Enter a model name: === Verification check vc-memory-leak start (2022-11-30 10:16:42) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KoLee_2013_VPdY__MO_046547823135_001 Supported species : Pd V Y random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pd (Configuration in file "config-F-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 280.28801293858066 Forces: 1 -4.95394045e+00 -2.31106448e+01 -2.23681393e+01 2 -2.52507171e+01 1.73274771e+01 -2.36137670e+01 3 1.30271781e+01 -4.32172862e+01 -1.90192829e+01 4 -2.91269607e+01 1.88352745e+01 1.12549887e+01 5 2.07522131e+00 -4.64610760e+01 -9.17953914e+00 6 2.09003603e+01 1.68538388e+01 -2.32246719e+01 7 7.34163049e+00 -8.30581954e+01 -6.71704181e+01 8 -1.53955795e+01 -4.21024242e+01 2.29598862e+00 9 -3.30775586e+01 -1.87408265e+01 -4.16882006e+01 10 -8.59092226e+00 8.61909861e+01 -5.38648093e+01 11 -4.50166136e+01 -6.44576544e+01 4.84824062e+01 12 -4.12649134e+01 5.70806318e+01 -3.41917139e+00 13 5.55691298e+01 -1.82531340e+01 -7.70282801e+01 14 1.26272374e+01 1.85509299e+01 -1.07970693e+01 15 8.08482079e+01 -7.66555995e+00 -9.57763097e+00 16 2.13754409e+01 8.12567492e+01 -2.51586860e+01 17 -3.96758126e+01 -2.10626177e+01 -1.20944670e+01 18 9.35135317e+00 3.05205975e+01 1.46280461e+01 19 1.82532653e+01 -2.59569368e+01 2.23285719e+01 20 -1.49118113e+01 2.12286077e+01 1.98499219e+01 21 -3.80114223e+01 -2.87736104e+01 1.81157951e+01 22 6.14135090e+01 7.93673336e+01 6.20755830e+01 23 1.10690219e+01 -4.94465001e+00 1.73800596e+01 24 8.22751017e+00 5.30195305e-01 1.36581100e+01 25 -1.61327829e+01 -2.56995747e+01 2.74568847e+01 26 -6.84716778e+01 6.26258848e+01 -3.66320059e+00 27 4.96661609e+01 -1.12039379e+02 2.49008154e+01 28 -8.87678163e+01 8.60150434e+01 9.37778552e+00 29 -6.77240299e+00 -7.75161736e+01 1.64739355e+01 30 3.97870156e+01 3.95600463e+01 1.01079982e+01 31 3.37196005e+01 -2.29605494e+01 2.83240296e+01 32 3.01690891e+01 5.00766972e+01 5.51564133e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pd (Configuration in file "config-T-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 280.28801293858066 Forces: 1 -4.95394045e+00 -2.31106448e+01 -2.23681393e+01 2 -2.52507171e+01 1.73274771e+01 -2.36137670e+01 3 1.30271781e+01 -4.32172862e+01 -1.90192829e+01 4 -2.91269607e+01 1.88352745e+01 1.12549887e+01 5 2.07522131e+00 -4.64610760e+01 -9.17953914e+00 6 2.09003603e+01 1.68538388e+01 -2.32246719e+01 7 7.34163049e+00 -8.30581954e+01 -6.71704181e+01 8 -1.53955795e+01 -4.21024242e+01 2.29598862e+00 9 -3.30775586e+01 -1.87408265e+01 -4.16882006e+01 10 -8.59092226e+00 8.61909861e+01 -5.38648093e+01 11 -4.50166136e+01 -6.44576544e+01 4.84824062e+01 12 -4.12649134e+01 5.70806318e+01 -3.41917139e+00 13 5.55691298e+01 -1.82531340e+01 -7.70282801e+01 14 1.26272374e+01 1.85509299e+01 -1.07970693e+01 15 8.08482079e+01 -7.66555995e+00 -9.57763097e+00 16 2.13754409e+01 8.12567492e+01 -2.51586860e+01 17 -3.96758126e+01 -2.10626177e+01 -1.20944670e+01 18 9.35135317e+00 3.05205975e+01 1.46280461e+01 19 1.82532653e+01 -2.59569368e+01 2.23285719e+01 20 -1.49118113e+01 2.12286077e+01 1.98499219e+01 21 -3.80114223e+01 -2.87736104e+01 1.81157951e+01 22 6.14135090e+01 7.93673336e+01 6.20755830e+01 23 1.10690219e+01 -4.94465001e+00 1.73800596e+01 24 8.22751017e+00 5.30195305e-01 1.36581100e+01 25 -1.61327829e+01 -2.56995747e+01 2.74568847e+01 