Enter a model name: === Verification check vc-memory-leak start (2022-11-29 19:08:06) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Sim_LAMMPS_Buckingham_SunStirnerHagston_2006_AlO__SM_466046725502_000 Supported species : Al O random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 18505.808099792062 Forces: 1 -1.24170518e+02 -1.14282253e+02 -1.21603110e+02 2 -3.79737273e+01 -4.98780042e+01 -1.88344989e+02 3 -4.86707973e+01 -1.83354129e+02 -4.23563430e+01 4 -1.84605601e+02 -2.98887056e+01 -4.78746465e+01 5 3.51571284e+01 -1.64429015e+02 -1.36886355e+02 6 1.41759592e+02 -5.02887071e+01 -1.55161969e+02 7 1.44594909e+02 -1.68882403e+02 -5.98649139e+01 8 4.78815929e+01 -6.43937625e+01 -4.98294760e+01 9 -1.33331331e+02 3.66566314e+01 -1.72482502e+02 10 -3.88313145e+01 1.70226614e+02 -1.62430848e+02 11 -7.48251221e+01 2.49070468e+01 -6.22617252e+01 12 -1.62825713e+02 1.49649719e+02 -4.36227012e+01 13 5.59217290e+01 3.86871179e+01 -2.06067216e+02 14 1.33207045e+02 1.29468743e+02 -1.19739533e+02 15 2.03617086e+02 4.52490657e+01 -4.81051093e+01 16 3.74660504e+01 2.07896260e+02 -3.58407934e+01 17 -1.61371430e+02 -1.37657043e+02 3.35973630e+01 18 -5.69726924e+01 -5.78967969e+01 5.29982579e+01 19 -3.35831199e+01 -1.61328634e+02 1.38764184e+02 20 -1.43961972e+02 -3.20462944e+01 1.45802621e+02 21 4.31935865e+01 -1.83462286e+02 6.41371460e+01 22 2.04753759e+02 -3.75022256e+01 5.40127159e+01 23 1.23585610e+02 -9.86823432e+01 1.30059697e+02 24 3.26620929e+01 -4.59101333e+01 1.89570790e+02 25 -1.82170888e+02 4.73234407e+01 4.03188088e+01 26 -4.64153433e+01 1.99602478e+02 4.74092980e+01 27 -5.45740807e+01 2.19754335e+01 1.81926955e+02 28 -1.44769843e+02 1.30128629e+02 1.25541410e+02 29 5.22779546e+01 3.99620422e+01 7.40964512e+01 30 1.65652453e+02 1.56185201e+02 4.35885485e+01 31 1.57266137e+02 3.59132634e+01 1.55814926e+02 32 5.00567682e+01 1.46051050e+02 1.74833057e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 14054.93609992867 Forces: 1 -1.23615300e+02 -1.13795786e+02 -1.21108070e+02 2 -3.78472414e+01 -4.96667112e+01 -1.87772188e+02 3 -4.84479499e+01 -1.82789132e+02 -4.22125190e+01 4 -1.84019766e+02 -2.97264059e+01 -4.76594595e+01 5 3.50149075e+01 -1.63898190e+02 -1.36407896e+02 6 1.41222176e+02 -5.00560497e+01 -1.54603977e+02 7 1.44119919e+02 -1.68414718e+02 -5.97324347e+01 8 4.76637522e+01 -6.42694231e+01 -4.96855234e+01 9 -1.32871023e+02 3.64379830e+01 -1.71919344e+02 10 -3.87057549e+01 1.69697246e+02 -1.61940464e+02 11 -7.46570385e+01 2.47345687e+01 -6.20648401e+01 12 -1.62289910e+02 1.49147152e+02 -4.33967796e+01 13 5.57048881e+01 3.84649632e+01 -2.05605431e+02 14 1.32662352e+02 1.28937302e+02 -1.19254872e+02 15 2.03140683e+02 4.50441097e+01 -4.79213217e+01 16 3.73389998e+01 2.07403184e+02 -3.56681939e+01 17 -1.60810539e+02 -1.37133813e+02 3.34145033e+01 18 -5.67813326e+01 -5.76755642e+01 5.28274479e+01 19 -3.33743093e+01 -1.60770662e+02 1.38287162e+02 20 -1.43417824e+02 -3.18225133e+01 1.45260650e+02 