!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_JangSeolLee_2019_CaZnMg__MO_708495328010_001 Supported species : Ca Mg Zn random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ca (Configuration in file "config-F-Ca.xyz") ----------------------------------------------------------------------------------------------------- Energy = 619.0334895460838 Forces: 1 -1.57856359e+01 -1.55667417e+01 -1.90473474e+01 2 2.89527786e-01 7.58046497e+00 -3.83842214e+01 3 -8.34707234e-01 -4.15539443e+01 1.07065657e+01 4 -3.66295351e+01 1.06333169e+01 5.59864657e+00 5 3.66563551e+00 -3.22036896e+01 -1.67346850e+01 6 2.08948984e+01 1.24459241e+00 -2.58646049e+01 7 3.42446852e+00 -1.98998739e+01 -9.39696003e+00 8 -9.51775276e+00 -8.44869776e+00 6.62382242e+00 9 -2.34828524e+01 -2.43268456e+00 -3.20075219e+01 10 -7.75377175e+00 4.22296656e+01 -4.41444710e+01 11 -1.32460189e+01 -1.54534795e+01 -1.89665876e+01 12 -3.44227211e+01 3.07851834e+01 7.40839291e-01 13 2.76988321e+00 -2.19428568e+01 -4.99174936e+01 14 3.08871541e+01 2.25667578e+01 -1.55053694e+01 15 6.27967140e+01 3.98272993e+00 3.32478365e+00 16 -3.47925257e+00 3.49406889e+01 4.56221432e+00 17 -3.23880243e+01 -2.33458959e+01 -1.04681030e+01 18 3.59871063e+00 6.22671747e-01 -1.22353083e+01 19 6.37387124e+00 -3.48194718e+01 2.40932295e+01 20 -2.54884499e+01 1.03936393e+01 2.68693852e+01 21 -1.34131297e+01 -4.18253215e+01 7.82745250e+00 22 5.17384813e+01 2.31650493e+01 1.29525357e+01 23 1.61553592e+01 -1.04850968e+01 2.21670474e+01 24 1.01789254e+01 5.60364437e+00 2.68218235e+01 25 -1.75658042e+01 -8.09501481e+00 4.38306524e+00 26 -1.26562640e+01 4.12348853e+01 2.22460227e+01 27 7.04075709e+00 -2.22577862e+01 2.13730638e+01 28 -3.70213179e+01 3.94468414e+01 2.19885046e+01 29 8.34039951e+00 -1.89000142e+01 1.40426367e+01 30 3.74914359e+01 3.08650129e+01 -3.43093261e+00 31 2.04829702e+01 -1.19000069e+01 2.31338744e+01 32 -2.44395407e+00 2.38354322e+01 3.66480930e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ca (Configuration in file "config-T-Ca.xyz") ----------------------------------------------------------------------------------------------------- Energy = 619.0334895460838 Forces: 1 -1.57856359e+01 -1.55667417e+01 -1.90473474e+01 2 2.89527786e-01 7.58046497e+00 -3.83842214e+01 3 -8.34707234e-01 -4.15539443e+01 1.07065657e+01 4 -3.66295351e+01 1.06333169e+01 5.59864657e+00 5 3.66563551e+00 -3.22036896e+01 -1.67346850e+01 6 2.08948984e+01 1.24459241e+00 -2.58646049e+01 7 3.42446852e+00 -1.98998739e+01 -9.39696003e+00 8 -9.51775276e+00 -8.44869776e+00 6.62382242e+00 9 -2.34828524e+01 -2.43268456e+00 -3.20075219e+01 10 -7.75377175e+00 4.22296656e+01 -4.41444710e+01 11 -1.32460189e+01 -1.54534795e+01 -1.89665876e+01 12 -3.44227211e+01 3.07851834e+01 7.40839291e-01 13 2.76988321e+00 -2.19428568e+01 -4.99174936e+01 14 3.08871541e+01 2.25667578e+01 -1.55053694e+01 15 6.27967140e+01 3.98272993e+00 3.32478365e+00 16 -3.47925257e+00 3.49406889e+01 4.56221432e+00 17 -3.23880243e+01 -2.33458959e+01 -1.04681030e+01 18 3.59871063e+00 6.22671747e-01 -1.22353083e+01 19 6.37387124e+00 -3.48194718e+01 2.40932295e+01 20 -2.54884499e+01 1.03936393e+01 2.68693852e+01 21 -1.34131297e+01 -4.18253215e+01 7.82745250e+00 22 5.17384813e+01 2.31650493e+01 1.29525357e+01 23 1.61553592e+01 -1.04850968e+01 2.21670474e+01 24 1.01789254e+01 5.60364437e+00 2.68218235e+01 25 -1.75658042e+01 -8.09501481e+00 4.38306524e+00 26 -1.26562640e+01 