26 -6.84716778e+01 6.26258848e+01 -3.66320059e+00 27 4.96661609e+01 -1.12039379e+02 2.49008154e+01 28 -8.87678163e+01 8.60150434e+01 9.37778552e+00 29 -6.77240299e+00 -7.75161736e+01 1.64739355e+01 30 3.97870156e+01 3.95600463e+01 1.01079982e+01 31 3.37196005e+01 -2.29605494e+01 2.83240296e+01 32 3.01690891e+01 5.00766972e+01 5.51564133e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = V (Configuration in file "config-F-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = -60.71862683760124 Forces: 1 -2.35174071e+00 -2.23113753e+00 -3.03151600e+00 2 -6.68819959e+00 -3.92877741e+00 -1.32046875e+01 3 2.56893758e+00 -1.47496423e+01 -4.46256290e+00 4 -1.38296515e+01 6.87283649e+00 -5.10865325e+00 5 5.56764742e-01 -3.98111462e+00 -4.72058727e+00 6 9.08843473e+00 -4.26735999e+00 -8.98208234e+00 7 6.92446939e+00 -4.96365457e+00 -2.10985660e+00 8 2.13659981e+00 -5.94449888e+00 9.82170885e-01 9 -1.90323773e+00 4.40437624e-01 -2.48460428e+00 10 -1.75523679e+00 2.96299844e+00 -3.85452040e+00 11 -8.08814409e+00 6.17708799e+00 1.17455690e+00 12 -3.17428662e+00 2.81860656e+00 -6.28285185e-01 13 -2.14000799e+00 3.01447157e+00 -1.49631066e+01 14 1.78100453e+00 3.21916713e+00 -2.54261686e+00 15 1.66717545e+01 4.53684817e+00 7.40941715e+00 16 7.81614095e-01 1.18780795e+01 -5.18582661e+00 17 -7.27470221e+00 -1.00625652e+01 3.99931628e+00 18 2.41564732e+00 3.99886378e+00 2.89690504e+00 19 1.06504493e+00 -6.29115180e+00 7.93748147e+00 20 -5.71313119e+00 9.09334920e-01 4.61725390e+00 21 5.63766070e-01 -8.34876278e+00 4.68551176e+00 22 6.79764253e+00 1.76398169e+00 3.04370684e+00 23 1.97706922e+00 -2.67913498e+00 1.55893180e+00 24 2.13754987e+00 8.16568600e-01 6.17278828e+00 25 -4.20948713e+00 2.27303268e+00 5.22909472e-01 26 -6.19033510e+00 7.89211053e+00 5.32353489e+00 27 -1.29109530e+00 3.02136780e+00 4.73566700e+00 28 -7.90839339e-01 9.36978212e-01 7.50493802e-01 29 1.91265215e+00 -2.54862837e+00 9.05360672e+00 30 6.11941269e+00 4.28995711e+00 1.99045125e+00 31 2.48355889e+00 -6.74285623e-01 1.38018443e+00 32 -5.81827705e-01 2.84798522e+00 3.04401785e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = V (Configuration in file "config-T-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = -60.71862683760124 Forces: 1 -2.35174071e+00 -2.23113753e+00 -3.03151600e+00 2 -6.68819959e+00 -3.92877741e+00 -1.32046875e+01 3 2.56893758e+00 -1.47496423e+01 -4.46256290e+00 4 -1.38296515e+01 6.87283649e+00 -5.10865325e+00 5 5.56764742e-01 -3.98111462e+00 -4.72058727e+00 6 9.08843473e+00 -4.26735999e+00 -8.98208234e+00 7 6.92446939e+00 -4.96365457e+00 -2.10985660e+00 8 2.13659981e+00 -5.94449888e+00 9.82170885e-01 9 -1.90323773e+00 4.40437624e-01 -2.48460428e+00 10 -1.75523679e+00 2.96299844e+00 -3.85452040e+00 11 -8.08814409e+00 6.17708799e+00 1.17455690e+00 12 -3.17428662e+00 2.81860656e+00 -6.28285185e-01 13 -2.14000799e+00 3.01447157e+00 -1.49631066e+01 14 1.78100453e+00 3.21916713e+00 -2.54261686e+00 15 1.66717545e+01 4.53684817e+00 7.40941715e+00 16 7.81614095e-01 1.18780795e+01 -5.18582661e+00 17 -7.27470221e+00 -1.00625652e+01 3.99931628e+00 18 2.41564732e+00 3.99886378e+00 2.89690504e+00 19 1.06504493e+00 -6.29115180e+00 7.93748147e+00 20 -5.71313119e+00 9.09334920e-01 4.61725390e+00 21 5.63766070e-01 -8.34876278e+00 4.68551176e+00 22 6.79764253e+00 1.76398169e+00 3.04370684e+00 23 1.97706922e+00 -2.67913498e+00 1.55893180e+00 24 2.13754987e+00 8.16568600e-01 6.17278828e+00 25 -4.20948713e+00 2.27303268e+00 5.22909472e-01 26 -6.19033510e+00 7.89211053e+00 5.32353489e+00 27 -1.29109530e+00 3.02136780e+00 4.73566700e+00 28 -7.90839339e-01 9.36978212e-01 7.50493802e-01 29 1.91265215e+00 -2.54862837e+00 9.05360672e+00 30 6.11941269e+00 4.28995711e+00 1.99045125e+00 31 2.48355889e+00 -6.74285623e-01 1.38018443e+00 32 -5.81827705e-01 2.84798522e+00 3.04401785e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Y (Configuration in file "config-F-Y.xyz") ----------------------------------------------------------------------------------------------------- Energy = 318.2566677554258 Forces: 1 -1.24637071e+01 -4.29490040e+00 -6.84123740e+00 2 -3.43271331e+00 -6.33685509e+00 -1.84425961e+01 3 -5.12348943e+00 -2.56784623e+01 -3.89520188e+00 4 -2.44054060e+01 -6.24214773e+00 -1.66225159e+00 5 1.30865785e+01 -1.99372213e+01 -2.04152098e+01 6 2.03017966e+01 -7.59957325e+00 -7.62375945e+00 7 1.17327018e+01 -1.07463368e+01 -5.68091913e+00 8 -3.20596623e+00 1.70758954e+00 4.73663268e+00 9 -1.69820141e+01 6.21189583e-01 -1.34700790e+01 10 -2.54390773e+00 1.66346840e+01 -1.86588443e+01 11 -4.71753744e+00 -1.26882224e+00 7.87654336e-01 12 -1.49167948e+01 1.83629516e+01 -2.76907518e+00 13 4.02329984e-02 1.31326544e+00 -2.12311893e+01 14 1.20051583e+01 9.99052857e+00 -1.04297328e+01 15 1.50615274e+01 5.65031494e-02 -1.33536581e+01 16 2.81174317e+00 2.34658692e+01 -8.05741944e+00 17 -1.66789148e+01 -8.99072876e+00 3.75147677e+00 18 3.64356825e+00 1.81440816e+01 2.39546734e+00 19 -7.67160534e+00 -2.88463704e+01 1.16596529e+01 20 -2.13857402e+01 1.22843839e+00 1.24432519e+01 21 7.31337860e+00 -3.62539796e+01 -8.96342091e+00 22 3.27418885e+01 -3.10921219e+00 8.96968972e+00 23 1.35917856e+01 -9.51129090e+00 7.17422330e+00 24 3.62433623e+00 -7.52246582e-01 4.04308448e+01 25 -1.85133801e+01 6.30577944e+00 6.92407492e+00 26 -4.87094716e+00 2.01530383e+01 4.55120277e+00 27 -1.25470584e+01 4.62200847e+00 1.24883789e+01 28 -1.01665211e+01 1.12932460e+01 8.92716931e+00 29 4.62666605e+00 -1.19221688e+00 1.20579286e+00 30 1.29839000e+01 1.69215738e+01 6.19035449e+00 31 2.04408442e+01 8.37855115e+00 1.96958952e+01 32 5.61959696e+00 1.15610663e+01 9.16283210e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Y (Configuration in file "config-T-Y.xyz") ----------------------------------------------------------------------------------------------------- Energy = 318.2566677554258 Forces: 1 -1.24637071e+01 -4.29490040e+00 -6.84123740e+00 2 -3.43271331e+00 -6.33685509e+00 -1.84425961e+01 3 -5.12348943e+00 -2.56784623e+01 -3.89520188e+00 4 -2.44054060e+01 -6.24214773e+00 -1.66225159e+00 5 1.30865785e+01 -1.99372213e+01 -2.04152098e+01 6 2.03017966e+01 -7.59957325e+00 -7.62375945e+00 7 1.17327018e+01 -1.07463368e+01 -5.68091913e+00 8 -3.20596623e+00 1.70758954e+00 4.73663268e+00 9 -1.69820141e+01 6.21189583e-01 -1.34700790e+01 10 -2.54390773e+00 1.66346840e+01 -1.86588443e+01 11 -4.71753744e+00 -1.26882224e+00 7.87654336e-01 12 -1.49167948e+01 1.83629516e+01 -2.76907518e+00 13 4.02329984e-02 1.31326544e+00 -2.12311893e+01 14 1.20051583e+01 9.99052857e+00 -1.04297328e+01 15 1.50615274e+01 5.65031494e-02 -1.33536581e+01 16 2.81174317e+00 2.34658692e+01 -8.05741944e+00 17 -1.66789148e+01 -8.99072876e+00 3.75147677e+00 18 3.64356825e+00 