!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_GaoOteroAouadi_2013_AgTaO__MO_112077942578_001 Supported species : Ag O Ta random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ag (Configuration in file "config-F-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 321.15708536795154 Forces: 1 -4.77370247e+01 -3.97780749e+01 -9.10813282e+01 2 -3.26469413e+01 3.59758355e+01 -1.83471258e+01 3 7.57614783e+01 -5.10376284e+01 4.53794200e+01 4 -3.71076852e+01 5.98586258e+01 2.53154267e+01 5 1.81715613e+01 -4.73008379e+01 -1.63047055e-01 6 1.37297956e+01 1.21788925e+01 -1.42032007e+01 7 1.22649227e+01 -1.31207819e+02 -1.37307495e+02 8 -3.22502154e+01 -1.10831685e+01 -2.03564083e+01 9 -4.01094749e+01 -9.98921358e+01 -6.22662420e+01 10 5.04019326e+01 1.04252557e+02 -2.75997297e+01 11 1.72193202e+01 -4.29347749e+01 1.08678369e+01 12 -4.80356532e+01 6.96286180e+01 2.22575667e+01 13 -6.13924847e+01 -5.99060344e+01 -1.57240617e+02 14 1.18488195e+01 3.80486806e+01 -4.18531957e+01 15 1.47899667e+02 -8.72172705e+01 5.50601106e+01 16 -5.11813936e+01 1.01213255e+02 3.70685869e+01 17 -7.98567717e+01 -4.14540831e+01 -9.26894626e+01 18 1.17432195e+01 2.59879164e+01 1.82794802e+01 19 6.94102125e+01 -2.75777611e+01 5.88261998e+01 20 -1.22182733e+01 5.14046668e+01 4.54940719e+01 21 -5.54438678e+01 -3.64224099e+01 2.10894462e+01 22 6.59152988e+01 1.11005980e+02 8.24994776e+01 23 2.72004762e+01 -1.19282507e+01 4.06663923e+01 24 -1.06724797e+01 1.37737487e+01 1.66623600e+01 25 -1.88878063e+01 -1.50488196e+01 3.88597779e+01 26 -2.53372941e+01 3.10880200e+01 -2.62469703e+01 27 9.01364054e+01 -1.59344142e+02 1.93202343e+01 28 -1.33461336e+02 1.26261558e+02 9.22866553e+00 29 -1.95723288e+01 -1.67217615e+01 4.45840222e+00 30 2.11795028e+01 5.98203575e+01 6.04798806e+01 31 3.07119586e+01 -6.12595619e+00 2.77829095e+01 32 4.23164608e+01 4.44822169e+01 4.97585771e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ag (Configuration in file "config-T-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 321.15708536795154 Forces: 1 -4.77370247e+01 -3.97780749e+01 -9.10813282e+01 2 -3.26469413e+01 3.59758355e+01 -1.83471258e+01 3 7.57614783e+01 -5.10376284e+01 4.53794200e+01 4 -3.71076852e+01 5.98586258e+01 2.53154267e+01 5 1.81715613e+01 -4.73008379e+01 -1.63047055e-01 6 1.37297956e+01 1.21788925e+01 -1.42032007e+01 7 1.22649227e+01 -1.31207819e+02 -1.37307495e+02 8 -3.22502154e+01 -1.10831685e+01 -2.03564083e+01 9 -4.01094749e+01 -9.98921358e+01 -6.22662420e+01 10 5.04019326e+01 1.04252557e+02 -2.75997297e+01 11 1.72193202e+01 -4.29347749e+01 1.08678369e+01 12 -4.80356532e+01 6.96286180e+01 2.22575667e+01 13 -6.13924847e+01 -5.99060344e+01 -1.57240617e+02 14 1.18488195e+01 3.80486806e+01 -4.18531957e+01 15 1.47899667e+02 -8.72172705e+01 5.50601106e+01 16 -5.11813936e+01 1.01213255e+02 3.70685869e+01 17 -7.98567717e+01 -4.14540831e+01 -9.26894626e+01 18 1.17432195e+01 2.59879164e+01 1.82794802e+01 19 6.94102125e+01 -2.75777611e+01 5.88261998e+01 20 -1.22182733e+01 5.14046668e+01 4.54940719e+01 21 -5.54438678e+01 -3.64224099e+01 2.10894462e+01 22 6.59152988e+01 1.11005980e+02 8.24994776e+01 23 2.72004762e+01 -1.19282507e+01 4.06663923e+01 24 -1.06724797e+01 1.37737487e+01 1.66623600e+01 25 -1.88878063e+01 -1.50488196e+01 3.88597779e+01 26 -2.53372941e+01 3.10880200e+01 -2.62469703e+01 27 9.01364054e+01 -1.59344142e+02 1.93202343e+01 28 -1.33461336e+02 1.26261558e+02 9.22866553e+00 29 -1.95723288e+01 -1.67217615e+01 4.45840222e+00 30 2.11795028e+01 5.98203575e+01 6.04798806e+01 31 3.07119586e+01 -6.12595619e+00 2.77829095e+01 32 4.23164608e+01 4.44822169e+01 4.97585771e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = O (Configuration in file "config-F-O.xyz") ----------------------------------------------------------------------------------------------------- Energy = -28.153984758803634 Forces: 1 5.89348523e-01 5.11033441e-01 1.18649598e+00 2 1.02904040e+00 -2.68157697e+00 -1.91510789e+00 3 -1.23493288e+00 1.38883699e+00 5.62831859e-01 4 -4.66980449e-01 -7.24970630e-01 -2.52659372e+00 5 -1.87317490e+00 2.12116923e+00 9.21319431e-01 6 -4.99017402e-01 -1.08677297e+00 6.90079170e-01 7 -2.65102702e-01 8.80339798e-01 -4.70005817e-01 8 -1.67734279e+00 -1.06438203e+00 1.09456795e+00 9 1.74361969e+00 -8.90981610e-01 1.80955857e+00 10 -5.09764797e-01 -5.16535165e-01 1.14229538e+00 11 1.52121255e+00 5.15449185e-01 -3.82822314e+00 12 6.81626586e-01 -9.01541674e-02 -9.06864025e-01 13 -1.13270302e+00 1.38596764e+00 2.29498235e+00 14 -9.70641444e-01 -4.26245799e-01 8.97900317e-01 15 -3.73158740e-01 6.76650261e-01 4.88760518e-01 16 9.77423834e-01 -7.57064017e-01 -6.39392007e-01 17 1.30586758e+00 3.81451997e-02 1.76330142e+00 18 4.06405861e+00 -4.33898316e-01 -1.43027131e+00 19 -5.38251558e-01 3.60531850e-01 -1.58751463e+00 20 1.45771899e-01 1.38703883e+00 -2.03308965e+00 21 -6.04126853e-01 8.20883337e-01 -8.19753592e-01 22 1.95062337e-01 -1.87868509e+00 2.53514894e+00 23 -5.69119372e-01 2.10692509e+00 -2.91467915e+00 24 -2.55603226e-01 5.86099306e-02 4.62674561e-01 25 -1.90185624e+00 -5.57401087e-01 3.98103871e+00 26 -3.27325092e+00 4.30256073e-01 3.76318294e+00 27 1.76142333e+00 -4.50016553e-01 -1.49092303e+00 28 2.65152565e+00 -3.53770845e-01 -4.12736554e+00 29 -3.36215961e-01 3.46569894e-01 2.24237072e+00 30 -8.26541358e-01 -1.43883201e+00 8.88449643e-01 31 -1.65723515e+00 2.04189252e+00 -1.01362284e+00 32 2.29903876e+00 -1.71901199e+00 -1.02155214e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = O (Configuration in file "config-T-O.xyz") ----------------------------------------------------------------------------------------------------- Energy = -28.153984758803634 Forces: 1 5.89348523e-01 5.11033441e-01 1.18649598e+00 2 1.02904040e+00 -2.68157697e+00 -1.91510789e+00 3 -1.23493288e+00 1.38883699e+00 5.62831859e-01 4 -4.66980449e-01 -7.24970630e-01 -2.52659372e+00 5 -1.87317490e+00 2.12116923e+00 9.21319431e-01 6 -4.99017402e-01 -1.08677297e+00 6.90079170e-01 7 -2.65102702e-01 8.80339798e-01 -4.70005817e-01 8 -1.67734279e+00 -1.06438203e+00 1.09456795e+00 9 1.74361969e+00 -8.90981610e-01 1.80955857e+00 10 -5.09764797e-01 -5.16535165e-01 1.14229538e+00 11 1.52121255e+00 5.15449185e-01 -3.82822314e+00 12 6.81626586e-01 -9.01541674e-02 -9.06864025e-01 13 -1.13270302e+00 1.38596764e+00 2.29498235e+00 14 -9.70641444e-01 -4.26245799e-01 8.97900317e-01 15 -3.73158740e-01 6.76650261e-01 4.88760518e-01 16 9.77423834e-01 -7.57064017e-01 -6.39392007e-01 17 1.30586758e+00 3.81451997e-02 1.76330142e+00 18 4.06405861e+00 -4.33898316e-01 -1.43027131e+00 19 -5.38251558e-01 3.60531850e-01 -1.58751463e+00 20 1.45771899e-01 1.38703883e+00 -2.03308965e+00 21 -6.04126853e-01 8.20883337e-01 -8.19753592e-01 22 1.95062337e-01 -1.87868509e+00 2.53514894e+00 23 -5.69119372e-01 2.10692509e+00 -2.91467915e+00 24 -2.55603226e-01 5.86099306e-02 4.62674561e-01 25 -1.90185624e+00 -5.57401087e-01 3.98103871e+00 26 -3.27325092e+00 4.30256073e-01 3.76318294e+00 27 1.76142333e+00 -4.50016553e-01 -1.49092303e+00 28 2.65152565e+00 -3.53770845e-01 -4.12736554e+00 29 -3.36215961e-01 3.46569894e-01 2.24237072e+00 30 -8.26541358e-01 -1.43883201e+00 8.88449643e-01 31 -1.65723515e+00 2.04189252e+00 -1.01362284e+00 32 2.29903876e+00 -1.71901199e+00 -1.02155214e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ta (Configuration in file "config-F-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = 330.4885195744676 Forces: 1 -1.19823432e+01 -4.34555832e+01 -2.77890148e+01 2 6.90485222e+01 -1.33790291e+02 -2.86719350e+01 3 5.81432431e+00 -1.44564993e-02 -5.17908689e+00 4 -8.62477113e+00 1.60650318e+01 9.51766020e+00 5 1.89609695e+00 -2.27651794e+01 -7.17089803e+00 6 1.69050782e+01 2.20865750e+01 -2.20854360e+01 7 2.84946800e+01 -4.25474320e+01 5.90354037e+00 8 6.29655657e+01 -2.62130773e+01 -7.23194426e+01 9 -9.41594618e+01 1.37639141e+02 -1.26812557e+01 10 -1.02681034e+02 1.06722774e+02 -7.75842332e+01 11 -2.11762108e+02 6.81376359e-01 -9.29651867e+01 12 -7.22764306e+01 8.83211507e+01 -1.06366000e+02 13 1.43105554e+01 -1.46414014e+02 -4.39094007e+01 14 8.49830588e+01 3.46218274e+01 -6.39775430e+01 15 3.56548599e+01 -1.06950488e+02 -1.19800377e+02 16 5.65090269e+01 1.14958646e+02 1.40630872e+02 17 7.35706383e+00 -1.18523236e+02 -9.65257329e+01 18 -7.80757408e+01 1.26185679e+01 -9.59253559e+00 19 -5.86383395e+01 -7.56279718e+01 2.05648229e+01 20 -4.00252496e+01 1.23954133e+02 1.03179969e+02 21 6.50107609e+00 -1.16675433e+02 4.39705221e+01 22 6.90228476e+01 1.17904114e+01 8.28891302e+00 23 1.42983618e+00 -1.83546388e+01 -3.06407810e+01 24 7.63854542e+01 1.16797630e+02 9.16437787e+01 25 2.34954790e+01 -2.00417146e+01 5.61904293e+01 26 -1.37678250e+00 -3.23617034e+00 2.52117303e+01 27 -1.44239733e+01 -2.51945861e+01 2.15257939e+01 28 -6.02808099e+00 1.26466636e+01 2.85122164e+01 29 1.22583287e+02 -2.10749113e+01 1.22150300e+02 30 1.09473604e+01 1.16282334e+02 9.37128088e+01 31 2.27418617e+01 -1.65291655e+01 2.36469696e+01 32 -1.69917190e+01 2.22220869e+01 2.26085332e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ta (Configuration in file "config-T-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = 330.4885195744676 Forces: 1 -1.19823432e+01 -4.34555832e+01 -2.77890148e+01 2 6.90485222e+01 -1.33790291e+02 -2.86719350e+01 3 5.81432431e+00 -1.44564993e-02 -5.17908689e+00 4 -8.62477113e+00 1.60650318e+01 9.51766020e+00 5 1.89609695e+00 -2.27651794e+01 -7.17089803e+00 6 1.69050782e+01 2.20865750e+01 -2.20854360e+01 7 2.84946800e+01 -4.25474320e+01 5.90354037e+00 8 6.29655657e+01 -2.62130773e+01 -7.23194426e+01 9 -9.41594618e+01 1.37639141e+02 -1.26812557e+01 10 -1.02681034e+02 1.06722774e+02 -7.75842332e+01 11 -2.11762108e+02 6.81376359e-01 -9.29651867e+01 12 -7.22764306e+01 8.83211507e+01 -1.06366000e+02 13 1.43105554e+01 -1.46414014e+02 -4.39094007e+01 14 8.49830588e+01 3.46218274e+01 -6.39775430e+01 15 3.56548599e+01 -1.06950488e+02 -1.19800377e+02 16 5.65090269e+01 1.14958646e+02 1.40630872e+02 17 7.35706383e+00 -1.18523236e+02 -9.65257329e+01 18 -7.80757408e+01 1.26185679e+01 -9.59253559e+00 19 -5.86383395e+01 -7.56279718e+01 2.05648229e+01 20 -4.00252496e+01 1.23954133e+02 1.03179969e+02 21 6.50107609e+00 -1.16675433e+02 4.39705221e+01 22 6.90228476e+01 1.17904114e+01 8.28891302e+00 23 1.42983618e+00 -1.83546388e+01 -3.06407810e+01 24 