!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MaiselKoZhang_2017_VNiTi__MO_744610363128_001 Supported species : Ni Ti V random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -20.347921683265085 Forces: 1 -6.98115987e+00 -5.87657653e+00 -8.96369007e+00 2 -4.72605749e+00 9.09296978e+00 -4.53242905e+00 3 4.85667972e+00 -6.65769192e+00 4.74931264e+00 4 -6.40418976e+00 5.70478710e+00 3.70766078e+00 5 3.43458814e+00 -1.19599551e+01 -1.71870630e+00 6 6.17755896e+00 4.92668056e+00 -5.01264795e+00 7 3.96897510e+00 -2.36950078e+01 -2.26515970e+01 8 -1.12081922e+01 -1.00844692e+01 -4.30243920e+00 9 -3.16556257e+00 -1.23854213e+01 -1.43821191e+01 10 -2.67586187e+00 1.09710730e+01 -1.42246838e+01 11 -6.82549626e+00 -6.53783637e+00 1.10496689e+00 12 -8.91795186e+00 1.18161554e+01 1.21027157e+01 13 -8.82234676e+00 -1.14255908e+01 -3.20581357e+01 14 5.32720764e+00 7.64633656e+00 -3.56534871e+00 15 3.01454887e+01 -4.53078190e+00 8.65309377e+00 16 5.87610315e+00 2.38605476e+01 1.07403029e+01 17 -8.00690072e+00 -5.49951301e+00 -5.60815659e+00 18 2.29373670e+00 4.37537854e+00 -4.36049873e-01 19 2.84996715e+00 -1.09880073e+01 5.25737747e+00 20 -3.55922077e+00 5.70013048e+00 5.35776282e+00 21 -9.59387608e+00 -6.78393038e+00 7.01964635e+00 22 1.50875418e+01 1.94312365e+01 1.64625505e+01 23 2.26513381e+00 -9.51383887e-01 6.40829580e+00 24 4.61181071e+00 4.71710247e+00 4.43093967e+00 25 -1.31782765e+01 -8.11897554e+00 -1.24093629e+01 26 -4.97529481e+00 1.54807440e+01 -7.79539411e+00 27 1.50902839e+01 -2.60830294e+01 1.45569784e+01 28 -2.18730724e+01 2.29438722e+01 7.91993095e+00 29 -4.84816741e+00 -7.07544006e+00 8.33913111e+00 30 5.38492618e+00 1.06605498e+01 -4.47509478e-01 31 1.10050040e+01 -9.37830763e+00 1.02137345e+01 32 7.38662155e+00 1.07043541e+01 1.10838696e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -20.347921683265085 Forces: 1 -6.98115987e+00 -5.87657653e+00 -8.96369007e+00 2 -4.72605749e+00 9.09296978e+00 -4.53242905e+00 3 4.85667972e+00 -6.65769192e+00 4.74931264e+00 4 -6.40418976e+00 5.70478710e+00 3.70766078e+00 5 3.43458814e+00 -1.19599551e+01 -1.71870630e+00 6 6.17755896e+00 4.92668056e+00 -5.01264795e+00 7 3.96897510e+00 -2.36950078e+01 -2.26515970e+01 8 -1.12081922e+01 -1.00844692e+01 -4.30243920e+00 9 -3.16556257e+00 -1.23854213e+01 -1.43821191e+01 10 -2.67586187e+00 1.09710730e+01 -1.42246838e+01 11 -6.82549626e+00 -6.53783637e+00 1.10496689e+00 12 -8.91795186e+00 1.18161554e+01 1.21027157e+01 13 -8.82234676e+00 -1.14255908e+01 -3.20581357e+01 14 5.32720764e+00 7.64633656e+00 -3.56534871e+00 15 3.01454887e+01 -4.53078190e+00 8.65309377e+00 16 5.87610315e+00 2.38605476e+01 1.07403029e+01 17 -8.00690072e+00 -5.49951301e+00 -5.60815659e+00 18 2.29373670e+00 4.37537854e+00 -4.36049873e-01 19 2.84996715e+00 -1.09880073e+01 5.25737747e+00 20 -3.55922077e+00 5.70013048e+00 5.35776282e+00 21 -9.59387608e+00 -6.78393038e+00 7.01964635e+00 22 1.50875418e+01 1.94312365e+01 1.64625505e+01 23 2.26513381e+00 -9.51383887e-01 6.40829580e+00 24 4.61181071e+00 4.71710247e+00 4.43093967e+00 25 -1.31782765e+01 -8.11897554e+00 -1.24093629e+01 26 -4.97529481e+00 1.54807440e+01 -7.79539411e+00 27 1.50902839e+01 -2.60830294e+01 1.45569784e+01 28 -2.18730724e+01 2.29438722e+01 