4.12348853e+01 2.22460227e+01 27 7.04075709e+00 -2.22577862e+01 2.13730638e+01 28 -3.70213179e+01 3.94468414e+01 2.19885046e+01 29 8.34039951e+00 -1.89000142e+01 1.40426367e+01 30 3.74914359e+01 3.08650129e+01 -3.43093261e+00 31 2.04829702e+01 -1.19000069e+01 2.31338744e+01 32 -2.44395407e+00 2.38354322e+01 3.66480930e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Mg (Configuration in file "config-F-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 185.58484999043998 Forces: 1 -1.01231766e+01 -1.14506864e+01 -4.66859224e+00 2 -2.09127951e+00 -1.82630177e+00 -1.56056765e+01 3 -9.71401264e+00 -1.59598660e+01 3.60386932e+00 4 -1.77332428e+01 -2.02083682e+00 3.30050792e+00 5 -2.66145423e+00 -1.65683996e+01 -2.10126515e+01 6 1.74913349e+01 6.13142973e+00 -1.49808639e+01 7 1.74597098e+01 -1.41076982e+01 1.04518702e+01 8 4.00547921e+00 1.33123647e+01 1.32226018e+01 9 -1.21689393e+01 5.80267898e+00 -1.37857655e+01 10 2.73558703e+00 1.02310452e+01 -5.97159795e+00 11 4.22687798e+00 8.22597861e+00 -3.26215595e+00 12 -5.73430294e+00 5.93323594e+00 1.05584611e+00 13 3.95236608e+00 7.47951834e+00 -1.25884215e+01 14 1.28200852e+00 1.03957516e+01 -1.40890282e+01 15 1.28575397e+01 -8.99650678e+00 4.81863657e+00 16 -4.35201456e+00 1.13582811e+01 -5.28593212e+00 17 -1.53745379e+01 -1.46455178e+01 -5.10603953e-01 18 4.65235800e+00 3.19430216e+00 5.63457339e+00 19 -3.96817273e+00 -8.97822564e+00 1.30786355e+01 20 -7.07606648e+00 -7.43681583e-01 1.01648875e+01 21 8.12426869e+00 -1.02155160e+01 -6.87389666e-01 22 1.45316643e+01 -4.89170208e-01 -8.78798399e+00 23 5.65789802e+00 -9.70766148e+00 8.30974596e+00 24 -5.95423250e+00 -3.73158753e+00 1.44158984e+01 25 -1.73531469e+01 -8.28678140e+00 -9.16327439e+00 26 -9.30699772e-01 2.15235617e+01 -5.73844965e+00 27 8.10424779e-01 -9.78941571e+00 1.90986894e+01 28 -8.77697592e+00 1.47468214e+01 1.13453058e+01 29 -3.71799140e+00 -1.49032087e+01 -1.74900105e+01 30 1.52044596e+01 1.72598300e+01 -1.00416855e+01 31 2.03700854e+01 -6.41686034e+00 1.87666218e+01 32 -5.63181588e+00 2.32431225e+01 2.64023933e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mg (Configuration in file "config-T-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 185.58484999043998 Forces: 1 -1.01231766e+01 -1.14506864e+01 -4.66859224e+00 2 -2.09127951e+00 -1.82630177e+00 -1.56056765e+01 3 -9.71401264e+00 -1.59598660e+01 3.60386932e+00 4 -1.77332428e+01 -2.02083682e+00 3.30050792e+00 5 -2.66145423e+00 -1.65683996e+01 -2.10126515e+01 6 1.74913349e+01 6.13142973e+00 -1.49808639e+01 7 1.74597098e+01 -1.41076982e+01 1.04518702e+01 8 4.00547921e+00 1.33123647e+01 1.32226018e+01 9 -1.21689393e+01 5.80267898e+00 -1.37857655e+01 10 2.73558703e+00 1.02310452e+01 -5.97159795e+00 11 4.22687798e+00 8.22597861e+00 -3.26215595e+00 12 -5.73430294e+00 5.93323594e+00 1.05584611e+00 13 3.95236608e+00 7.47951834e+00 -1.25884215e+01 14 1.28200852e+00 1.03957516e+01 -1.40890282e+01 15 1.28575397e+01 -8.99650678e+00 4.81863657e+00 16 -4.35201456e+00 1.13582811e+01 -5.28593212e+00 17 -1.53745379e+01 -1.46455178e+01 -5.10603953e-01 18 4.65235800e+00 3.19430216e+00 5.63457339e+00 19 -3.96817273e+00 -8.97822564e+00 1.30786355e+01 20 -7.07606648e+00 -7.43681583e-01 1.01648875e+01 21 8.12426869e+00 -1.02155160e+01 -6.87389666e-01 22 1.45316643e+01 -4.89170208e-01 -8.78798399e+00 23 5.65789802e+00 -9.70766148e+00 8.30974596e+00 24 -5.95423250e+00 -3.73158753e+00 