26 6.54516142e+01 4.51960119e+01 -1.65407067e+01 27 4.65777400e+01 -6.30604720e+01 6.14159862e+01 28 -7.31459519e+01 6.16972245e+01 4.60588574e+01 29 -8.18724483e+01 -1.22023772e+01 -3.84625695e+01 30 4.58827509e+01 7.60584640e+01 1.85291233e+01 31 9.13414059e+01 2.34422138e+01 6.55222366e+01 32 -1.17337368e+01 4.26915002e+01 3.65024833e+01 MIXED STRUCTURE (pbc=False)-- Species = Al N Ti (Configuration in file "config-F-AlNTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 41.96072393823767 Forces: 1 -3.43481888e+00 -8.02484568e+00 3.81447028e+00 2 -6.95276536e+00 1.15168965e+01 -2.53169501e+01 3 9.43744414e+00 -2.29731193e+01 5.13562044e+00 4 -1.62662089e+01 1.07569850e+01 4.43812068e+00 5 1.20002151e+01 -3.45263361e+01 -2.35217153e+01 6 -7.21006105e+00 8.46808333e+00 -8.93187812e+00 7 6.37378368e+00 -1.27198595e+01 -9.55574072e+00 8 -5.99562480e+00 1.45881598e+01 4.31190956e+00 9 -1.49647653e+00 7.17612789e+00 -6.17685056e+00 10 -3.81087299e+00 1.07184471e+01 -1.28144359e+01 11 -6.25826237e+00 -2.35288670e+01 -3.28414630e+00 12 -2.72872003e+01 7.89784836e+00 -1.65519849e+01 13 -1.02565543e+01 -1.54697966e+01 -3.63075184e+01 14 2.07085259e+01 2.36443560e+01 -1.24263503e+01 15 2.87529956e+01 2.85184251e+01 1.18434158e+00 16 -6.29622812e+00 8.65943124e+00 1.33077832e+01 17 -1.14826184e+01 -1.24595744e+01 -8.66428702e+00 18 1.17640739e+01 6.18629757e+00 -2.66380705e+01 19 7.83659622e+00 -1.71863645e+01 1.39828808e+01 20 -2.97671544e+01 1.14997216e+01 2.52068564e+01 21 -1.89817708e+01 -2.56388500e+01 2.02947224e+01 22 3.66513137e+01 -1.93565911e+01 1.65570043e+01 23 4.00170294e+00 -1.79770779e+00 8.30209128e+00 24 5.19042038e+00 -4.21210429e+00 1.16671489e+00 25 -1.55465535e+01 -5.81642484e+00 -2.16094916e+00 26 2.37182520e+01 2.33366938e+01 1.07086973e+01 27 1.88255471e+00 2.32107742e+00 1.18172051e+01 28 -1.87256397e+00 2.27718347e-01 9.59294068e+00 29 -1.48639141e+01 6.32668882e+00 1.19017330e+01 30 1.28559322e+01 1.02616756e+01 -5.18726103e+00 31 1.06342072e+01 -9.42971701e-01 1.88160805e+01 32 -4.02836917e+00 1.25487793e+01 1.69989660e+01 MIXED STRUCTURE (pbc=True)-- Species = Al N Ti (Configuration in file "config-T-AlNTi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 110.43325870364082 Forces: 1 3.49534122e+00 -1.12372728e+01 3.29893418e+00 2 -3.44994611e+00 1.46246179e+01 -1.07157356e+01 3 7.38565077e+00 -6.28828052e+00 1.74123105e+01 4 -2.06040548e+01 7.43830812e+00 -6.90471350e+00 5 1.43390314e+01 -1.67486330e+01 -2.51574258e+01 6 -1.88403236e+01 6.96782221e+00 5.29663455e+00 7 5.59365226e+00 -1.51185066e+00 3.69826140e+00 8 -6.42220286e+00 4.86723139e+00 3.45000817e+00 9 5.98020033e+00 1.70371734e+01 1.74460542e+00 10 -9.76497916e+00 -4.76640097e-01 -6.65869877e+00 11 -6.73626175e+00 -2.50108494e+01 -2.64093368e+00 12 -1.86643516e+01 -2.32244087e+01 -4.22377175e+01 13 -1.29569215e+01 -1.03780220e+01 -1.88858796e+01 14 2.17033729e+01 1.97748213e+01 -1.33989982e+01 15 2.88047834e+01 2.36014243e+01 -5.82295860e+00 16 -6.52574852e+00 -1.01438162e+01 1.56135026e+01 17 -2.46629111e+01 5.75309111e+01 8.67665168e+00 18 1.19669668e+01 7.83719643e+00 -2.57463331e+01 19 -6.46537831e+00 -1.57214495e+00 4.31785265e+00 20 -1.89440217e+01 8.58720099e-01 1.51070575e+01 21 -2.29888067e+01 -9.24967661e+00 1.65871045e+01 22 2.55039461e+01 -7.97510233e+00 1.13514003e+01 23 9.38309243e+00 6.20622185e+00 1.03327658e+01 24 4.94240462e+00 -5.10572640e+00 -4.42398558e+00 25 -1.45895460e+01 -1.13478800e+01 -7.76700776e-01 26 5.60901866e+01 -2.22026895e+01 6.87043973e+00 27 5.78357234e+00 3.07715356e+00 3.57564270e+00 28 -3.93284782e+00 1.85186792e+00 1.22641458e+01 29 -1.53266913e+01 6.24860509e+00 1.02022448e+01 30 8.06758633e-01 -5.19466903e+00 -3.06711085e+00 31 5.25935511e+00 1.47042335e+00 8.58474712e+00 32 3.83667788e+00 -1.17248358e+01 8.05288225e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==133676== Memcheck, a memory error detector ==133676== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==133676== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==133676== Command: python runner2.py MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_001 ==133676== ==134141== Warning: invalid file descriptor 255988 in syscall close() ==134141== Warning: invalid file descriptor 255989 in syscall close() ==134141== Warning: invalid file descriptor 255990 in syscall close() ==134141== Warning: invalid file descriptor 255991 in syscall close() ==134141== Use --log-fd= to select an alternative log fd. ==134141== Warning: invalid file descriptor 255992 in syscall close() ==134141== Warning: invalid file descriptor 255993 in syscall close() ==133676== Mismatched free() / delete / delete [] ==133676== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==133676== by 0x119B8A39C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== by 0x119A5D54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== 