7.91993095e+00 29 -4.84816741e+00 -7.07544006e+00 8.33913111e+00 30 5.38492618e+00 1.06605498e+01 -4.47509478e-01 31 1.10050040e+01 -9.37830763e+00 1.02137345e+01 32 7.38662155e+00 1.07043541e+01 1.10838696e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 113.88425081541286 Forces: 1 -9.96881361e+00 -1.09646656e+01 -9.62282698e+00 2 1.53379473e+01 8.70026456e-01 -1.87318171e+01 3 1.15148032e+01 -2.03408392e+01 -6.22340561e+00 4 -2.37349452e+01 1.52283599e+01 5.33626799e-01 5 1.19522642e+00 -8.27559883e+00 -9.78093609e+00 6 1.11638758e+01 -4.64618608e+00 -6.21940254e+00 7 1.31560850e+01 -1.23536457e+01 -5.65038516e+00 8 -7.84863934e+00 1.23705134e+01 -6.75444205e+00 9 -1.95534062e+01 -4.71848488e+00 -1.63335739e+01 10 5.29875306e+00 1.66779870e+01 -2.52121727e+01 11 2.11800578e+01 -2.09375788e+01 1.46802532e+01 12 -2.73295368e+01 2.45283045e+01 5.58443361e+00 13 -1.16876108e+00 4.65033455e+00 -8.22334846e+00 14 6.58534299e+00 3.77190679e+00 -6.90381412e+00 15 1.25802313e+01 1.43966906e+01 -1.52246625e+01 16 6.70302207e+00 1.04432262e+01 2.75146940e+00 17 -2.48743879e+01 -2.56823872e+01 1.25800384e+01 18 2.01703640e+01 1.85967428e+00 -1.25620096e+01 19 2.72388717e-01 -1.53502180e+01 1.61010769e+01 20 -2.98127356e+01 -1.11150564e+01 1.91588883e+01 21 -6.70077299e+00 -2.67201107e+01 -6.91938098e+00 22 1.18647229e+01 -9.61218152e+00 1.71524420e+01 23 1.46640167e+01 -8.87764084e+00 9.13741369e+00 24 -6.38199416e+00 2.16154293e+01 2.13325550e+01 25 -2.17323933e+01 5.79561863e+00 -1.33861018e+01 26 2.72673720e+00 1.42187774e+01 6.21072618e+00 27 2.42660078e+01 8.49403651e+00 2.00600696e+01 28 -9.47917049e+00 1.17250849e+01 1.09727230e+01 29 -1.22746518e+01 -7.64819929e+00 -8.38710740e+00 30 1.16521265e+01 1.52367622e+01 -2.42345710e+00 31 1.01934339e+01 -2.42742624e+00 1.12987668e+01 32 3.35065779e-01 7.78748696e+00 1.10043610e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 113.88425081541286 Forces: 1 -9.96881361e+00 -1.09646656e+01 -9.62282698e+00 2 1.53379473e+01 8.70026456e-01 -1.87318171e+01 3 1.15148032e+01 -2.03408392e+01 -6.22340561e+00 4 -2.37349452e+01 1.52283599e+01 5.33626799e-01 5 1.19522642e+00 -8.27559883e+00 -9.78093609e+00 6 1.11638758e+01 -4.64618608e+00 -6.21940254e+00 7 1.31560850e+01 -1.23536457e+01 -5.65038516e+00 8 -7.84863934e+00 1.23705134e+01 -6.75444205e+00 9 -1.95534062e+01 -4.71848488e+00 -1.63335739e+01 10 5.29875306e+00 1.66779870e+01 -2.52121727e+01 11 2.11800578e+01 -2.09375788e+01 1.46802532e+01 12 -2.73295368e+01 2.45283045e+01 5.58443361e+00 13 -1.16876108e+00 4.65033455e+00 -8.22334846e+00 14 6.58534299e+00 3.77190679e+00 -6.90381412e+00 15 1.25802313e+01 1.43966906e+01 -1.52246625e+01 16 6.70302207e+00 1.04432262e+01 2.75146940e+00 17 -2.48743879e+01 -2.56823872e+01 1.25800384e+01 18 2.01703640e+01 1.85967428e+00 -1.25620096e+01 19 2.72388717e-01 -1.53502180e+01 1.61010769e+01 20 -2.98127356e+01 -1.11150564e+01 1.91588883e+01 21 -6.70077299e+00 -2.67201107e+01 -6.91938098e+00 22 1.18647229e+01 -9.61218152e+00 1.71524420e+01 23 1.46640167e+01 -8.87764084e+00 9.13741369e+00 24 -6.38199416e+00 2.16154293e+01 2.13325550e+01 25 -2.17323933e+01 5.79561863e+00 -1.33861018e+01 26 2.72673720e+00 1.42187774e+01 6.21072618e+00 27 2.42660078e+01 