1.81440816e+01 2.39546734e+00 19 -7.67160534e+00 -2.88463704e+01 1.16596529e+01 20 -2.13857402e+01 1.22843839e+00 1.24432519e+01 21 7.31337860e+00 -3.62539796e+01 -8.96342091e+00 22 3.27418885e+01 -3.10921219e+00 8.96968972e+00 23 1.35917856e+01 -9.51129090e+00 7.17422330e+00 24 3.62433623e+00 -7.52246582e-01 4.04308448e+01 25 -1.85133801e+01 6.30577944e+00 6.92407492e+00 26 -4.87094716e+00 2.01530383e+01 4.55120277e+00 27 -1.25470584e+01 4.62200847e+00 1.24883789e+01 28 -1.01665211e+01 1.12932460e+01 8.92716931e+00 29 4.62666605e+00 -1.19221688e+00 1.20579286e+00 30 1.29839000e+01 1.69215738e+01 6.19035449e+00 31 2.04408442e+01 8.37855115e+00 1.96958952e+01 32 5.61959696e+00 1.15610663e+01 9.16283210e+00 MIXED STRUCTURE (pbc=False)-- Species = Pd V Y (Configuration in file "config-F-PdVY.xyz") ----------------------------------------------------------------------------------------------------- Energy = 261.93300065956504 Forces: 1 -1.26362541e+01 -2.20126258e+01 -1.65252588e+01 2 1.12343566e+01 -7.46838848e+00 -1.92003486e+01 3 3.62245398e+00 -3.66515811e+01 -2.87104815e+01 4 -2.53581279e+01 1.19976226e+00 6.63607681e+00 5 -8.41061957e+00 -2.70221577e+01 -1.67128448e+01 6 6.23301382e+01 -1.06034506e+01 -5.84750241e+01 7 1.82512570e+01 -1.90206263e+01 6.44063909e+00 8 -2.41273861e+01 8.39541172e+00 3.73773573e+01 9 -3.07021862e+01 5.70800737e+00 -2.33506147e+01 10 2.69235409e+01 2.86667351e+01 -2.65100424e+01 11 -4.83498816e+00 -9.78136736e+00 1.61875814e+00 12 -3.99321165e+01 2.45531946e+01 -1.29544716e+01 13 -2.11696462e+01 2.02258581e+01 -1.35335913e+01 14 3.40823263e+01 1.49098849e+01 -2.62138711e+01 15 1.41163457e+01 2.01080702e+01 -7.35057942e+00 16 -1.93207498e+01 1.48562918e+01 1.68690884e+01 17 -4.75895215e+01 -5.13172318e+01 -1.32060775e+01 18 1.10504327e+01 3.36818873e+01 2.39855196e+01 19 2.14221786e+00 -1.57765551e+01 1.91797656e+01 20 -2.75679490e+01 -1.43394234e+01 3.04134502e+01 21 9.98340842e+00 -4.50880050e+01 -1.83292543e+01 22 2.46728766e+01 1.20930772e+01 -1.51316219e+01 23 2.00268868e+01 -3.00877904e+01 4.28868197e+01 24 -1.13244475e+01 4.15680416e+00 3.95739709e+01 25 -2.18170223e+01 9.91730597e+00 1.77600711e+00 26 2.99583665e+01 2.69505548e+01 -1.68968671e+01 27 7.52716739e+00 1.24999024e+01 2.48992628e+01 28 -3.20619211e+01 1.14558710e+01 4.34962822e+01 29 1.75819069e+01 6.03211857e+00 -9.32183620e+00 30 1.11065388e+01 1.34818989e+01 -5.87679039e+00 31 2.08270353e+01 -3.80066937e+00 1.16120228e+01 32 1.41568011e+00 2.40772360e+01 2.15345551e+01 MIXED STRUCTURE (pbc=True)-- Species = Pd V Y (Configuration in file "config-T-PdVY.xyz") ----------------------------------------------------------------------------------------------------- Energy = 409.2229057704549 Forces: 1 -3.93661863e-03 -1.26016300e+01 -1.75782044e+01 2 1.22549360e+01 -8.50997036e+00 -1.08121932e+00 3 1.10999939e+01 -2.23553636e+01 -2.77625613e+01 4 2.77490956e+00 4.16992697e-02 1.91712847e+00 5 -1.52352707e+01 -1.28454103e+01 -1.00522296e+01 6 6.42410250e+01 -1.69706844e+01 -2.36978166e+01 7 -3.06106778e+00 -4.25434634e+00 4.21016764e+00 8 -2.25424111e+01 9.81977955e+00 3.83313429e+01 9 -1.38071446e+01 1.82895736e+00 -1.20734131e+01 10 2.89316762e+01 2.49734754e+01 2.98264954e-01 11 -1.41097708e+00 -7.91449160e+00 3.80851716e+00 12 -1.80952157e+01 1.87453853e+00 -1.81322017e+01 13 -2.93999806e+01 