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-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== 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-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== by 0x119A4B5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== by 0x40468F1E: 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) ==133676== by 0x40469E18: 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) ==133676== by 0x4046E762: 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) ==133676== by 0x4041E246: 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) ==133676== by 0x403814C7: 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) ==133676== by 0x403952E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==133676== Address 0x2dcd60e0 is 0 bytes inside a block of size 1,024 alloc'd ==133676== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==133676== by 0x119B89B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== by 0x119A5D54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== 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-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== 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-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== by 0x119A4B5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== by 0x40468F1E: 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) ==133676== by 0x40469E18: 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) ==133676== by 0x4046E762: 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) ==133676== by 0x4041E246: 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) ==133676== by 0x403814C7: 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) ==133676== by 0x403952E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==133676== ==133676== Mismatched free() / delete / delete [] ==133676== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==133676== by 0x119B84DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== by 0x119A5D578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== 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-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== 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-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== by 0x119A4B5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== by 0x40468F1E: 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) ==133676== by 0x40469E18: 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) ==133676== by 0x4046E762: 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) ==133676== by 0x4041E246: 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) ==133676== by 0x403814C7: 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) ==133676== by 0x403952E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==133676== Address 0x2dcd78f0 is 0 bytes inside a block of size 1,024 alloc'd ==133676== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==133676== by 0x119B84BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== by 0x119A5D578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== 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-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== 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-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== by 0x119A4B5CE: ModelDriverCreateRoutine (in /work/07753/dskarls/stampede2/jobs/dskarls/job-b3ec77a9-638b-433a-812c-6162d8999d95-007-1d178d27-77e9-43a4-bad9-ce75026e35c4/VC_561022993723_003-and-MO_958395190627_001-1639940848/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==133676== by 0x40468F1E: 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) ==133676== by 0x40469E18: 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) ==133676== by 0x4046E762: 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) ==133676== by 0x4041E246: 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) ==133676== by 0x403814C7: 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) ==133676== by 0x403952E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==133676== ==133676== ==133676== HEAP SUMMARY: ==133676== in use at exit: 2,203,207 bytes in 1,644 blocks ==133676== total heap usage: 118,757 allocs, 117,113 frees, 142,860,441 bytes allocated ==133676== ==133676== LEAK SUMMARY: ==133676== definitely lost: 0 bytes in 0 blocks ==133676== indirectly lost: 0 bytes in 0 blocks ==133676== possibly lost: 198,622 bytes in 101 blocks ==133676== still reachable: 2,004,553 bytes in 1,542 blocks ==133676== suppressed: 32 bytes in 1 blocks ==133676== Rerun with --leak-check=full to see details of leaked memory ==133676== ==133676== For lists of detected and suppressed errors, rerun with: -s ==133676== ERROR SUMMARY: 26 errors from 2 contexts (suppressed: 9342 from 538) ================================================================================ 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.