8.49403651e+00 2.00600696e+01 28 -9.47917049e+00 1.17250849e+01 1.09727230e+01 29 -1.22746518e+01 -7.64819929e+00 -8.38710740e+00 30 1.16521265e+01 1.52367622e+01 -2.42345710e+00 31 1.01934339e+01 -2.42742624e+00 1.12987668e+01 32 3.35065779e-01 7.78748696e+00 1.10043610e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = V (Configuration in file "config-F-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = -21.30666674738137 Forces: 1 -3.77054082e+00 -4.05503610e+00 -7.41841472e+00 2 2.60736652e+00 -6.20870930e+00 -8.56976677e+00 3 7.56178311e+00 -1.34189559e+01 -1.79006222e+00 4 -1.19882638e+01 8.06554244e+00 -2.46071429e+00 5 -3.28876088e+00 -5.38908720e+00 -4.67069336e+00 6 6.17953115e+00 -1.54941400e-02 -8.07186350e+00 7 8.19473198e+00 -6.90706671e+00 7.42169156e-01 8 -2.85000482e+00 -7.57011732e+00 -1.30204105e+01 9 -1.59055181e+01 -7.92703962e+00 -1.51152952e+01 10 6.35208439e+00 1.66740697e+01 -1.32071964e+01 11 1.00484232e+01 -1.00778575e+01 9.49136922e+00 12 -1.99834312e+01 2.12961888e+01 3.25135952e+00 13 4.19360198e+00 9.10426702e-01 -1.07686093e+01 14 3.45828389e+00 1.24300952e+00 -2.22118401e+00 15 1.85964262e+01 1.07799818e+01 -5.77981621e+00 16 4.28035438e+00 9.13273569e+00 4.08001006e+00 17 -6.54712136e+00 -6.90605922e+00 8.34008575e+00 18 -1.32098708e+01 -6.75475644e+00 5.88366440e+00 19 -2.63399004e+00 -8.96016452e+00 3.73671525e+00 20 -4.86247124e+00 1.55836753e+00 3.04425399e+00 21 3.09404695e-01 -1.10004995e+01 1.53766379e+00 22 1.20778477e+01 -6.31654276e+00 1.08153609e+01 23 3.54006481e+00 -2.89309163e+00 2.97368959e+00 24 3.46532611e+00 5.34639196e+00 8.53619905e+00 25 -1.14042147e+01 -2.95615312e+00 5.83201809e+00 26 1.39598525e+00 1.24047161e+01 -6.53372507e+00 27 -1.36874707e+00 -6.91183753e+00 1.22521665e+01 28 -5.63613551e+00 4.78854906e+00 4.34533090e+00 29 1.28689969e+00 1.52152000e+01 7.27119663e+00 30 5.74726254e+00 3.51365100e+00 -2.58312935e+00 31 2.90023759e+00 -2.89977525e-01 3.81939587e+00 32 1.25345508e+00 3.62961574e+00 6.25823222e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = V (Configuration in file "config-T-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = -21.30666674738137 Forces: 1 -3.77054082e+00 -4.05503610e+00 -7.41841472e+00 2 2.60736652e+00 -6.20870930e+00 -8.56976677e+00 3 7.56178311e+00 -1.34189559e+01 -1.79006222e+00 4 -1.19882638e+01 8.06554244e+00 -2.46071429e+00 5 -3.28876088e+00 -5.38908720e+00 -4.67069336e+00 6 6.17953115e+00 -1.54941400e-02 -8.07186350e+00 7 8.19473198e+00 -6.90706671e+00 7.42169156e-01 8 -2.85000482e+00 -7.57011732e+00 -1.30204105e+01 9 -1.59055181e+01 -7.92703962e+00 -1.51152952e+01 10 6.35208439e+00 1.66740697e+01 -1.32071964e+01 11 1.00484232e+01 -1.00778575e+01 9.49136922e+00 12 -1.99834312e+01 2.12961888e+01 3.25135952e+00 13 4.19360198e+00 9.10426702e-01 -1.07686093e+01 14 3.45828389e+00 1.24300952e+00 -2.22118401e+00 15 1.85964262e+01 1.07799818e+01 -5.77981621e+00 16 4.28035438e+00 9.13273569e+00 4.08001006e+00 17 -6.54712136e+00 -6.90605922e+00 8.34008575e+00 18 -1.32098708e+01 -6.75475644e+00 5.88366440e+00 19 -2.63399004e+00 -8.96016452e+00 3.73671525e+00 20 -4.86247124e+00 1.55836753e+00 3.04425399e+00 21 3.09404695e-01 -1.10004995e+01 1.53766379e+00 22 