1.44158984e+01 25 -1.73531469e+01 -8.28678140e+00 -9.16327439e+00 26 -9.30699772e-01 2.15235617e+01 -5.73844965e+00 27 8.10424779e-01 -9.78941571e+00 1.90986894e+01 28 -8.77697592e+00 1.47468214e+01 1.13453058e+01 29 -3.71799140e+00 -1.49032087e+01 -1.74900105e+01 30 1.52044596e+01 1.72598300e+01 -1.00416855e+01 31 2.03700854e+01 -6.41686034e+00 1.87666218e+01 32 -5.63181588e+00 2.32431225e+01 2.64023933e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Zn (Configuration in file "config-F-Zn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 261.0404084649289 Forces: 1 -2.54347685e+01 -5.08713410e+01 -3.51732299e+01 2 2.08109305e+01 1.80781392e+01 -2.85391022e+01 3 -2.30515419e+01 -1.48208998e+01 3.35833654e+01 4 -1.75595266e+01 3.27105885e+01 3.93664199e+01 5 9.90590813e+00 -2.59132668e+01 -3.45794218e+01 6 2.33302448e+01 1.15528137e+01 -4.77966863e+01 7 1.95337769e+01 -4.73412590e+01 2.86106106e+00 8 -2.56741801e+01 4.38580788e+00 2.79128705e+01 9 -4.15418193e+01 -1.01413956e+01 -3.74830912e+01 10 -4.94008670e+00 9.54410601e+01 -6.75002528e+01 11 -1.32942420e+01 -6.65446835e+01 6.80222263e+01 12 -1.73636003e+01 2.98109660e+01 3.60645518e+00 13 1.80140946e+01 -4.30854766e+01 -3.94378182e+01 14 1.69802559e+01 2.31459584e+01 -1.43277895e+01 15 2.72132602e+01 7.22779966e+00 1.58595268e+01 16 3.02349088e+01 2.81048361e+01 2.20762767e+01 17 -6.42607678e+00 -1.35826396e+01 -4.95409110e+00 18 4.22170206e+01 -3.29274462e+01 -3.15293820e+01 19 -3.98871022e+01 -2.43535264e+01 2.57483029e+01 20 -3.20104764e+01 -1.02553376e+01 3.83054338e+01 21 1.06798169e+01 -1.83539486e+01 -3.13466131e+01 22 1.54384608e+01 2.44406719e+01 2.82551410e+01 23 9.90745839e+00 -5.77133902e+00 9.45868250e+00 24 1.72132289e+01 1.84581263e+01 1.84759056e+01 25 -4.18934976e+01 1.00218103e+01 -1.28367933e+01 26 -8.94952600e+01 4.19207643e+01 -9.74584483e+01 27 -9.62918765e+00 -9.65250885e+00 4.21636123e+01 28 -1.99198476e+01 1.96712574e+01 1.86487496e+01 29 1.98271433e+01 -2.66023856e+01 -2.42188063e+01 30 8.10065489e+00 5.12883802e+00 7.50124534e-01 31 1.90540604e+01 4.20575300e+00 1.00619942e+01 32 9.96599898e+01 2.59122633e+01 1.02025378e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = Zn (Configuration in file "config-T-Zn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 261.0404084649289 Forces: 1 -2.54347685e+01 -5.08713410e+01 -3.51732299e+01 2 2.08109305e+01 1.80781392e+01 -2.85391022e+01 3 -2.30515419e+01 -1.48208998e+01 3.35833654e+01 4 -1.75595266e+01 3.27105885e+01 3.93664199e+01 5 9.90590813e+00 -2.59132668e+01 -3.45794218e+01 6 2.33302448e+01 1.15528137e+01 -4.77966863e+01 7 1.95337769e+01 -4.73412590e+01 2.86106106e+00 8 -2.56741801e+01 4.38580788e+00 2.79128705e+01 9 -4.15418193e+01 -1.01413956e+01 -3.74830912e+01 10 -4.94008670e+00 9.54410601e+01 -6.75002528e+01 11 -1.32942420e+01 -6.65446835e+01 6.80222263e+01 12 -1.73636003e+01 2.98109660e+01 3.60645518e+00 13 1.80140946e+01 -4.30854766e+01 -3.94378182e+01 14 1.69802559e+01 2.31459584e+01 -1.43277895e+01 15 2.72132602e+01 7.22779966e+00 1.58595268e+01 16 3.02349088e+01 2.81048361e+01 2.20762767e+01 17 -6.42607678e+00 -1.35826396e+01 -4.95409110e+00 18 4.22170206e+01 -3.29274462e+01 -3.15293820e+01 19 -3.98871022e+01 -2.43535264e+01 2.57483029e+01 20 -3.20104764e+01 -1.02553376e+01 3.83054338e+01 21 1.06798169e+01 -1.83539486e+01 -3.13466131e+01 22 1.54384608e+01 2.44406719e+01 2.82551410e+01 23 9.90745839e+00 -5.77133902e+00 9.45868250e+00 24 1.72132289e+01 1.84581263e+01 1.84759056e+01 25 -4.18934976e+01 1.00218103e+01 -1.28367933e+01 26 -8.94952600e+01 4.19207643e+01 -9.74584483e+01 27 -9.62918765e+00 -9.65250885e+00 4.21636123e+01 28 -1.99198476e+01 1.96712574e+01 1.86487496e+01 29 1.98271433e+01 -2.66023856e+01 -2.42188063e+01 30 8.10065489e+00 5.12883802e+00 7.50124534e-01 31 1.90540604e+01 4.20575300e+00 1.00619942e+01 32 9.96599898e+01 2.59122633e+01 1.02025378e+02 MIXED STRUCTURE (pbc=False)-- Species = Ca Mg Zn (Configuration in file "config-F-CaMgZn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 346.09968416087855 Forces: 1 -2.31920954e+01 -1.04311702e+01 -8.31431327e+00 2 -7.11383661e+01 5.73382391e+01 -5.58380908e+01 3 -1.87349404e+01 -6.53765854e+01 1.82977393e+01 4 -1.77190540e+01 -2.28600997e+00 -1.35885230e+01 5 5.45014123e+01 -6.90191483e+01 -4.19541155e+01 6 2.68799678e+01 1.66009443e+01 -2.75004302e+01 7 2.73143007e+01 -3.05936794e+01 -7.43723746e+00 8 2.33553088e+01 3.76177460e+01 3.94728212e+01 9 -1.74591274e+01 -3.52214592e+00 -2.47607346e+01 10 7.61406704e+00 1.87573524e+01 2.50127658e+00 11 -2.80446072e+01 -1.96072139e+01 3.17754918e+01 12 -3.64984940e+01 5.02886471e+00 -4.23207201e+00 13 9.91699232e+00 2.03912342e+00 6.21857356e+00 14 5.40640640e+00 7.78861436e+00 -1.00099464e+01 15 1.97178094e+01 -6.25210902e-02 -4.93564271e+00 16 -1.36869506e+01 1.21433252e+01 -2.81801607e+01 17 -1.57496186e+01 -2.66207440e+01 6.79983588e+00 18 2.21112963e+01 2.55359999e+01 -9.94800358e+00 19 -2.51983541e+01 -3.15694552e+01 2.48651105e+00 20 -2.10293486e+01 -2.39210259e+00 1.90708527e+01 21 -6.61348930e+00 -2.33119533e+01 1.33010077e+01 22 2.00067315e+01 1.04936403e+01 1.22674070e+01 23 7.74631369e+00 -4.04389073e+00 1.61857123e+00 24 1.86166893e+01 -3.59666059e+00 3.20901967e+01 25 3.07829389e+01 2.62639706e+01 -4.35563838e+01 26 7.85433841e+00 2.00196722e+01 3.16065982e+01 27 -1.46577691e+01 2.65173838e+01 2.50734398e+01 28 -2.03062101e+00 2.86968120e+00 2.84581641e+00 29 9.15781254e+00 -4.11344849e+00 1.19920965e+01 30 2.22026159e+01 1.74439789e+01 -6.98483536e+00 31 -9.35709891e+00 6.52986375e+00 4.25964194e+00 32 7.92493334e+00 3.55832892e+00 2.55626120e+01 MIXED STRUCTURE (pbc=True)-- Species = Ca Mg Zn (Configuration in file "config-T-CaMgZn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 458.4491976799819 Forces: 1 -2.07062925e+01 -1.47165039e+00 -2.03113475e+00 2 -7.92212135e+01 5.76723280e+01 -4.32000654e+01 3 -1.73458333e+01 -3.57720050e+01 2.59925522e+01 4 -2.72265478e+00 -4.34175329e-02 -1.36572816e+01 5 5.16252776e+01 -7.48768124e+01 -2.20637631e+01 6 1.28909720e+01 1.84087894e+01 -8.86970436e+00 7 1.03993195e+01 -2.00629260e+01 -1.69129245e+01 8 2.39160476e+01 3.84546982e+01 4.08028082e+01 9 -6.21460663e-02 6.18985442e-01 -1.37774645e+01 10 1.77242691e+01 -1.80434552e+01 -4.47534785e+00 11 -2.79950642e+01 -1.84531762e+01 3.15785149e+01 12 -2.07265329e+01 -2.85753599e+00 -1.07833358e+01 13 1.21991537e+01 9.77279585e-01 2.24877571e+01 14 -7.57086392e-01 7.75312289e+00 -2.61304709e+00 15 9.02575937e+00 -1.26306441e+00 -3.27901432e+00 16 -1.51057504e+01 9.08493591e+00 -2.91249233e+01 17 1.62947825e+00 -1.32365446e+01 1.18242351e+01 18 1.98881348e+01 2.53964765e+01 -1.13882857e+01 19 -1.99697519e+01 -2.51981896e+01 3.77286998e+00 20 -2.89797523e+00 -3.61747477e+00 1.15355744e+01 21 -1.14070252e+01 -1.55040692e+01 1.32479571e+01 22 