1.40985141e+01 8.77805147e+00 14 2.30188985e+01 2.18849322e+01 -1.17266935e+01 15 -2.20944781e+01 1.38309118e+01 2.87421097e+00 16 -2.29666168e+01 -4.59981321e-01 2.23765851e+01 17 -3.85347535e+01 -3.29045913e+01 -3.22018468e+00 18 6.01141877e+00 3.49815033e+01 1.87346219e+01 19 1.92536204e+01 1.30910561e+01 4.22041350e+00 20 -1.27110763e+01 -2.05364884e+01 1.21511417e+01 21 1.50620301e+01 -1.99233831e+01 -2.74894927e+01 22 3.55773470e+00 1.17309810e+01 -7.21961409e+00 23 1.76420401e+01 -2.31601753e+01 3.88755773e+01 24 -2.88457328e+01 6.37337980e+00 -7.74775043e-01 25 -4.84118174e+00 1.03488767e+01 1.89090786e+00 26 2.04229124e+01 1.40513845e+01 -1.01841950e+00 27 6.27878253e+00 1.21375521e+01 6.02587521e+00 28 -4.13041218e+01 -6.37568986e+00 1.26999883e+01 29 2.30890859e+01 6.79563496e+00 -9.06294038e+00 30 -4.37976099e+00 2.77448237e+00 -1.15620957e+00 31 1.73933470e+01 -1.15377362e+01 -2.74396492e+01 32 8.20131502e+00 -2.87716718e-01 2.22928302e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1812649== Memcheck, a memory error detector ==1812649== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1812649== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1812649== Command: python runner2.py MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_001 ==1812649== ==1813931== Warning: invalid file descriptor 1024 in syscall close() ==1813931== Warning: invalid file descriptor 1025 in syscall close() ==1813931== Warning: invalid file descriptor 1026 in syscall close() ==1813931== Warning: invalid file descriptor 1027 in syscall close() ==1813931== Use --log-fd= to select an alternative log fd. ==1813931== Warning: invalid file descriptor 1028 in syscall close() ==1813931== Warning: invalid file descriptor 1029 in syscall close() ==1812649== Mismatched free() / delete / delete [] ==1812649== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812649== by 0x12C78838C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12C65B54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12C65CC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12C645DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12C6495CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12BEB5F1E: 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) ==1812649== by 0x12BEB6E18: 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) ==1812649== by 0x12BEBB762: 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) ==1812649== by 0x12BE6B246: 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) ==1812649== by 0x12BDCB6C7: 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) ==1812649== by 0x12BDE117B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812649== Address 0xa8f7d080 is 0 bytes inside a block of size 1,024 alloc'd ==1812649== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812649== by 0x12C787B11: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12C65B54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12C65CC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12C645DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12C6495CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12BEB5F1E: 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) ==1812649== by 0x12BEB6E18: 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) ==1812649== by 0x12BEBB762: 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) ==1812649== by 