1.20778477e+01 -6.31654276e+00 1.08153609e+01 23 3.54006481e+00 -2.89309163e+00 2.97368959e+00 24 3.46532611e+00 5.34639196e+00 8.53619905e+00 25 -1.14042147e+01 -2.95615312e+00 5.83201809e+00 26 1.39598525e+00 1.24047161e+01 -6.53372507e+00 27 -1.36874707e+00 -6.91183753e+00 1.22521665e+01 28 -5.63613551e+00 4.78854906e+00 4.34533090e+00 29 1.28689969e+00 1.52152000e+01 7.27119663e+00 30 5.74726254e+00 3.51365100e+00 -2.58312935e+00 31 2.90023759e+00 -2.89977525e-01 3.81939587e+00 32 1.25345508e+00 3.62961574e+00 6.25823222e+00 MIXED STRUCTURE (pbc=False)-- Species = Ni Ti V (Configuration in file "config-F-NiTiV.xyz") ----------------------------------------------------------------------------------------------------- Energy = 102.09506517926775 Forces: 1 -1.01220547e+01 -9.37715527e+00 -1.45885229e+01 2 -1.84821061e+01 4.81092279e+00 -2.42224603e+01 3 8.08473265e+00 -3.08097490e+01 -8.20538826e+00 4 -2.36363874e+01 1.38183071e+01 -7.75476987e+00 5 9.00646668e-01 -2.44390218e+01 -1.51579546e+01 6 1.03070451e+01 1.05252071e+01 -1.71440074e+01 7 1.31944893e+01 -1.70169531e+01 1.07534123e+01 8 2.30854117e+01 -1.84317152e+01 1.88497357e+01 9 -1.19434147e+01 -4.46719457e+00 -9.42629259e+00 10 -3.55067306e+00 2.73650507e+01 -1.14131022e+01 11 -2.08423080e+01 1.77494192e+01 1.39127915e+01 12 -5.72184162e+00 1.29937773e+01 1.28355968e+00 13 1.69279954e+01 -2.53976612e+00 -2.50563643e+01 14 3.55768320e+00 7.23373935e+00 -7.87778942e+00 15 1.61595008e+01 -4.32933943e+00 -4.21180786e+00 16 -1.97653500e+01 1.53852706e+01 -2.00644153e+01 17 -2.96825325e+01 -2.14925087e+01 -1.96527631e+00 18 1.03269357e+01 4.46008767e+01 3.24972311e+00 19 -1.63656752e+00 -3.04995134e+01 2.32699701e+01 20 -1.10085076e+01 1.05620812e+01 1.22362057e+01 21 1.33760756e+01 -2.50716434e+01 -1.56343373e+00 22 1.10434071e+01 9.77429345e+00 1.67034004e+00 23 7.86452565e+00 -9.01517257e+00 7.95375579e+00 24 9.49613744e+00 1.42851826e+01 1.62978990e+01 25 -1.36207083e+01 -5.97378501e+00 7.51451679e+00 26 -9.74129551e+00 2.63992113e+01 -3.01360809e+01 27 5.08664358e+00 -4.96507491e+01 3.17553246e+01 28 -3.04013781e+01 3.31654773e+01 5.26845718e+00 29 8.21312144e+00 -2.12905192e+01 3.60646237e-01 30 3.24687955e+01 1.25961599e+01 1.62919592e+01 31 6.35162886e+00 -7.12688062e+00 8.22824463e+00 32 1.37103494e+01 2.02666896e+01 1.98911243e+01 MIXED STRUCTURE (pbc=True)-- Species = Ni Ti V (Configuration in file "config-T-NiTiV.xyz") ----------------------------------------------------------------------------------------------------- Energy = 131.4248098266722 Forces: 1 -8.63807513e-01 -9.99084460e+00 -1.28450289e+01 2 -1.71612925e+01 2.56357856e+00 -6.99156651e+00 3 1.07177426e+01 -2.15162337e+01 -3.69093996e+00 4 -1.32077213e+01 1.61207054e+01 -6.37786794e+00 5 -2.41480815e+00 -9.64066550e+00 -1.93512207e+00 6 -1.71396704e+00 1.36702192e+01 -3.76117492e+00 7 6.14046876e+00 -1.18174927e+01 1.36088264e+01 8 2.08480933e+01 -1.71738197e+01 1.89866113e+01 9 -8.87831700e+00 -3.13053055e+00 5.92760176e+00 10 -5.81460541e+00 1.29280919e+01 1.38635672e-01 11 -2.06045636e+01 1.71731898e+01 1.25982337e+01 12 -3.41010716e+00 5.33568845e+00 4.65397310e+00 13 1.96761123e+01 -5.52025380e+00 -1.80550789e+01 14 2.57942704e+00 -1.31142484e+00 -2.92334810e+00 15 2.91930684e+00 -5.61302022e+00 -5.92944780e+00 16 -2.20593214e+01 2.39038787e+00 -1.94702931e+01 17 -2.07232118e+01 -2.25816770e+01 -5.39927356e+00 18 8.75069868e+00 4.44031253e+01 3.05564454e+00 19 -4.12552217e+00 -2.42493083e+01 1.84575897e+01 20 3.78873141e+00 1.63313048e+01 -3.98612919e+00 21 1.16022565e+01 -9.16342348e+00 -1.02777772e+00 22 -4.02408648e-01 8.26291482e+00 2.93771588e+00 23 7.29317996e-01 -1.08542218e+01 -2.79821797e+00 24 1.27020580e+01 2.25744946e+01 -7.61641309e+00 25 -5.36220972e-02 -6.28244069e+00 9.67264032e+00 26 -9.42345307e+00 2.19517598e+01 -2.90696827e+01 27 1.05017003e+01 -4.85317422e+01 1.32833518e+01 28 -3.00336576e+01 3.44625630e+01 -1.57832409e+00 29 6.63004779e+00 -1.98407725e+01 2.35174192e-01 30 3.00939573e+01 9.32930393e+00 1.54710731e+01 31 -4.21503881e+00 -8.04695439e+00 5.56070704e+00 32 1.74255065e+01 7.76749847e+00 8.86790801e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==147177== Memcheck, a memory error detector ==147177== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==147177== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==147177== Command: python runner2.py MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_001 ==147177== ==147578== Warning: invalid file descriptor 255988 in syscall close() ==147578== Warning: invalid file descriptor 255989 in syscall close() ==147578== Warning: invalid file descriptor 255990 in syscall close() ==147578== Warning: invalid file descriptor 255991 in syscall close() ==147578== Use --log-fd= to select an alternative log fd. ==147578== Warning: invalid file descriptor 255992 in syscall close() ==147578== Warning: invalid file descriptor 255993 in syscall close() ==147177== Mismatched free() / delete / delete [] ==147177== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==147177== by 0x119E7639C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x119D4954D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x119D4AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x119D33DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x119D375CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x292B3F1E: 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) ==147177== by 0x292B4E18: 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) ==147177== by 0x292B9762: 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) ==147177== by 0x29269246: 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) ==147177== by 0x1AACA4C7: 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) ==147177== by 0x1AADE2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==147177== Address 0x4f8e4340 is 0 bytes inside a block of size 1,024 alloc'd ==147177== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==147177== by 0x119E75B21: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x119D4954D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x119D4AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x119D33DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x119D375CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x292B3F1E: 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) ==147177== by 0x292B4E18: 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) ==147177== by 