7.63854542e+01 1.16797630e+02 9.16437787e+01 25 2.34954790e+01 -2.00417146e+01 5.61904293e+01 26 -1.37678250e+00 -3.23617034e+00 2.52117303e+01 27 -1.44239733e+01 -2.51945861e+01 2.15257939e+01 28 -6.02808099e+00 1.26466636e+01 2.85122164e+01 29 1.22583287e+02 -2.10749113e+01 1.22150300e+02 30 1.09473604e+01 1.16282334e+02 9.37128088e+01 31 2.27418617e+01 -1.65291655e+01 2.36469696e+01 32 -1.69917190e+01 2.22220869e+01 2.26085332e+01 MIXED STRUCTURE (pbc=False)-- Species = Ag O Ta (Configuration in file "config-F-AgOTa.xyz") ----------------------------------------------------------------------------------------------------- Energy = 118.52248177086516 Forces: 1 -9.69871426e+00 -6.25011722e+00 -1.24790433e+01 2 -1.11541968e+01 -2.17818945e+01 -2.09296470e+01 3 -1.19967507e+01 -2.29562540e+01 3.44582791e+00 4 -5.23578093e+01 3.91880008e+00 2.37582148e+01 5 -1.57981176e+01 -1.20656121e+01 -2.99340400e+01 6 6.92552270e+01 -1.30456325e+02 -1.10149710e+02 7 3.90267586e+01 -2.82307372e+00 2.61852468e+01 8 -1.55562159e+01 -2.41344574e+01 -2.67261413e+01 9 -3.78392779e+01 1.28249572e+01 -1.53382215e+01 10 -4.19018516e+00 2.23215583e+01 -2.88940247e+01 11 -1.02502950e+01 -2.47541533e+00 6.06474711e+01 12 -1.95350113e+01 1.19621047e+01 -3.55421129e+00 13 1.31830919e+01 5.63405874e+01 -3.67257121e+01 14 1.15716052e+01 1.44187604e+01 -1.75585230e+01 15 1.89517192e+01 9.15584178e+01 1.21419400e+02 16 1.46537559e+01 7.71278419e+00 -4.58863118e+00 17 -4.27079375e+00 -2.03903614e+00 -8.49265220e+00 18 -9.23477851e+01 -3.34706429e+01 -3.79322961e+01 19 -2.95846655e+01 -2.84801964e+01 7.11298884e+00 20 4.76766532e+00 7.24828809e+00 2.91105470e+00 21 2.88081644e+01 -4.77122449e+01 1.99826246e+01 22 2.86652904e+01 3.71101894e+00 -4.08778609e+01 23 4.78241340e+01 -4.51921284e+01 3.28412357e+01 24 -6.76980844e+00 3.37331804e+01 4.84769344e+01 25 -2.25038232e+01 -2.10254626e+01 -4.71455585e+00 26 -2.47904368e+01 2.35316011e+01 5.01551920e+01 27 -7.03794353e+00 -1.70916820e+01 1.19429733e+01 28 2.18349562e+01 1.69303329e+01 -2.49391599e+01 29 5.24666338e+01 1.01303525e+02 -4.66057377e+00 30 5.91075955e+00 1.10108494e+01 -1.34801903e+01 31 3.34309596e+01 -1.91609625e+01 3.16800384e+01 32 -1.46688908e+01 1.85887391e+01 1.41599137e+00 MIXED STRUCTURE (pbc=True)-- Species = Ag O Ta (Configuration in file "config-T-AgOTa.xyz") ----------------------------------------------------------------------------------------------------- Energy = 201.89848580792514 Forces: 1 9.42342019e+00 -7.84340343e+00 -1.45185488e+01 2 -8.02285050e+00 -2.09552379e+01 1.05969334e+01 3 -2.63844194e+01 2.10882240e+01 -2.58110905e+01 4 -4.87320459e+01 9.08301421e+00 3.09156395e+01 5 -1.82155770e+01 1.26910970e+01 -3.42184038e+01 6 3.74181987e+01 -1.37376934e+02 -1.01602536e+02 7 3.87911319e+01 7.47123927e+01 6.23226376e+01 8 -1.56444482e+01 -2.42131571e+01 -2.66546756e+01 9 -8.43682702e+00 2.34558072e+01 1.64055815e+01 10 -5.44597014e+00 2.49676694e+01 -2.73778907e+01 11 -9.59694811e+00 -3.71214427e+00 6.38407255e+01 12 -2.25742570e+01 9.79951627e+00 -5.46264291e+00 13 3.60376710e+00 6.47286244e+01 -2.40287334e+01 14 -9.16537434e+00 -3.14597381e+01 -3.08399593e+01 15 2.25829972e+01 9.21916447e+01 9.64947504e+01 16 1.47441171e+01 -8.09304917e+01 -1.39970327e+01 17 6.46234981e+00 4.41925587e+00 -1.45012847e+01 18 -9.21785133e+01 -3.70805060e+01 -4.24154611e+01 19 -2.94524856e+01 -2.13294080e+01 1.03589655e+01 20 -1.12883802e+01 -5.20011416e+00 -3.26194903e+01 21 5.23915842e+01 -4.75093138e+00 5.03907586e+01 22 3.29563749e+01 5.88036746e+00 -3.79827759e+01 23 4.61374404e+01 -3.76549099e+01 2.48882243e+01 24 5.76527526e+00 2.18423057e+01 1.64850444e+01 25 -2.56162777e+00 -9.43911608e+00 1.24952652e+00 26 -3.66150959e+01 -5.16166243e+01 4.55611118e+01 27 -6.50196661e+00 -1.22581787e+01 6.39248701e+00 28 -2.25860308e+00 1.35539188e+01 -9.52599192e-01 29 5.30152545e+01 1.05611706e+02 -5.75617417e+00 30 2.68088290e+00 7.17629786e+00 -1.50904328e+01 31 4.00724606e+01 -1.93201941e+01 1.80522812e+00 32 -1.29698647e+01 1.39392473e+01 1.61221173e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1416798== Memcheck, a memory error detector ==1416798== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1416798== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1416798== Command: python runner2.py MEAM_LAMMPS_GaoOteroAouadi_2013_AgTaO__MO_112077942578_001 ==1416798== ==1418029== Warning: invalid file descriptor 1024 in syscall close() ==1418029== Warning: invalid file descriptor 1025 in syscall close() ==1418029== Warning: invalid file descriptor 1026 in syscall close() ==1418029== Warning: invalid file descriptor 1027 in syscall close() ==1418029== Use --log-fd= to select an alternative log fd. ==1418029== Warning: invalid file descriptor 1028 in syscall close() ==1418029== Warning: invalid file descriptor 1029 in syscall close() ==1416798== Mismatched free() / delete / delete [] ==1416798== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1416798== by 0x12C78438C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12BEB1F1E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==1416798== by 0x12BEB2E18: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==1416798== by 0x12BEB7762: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==1416798== by 0x12BE67246: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==1416798== by 0x12BDC76C7: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==1416798== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1416798== Address 0xa8f7d780 is 0 bytes inside a block of size 1,024 alloc'd ==1416798== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1416798== by 0x12C783B11: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12C65754D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12BEB1F1E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==1416798== by 0x12BEB2E18: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==1416798== by 0x12BEB7762: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==1416798== by 0x12BE67246: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==1416798== by 0x12BDC76C7: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==1416798== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1416798== ==1416798== Mismatched free() / delete / delete [] ==1416798== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1416798== by 0x12C77EDBD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12BEB1F1E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==1416798== by 0x12BEB2E18: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==1416798== by 0x12BEB7762: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==1416798== by 0x12BE67246: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==1416798== by 0x12BDC76C7: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==1416798== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1416798== Address 