1.80896421e+00 1.26805721e+01 6.29750159e+00 23 5.15889133e+00 -3.98084404e+00 -6.28211724e+00 24 1.85257322e+01 4.55534840e+00 -5.34626802e+00 25 3.62518467e+01 2.73405312e+01 -4.38790644e+01 26 8.24370474e+00 8.21846601e+00 3.23589079e+01 27 -1.46132986e+01 1.75043894e+01 1.71029698e+01 28 -4.06117496e+00 3.18206964e+00 -1.48938505e+00 29 8.70328936e+00 -5.47637177e+00 1.18351774e+01 30 1.11847842e+01 -4.35523072e+00 2.60115448e+00 31 -1.84386236e+01 9.12241706e+00 -7.36050809e+00 32 6.85479868e+00 3.24235815e+00 1.50956547e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==190086== Memcheck, a memory error detector ==190086== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==190086== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==190086== Command: python runner2.py MEAM_LAMMPS_JangSeolLee_2019_CaZnMg__MO_708495328010_001 ==190086== ==191023== Warning: invalid file descriptor 255988 in syscall close() ==191023== Warning: invalid file descriptor 255989 in syscall close() ==191023== Warning: invalid file descriptor 255990 in syscall close() ==191023== Warning: invalid file descriptor 255991 in syscall close() ==191023== Use --log-fd= to select an alternative log fd. ==191023== Warning: invalid file descriptor 255992 in syscall close() ==191023== Warning: invalid file descriptor 255993 in syscall close() ==190086== Mismatched free() / delete / delete [] ==190086== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==190086== by 0x11499838C: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x11486B54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x11486CC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x114855DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x1148595CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x1140C5F1E: 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) ==190086== by 0x1140C6E18: 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) ==190086== by 0x1140CB762: 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) ==190086== by 0x11407B246: 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) ==190086== by 0x113FDB6C7: 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) ==190086== by 0x113FF117B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==190086== Address 0x90b51110 is 0 bytes inside a block of size 1,024 alloc'd ==190086== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==190086== by 0x114997B11: MEAMC::ProcessLibraryFile(_IO_FILE*, int, std::vector, std::allocator >, std::allocator, std::allocator > > > const&) (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x11486B54D: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x11486CC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x114855DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x1148595CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x1140C5F1E: 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) ==190086== by 0x1140C6E18: 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) ==190086== by 0x1140CB762: 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) ==190086== by 0x11407B246: 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) ==190086== by 0x113FDB6C7: 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) ==190086== by 0x113FF117B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==190086== ==190086== Mismatched free() / delete / delete [] ==190086== at 0x483CFBF: operator