0x292B9762: 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) ==147177== by 0x29269246: 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) ==147177== by 0x1AACA4C7: 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) ==147177== by 0x1AADE2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==147177== ==147177== Mismatched free() / delete / delete [] ==147177== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==147177== by 0x119E70DCD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x119D49578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x119D4AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x119D33DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x119D375CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x292B3F1E: 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) ==147177== by 0x292B4E18: 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) ==147177== by 0x292B9762: 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) ==147177== by 0x29269246: 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) ==147177== by 0x1AACA4C7: 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) ==147177== by 0x1AADE2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==147177== Address 0x4f8e5b50 is 0 bytes inside a block of size 1,024 alloc'd ==147177== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==147177== by 0x119E70BAB: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x119D49578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x119D4AC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x119D33DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x119D375CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-2af048e7-fe85-43a7-8a04-b397016afc0d-007-6cb29c6c-e719-4e89-94fd-ad123ec4e621/VC_561022993723_003-and-MO_744610363128_001-1657321998/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==147177== by 0x292B3F1E: 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) ==147177== by 0x292B4E18: 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) ==147177== by 0x292B9762: 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) ==147177== by 0x29269246: 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) ==147177== by 0x1AACA4C7: 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) ==147177== by 0x1AADE2E3: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:792) ==147177== ==147177== ==147177== HEAP SUMMARY: ==147177== in use at exit: 2,203,207 bytes in 1,644 blocks ==147177== total heap usage: 118,952 allocs, 117,308 frees, 142,818,671 bytes allocated ==147177== ==147177== LEAK SUMMARY: ==147177== definitely lost: 0 bytes in 0 blocks ==147177== indirectly lost: 0 bytes in 0 blocks ==147177== possibly lost: 198,622 bytes in 101 blocks ==147177== still reachable: 2,004,553 bytes in 1,542 blocks ==147177== suppressed: 32 bytes in 1 blocks ==147177== Rerun with --leak-check=full to see details of leaked memory ==147177== ==147177== For lists of detected and suppressed errors, rerun with: -s ==147177== ERROR SUMMARY: 26 errors from 2 contexts (suppressed: 9422 from 574) ================================================================================ 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.