0xa8f7eef0 is 0 bytes inside a block of size 1,024 alloc'd ==1416798== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==1416798== by 0x12C77EB9B: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12C657578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12C658C83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12C641DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12C6455CE: ModelDriverCreateRoutine (in /mmfs1/scratch/bwaters2/bwaters/job-dc070124-b789-44af-9110-f8b5920a3935-007-5d7a1587-03c8-44cb-8618-ec04e465befc/VC_561022993723_004-and-MO_112077942578_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==1416798== by 0x12BEB1F1E: KIM::ModelImplementation::InitializeParameterizedModel(KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, KIM::Collections*) (in /usr/local/lib/libkim-api.so.2.2.1) ==1416798== by 0x12BEB2E18: KIM::ModelImplementation::ModelCreate(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&) (in /usr/local/lib/libkim-api.so.2.2.1) ==1416798== by 0x12BEB7762: KIM::ModelImplementation::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::ModelImplementation**) (in /usr/local/lib/libkim-api.so.2.2.1) ==1416798== by 0x12BE67246: KIM::Model::Create(KIM::Numbering, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, std::__cxx11::basic_string, std::allocator > const&, int*, KIM::Model**) (in /usr/local/lib/libkim-api.so.2.2.1) ==1416798== by 0x12BDC76C7: void pybind11::cpp_function::initialize, std::allocator > const&)#21}, pybind11::tuple, KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&, pybind11::name, pybind11::scope, pybind11::sibling, char [115], pybind11::arg, char [115], char [115], char [115], char [115], char [115], char [115]>(pybind11_init_model(pybind11::module_&)::{lambda(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&)#21}&&, pybind11::tuple (*)(KIM::Numbering const&, KIM::LengthUnit const&, KIM::EnergyUnit const&, KIM::ChargeUnit const&, KIM::TemperatureUnit const&, KIM::TimeUnit const&, std::__cxx11::basic_string, std::allocator > const&), pybind11::name const&, pybind11::scope const&, pybind11::sibling const&, char const (&) [115], pybind11::arg const&, char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115], char const (&) [115])::{lambda(pybind11::detail::function_call&)#3}::_FUN(pybind11::detail::function_call) (KIM_Model_bind.cpp:400) ==1416798== by 0x12BDDD17B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==1416798== ==1416798== ==1416798== HEAP SUMMARY: ==1416798== in use at exit: 2,257,767 bytes in 1,704 blocks ==1416798== total heap usage: 115,155 allocs, 113,451 frees, 137,955,294 bytes allocated ==1416798== ==1416798== LEAK SUMMARY: ==1416798== definitely lost: 0 bytes in 0 blocks ==1416798== indirectly lost: 0 bytes in 0 blocks ==1416798== possibly lost: 180,827 bytes in 103 blocks ==1416798== still reachable: 2,076,908 bytes in 1,600 blocks ==1416798== of which reachable via heuristic: ==1416798== stdstring : 38 bytes in 1 blocks ==1416798== suppressed: 32 bytes in 1 blocks ==1416798== Rerun with --leak-check=full to see details of leaked memory ==1416798== ==1416798== For lists of detected and suppressed errors, rerun with: -s ==1416798== ERROR SUMMARY: 26 errors from 2 contexts (suppressed: 8127 from 560) ================================================================================ 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.