delete(void*) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==190086== by 0x114992DBD: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x11486B578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x11486CC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x114855DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x1148595CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x1140C5F1E: 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) ==190086== by 0x1140C6E18: 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) ==190086== by 0x1140CB762: 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) ==190086== by 0x11407B246: 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) ==190086== by 0x113FDB6C7: 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) ==190086== by 0x113FF117B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==190086== Address 0x90b52920 is 0 bytes inside a block of size 1,024 alloc'd ==190086== at 0x483C583: operator new[](unsigned long) (in /usr/lib/x86_64-linux-gnu/valgrind/vgpreload_memcheck-amd64-linux.so) ==190086== by 0x114992B9B: MEAMC::ProcessParameterFile(_IO_FILE*, int) (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x11486B578: MEAMImplementation::ProcessParameterFiles(KIM::ModelDriverCreate*, int, _IO_FILE* const*) (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x11486CC83: MEAMImplementation::MEAMImplementation(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x114855DE7: MEAM::MEAM(KIM::ModelDriverCreate*, KIM::LengthUnit, KIM::EnergyUnit, KIM::ChargeUnit, KIM::TemperatureUnit, KIM::TimeUnit, int*) (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x1148595CE: ModelDriverCreateRoutine (in /work2/08773/bwaters/stampede2/bwaters/job-60c6b5b3-38c3-49bd-8644-a299556f546b-007-3120912c-2f80-412c-9b53-39450f69dca5/VC_561022993723_004-and-MO_708495328010_001-1669765229/staged_job_files/repository/md/MEAM_LAMMPS__MD_249792265679_001/libkim-api-model-driver.so) ==190086== by 0x1140C5F1E: 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) ==190086== by 0x1140C6E18: 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) ==190086== by 0x1140CB762: 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) ==190086== by 0x11407B246: 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) ==190086== by 0x113FDB6C7: 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) ==190086== by 0x113FF117B: pybind11::cpp_function::dispatcher(_object*, _object*, _object*) (pybind11.h:929) ==190086== ==190086== ==190086== HEAP SUMMARY: ==190086== in use at exit: 2,257,767 bytes in 1,704 blocks ==190086== total heap usage: 115,037 allocs, 113,333 frees, 129,435,520 bytes allocated ==190086== ==190086== LEAK SUMMARY: ==190086== definitely lost: 0 bytes in 0 blocks ==190086== indirectly lost: 0 bytes in 0 blocks ==190086== possibly lost: 180,827 bytes in 103 blocks ==190086== still reachable: 2,076,908 bytes in 1,600 blocks ==190086== of which reachable via heuristic: ==190086== stdstring : 38 bytes in 1 blocks ==190086== suppressed: 32 bytes in 1 blocks ==190086== Rerun with --leak-check=full to see details of leaked memory ==190086== ==190086== For lists of detected and suppressed errors, rerun with: -s ==190086== ERROR SUMMARY: 26 errors from 2 contexts (suppressed: 8232 from 573) ================================================================================ 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.