0x12BE6B246: 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) ==1812649== by 0x12BDCB6C7: 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) ==1812649== by 0x12BDE117B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812649== ==1812649== Mismatched free() / delete / delete [] ==1812649== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812649== by 0x12C782DBD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12C65B578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12C65CC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12C645DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12C6495CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12BEB5F1E: 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) ==1812649== by 0x12BEB6E18: 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) ==1812649== by 0x12BEBB762: 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) ==1812649== by 0x12BE6B246: 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) ==1812649== by 0x12BDCB6C7: 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) ==1812649== by 0x12BDE117B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812649== Address 0xa8f7e890 is 0 bytes inside a block of size 1,024 alloc'd ==1812649== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1812649== by 0x12C782B9B: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12C65B578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12C65CC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12C645DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12C6495CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-33a0233c-1d8a-4c00-86bd-f2e6311e55c2-007-f556510e-11f0-4732-ba18-dbf2bd531104/VC_561022993723_004-and-MO_046547823135_001-1669765232/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1812649== by 0x12BEB5F1E: 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) ==1812649== by 0x12BEB6E18: 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) ==1812649== by 0x12BEBB762: 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) ==1812649== by 0x12BE6B246: 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) ==1812649== by 0x12BDCB6C7: 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) ==1812649== by 0x12BDE117B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1812649== ==1812649== ==1812649== HEAP SUMMARY: ==1812649== in use at exit: 2,257,767 bytes in 1,704 blocks ==1812649== total heap usage: 115,051 allocs, 113,347 frees, 137,900,310 bytes allocated ==1812649== ==1812649== LEAK SUMMARY: ==1812649== definitely lost: 0 bytes in 0 blocks ==1812649== indirectly lost: 0 bytes in 0 blocks ==1812649== possibly lost: 180,827 bytes in 103 blocks ==1812649== still reachable: 2,076,908 bytes in 1,600 blocks ==1812649== of which reachable via heuristic: ==1812649== stdstring : 38 bytes in 1 blocks ==1812649== suppressed: 32 bytes in 1 blocks ==1812649== Rerun with --leak-check=full to see details of leaked memory ==1812649== ==1812649== For lists of detected and suppressed errors, rerun with: -s ==1812649== ERROR SUMMARY: 26 errors from 2 contexts (suppressed: 8090 from 546) ================================================================================ 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. === Verification check vc-memory-leak end (2022-11-30 10:17:58) ===