21 4.29579982e+01 -1.82921684e+02 6.39370362e+01 22 2.04162649e+02 -3.72710360e+01 5.38926378e+01 23 1.23023858e+02 -9.82177323e+01 1.29523670e+02 24 3.25376501e+01 -4.57307376e+01 1.88989468e+02 25 -1.81695324e+02 4.70996448e+01 4.01894259e+01 26 -4.62893619e+01 1.99084207e+02 4.72082898e+01 27 -5.43494150e+01 2.17290766e+01 1.81385893e+02 28 -1.44281080e+02 1.29644479e+02 1.25007889e+02 29 5.20930692e+01 3.97665322e+01 7.39441088e+01 30 1.65096571e+02 1.55678523e+02 4.34477597e+01 31 1.56789601e+02 3.57084837e+01 1.55347759e+02 32 4.99240937e+01 1.45582702e+02 1.74289614e+02 MONOATOMIC STRUCTURE (pbc=False)-- Species = O (Configuration in file "config-F-O.xyz") ----------------------------------------------------------------------------------------------------- Energy = 8333.408040880204 Forces: 1 -5.79618406e+01 -5.67712730e+01 -6.28727808e+01 2 -2.25525280e+01 -1.32364262e+01 -9.52769189e+01 3 -2.04667090e+01 -8.57567260e+01 -1.91814234e+01 4 -9.61751899e+01 -2.11909772e+01 -2.16929683e+01 5 2.13117947e+01 -7.74595802e+01 -6.72325671e+01 6 6.97107062e+01 -2.04441330e+01 -7.22775114e+01 7 6.80317921e+01 -7.54821257e+01 -2.14608025e+01 8 2.92056202e+01 -2.87520421e+01 -2.71569702e+01 9 -7.70214068e+01 1.78208396e+01 -6.62373595e+01 10 -2.09727660e+01 7.60832643e+01 -7.61557047e+01 11 -2.40330586e+01 2.54533470e+01 -2.73922806e+01 12 -7.27736616e+01 7.24206303e+01 -1.81147496e+01 13 2.45379284e+01 1.98557855e+01 -9.71509731e+01 14 6.21273775e+01 5.57637958e+01 -5.50268601e+01 15 9.03702388e+01 2.32320407e+01 -2.14568773e+01 16 2.63598719e+01 9.53684393e+01 -2.15307859e+01 17 -6.63974290e+01 -7.94852584e+01 1.87346544e+01 18 -2.43087971e+01 -2.35053311e+01 3.22547789e+01 19 -2.20106990e+01 -7.12420822e+01 7.14550087e+01 20 -6.65183592e+01 -2.52487176e+01 7.64645892e+01 21 1.22847231e+01 -8.96506721e+01 9.35566971e+00 22 9.38598365e+01 -2.54776034e+01 1.69391396e+01 23 6.20667488e+01 -6.72677038e+01 7.10196270e+01 24 1.14626690e+01 -6.29083774e+00 8.43599132e+01 25 -9.53554488e+01 2.42593996e+01 2.89454992e+01 26 -3.11073061e+01 9.11562217e+01 1.92318586e+01 27 -1.74087182e+01 1.64309808e+01 8.90069863e+01 28 -5.01924588e+01 5.57083820e+01 6.08099528e+01 29 2.99801329e+01 3.12193268e+01 3.33892948e+01 30 7.10340090e+01 7.23629883e+01 1.80552328e+01 31 7.48851113e+01 2.08354673e+01 6.86809121e+01 32 1.80278164e+01 6.92905807e+01 7.15144161e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = O (Configuration in file "config-T-O.xyz") ----------------------------------------------------------------------------------------------------- Energy = 6355.501230840079 Forces: 1 -5.77379823e+01 -5.65477580e+01 -6.26169986e+01 2 -2.24750360e+01 -1.31530713e+01 -9.50194269e+01 3 -2.03617334e+01 -8.55568261e+01 -1.90842896e+01 4 -9.59294836e+01 -2.11033140e+01 -2.16255253e+01 5 2.12583737e+01 -7.72285295e+01 -6.69946242e+01 6 6.94531105e+01 -2.03416724e+01 -7.20387192e+01 7 6.77942793e+01 -7.52827173e+01 -2.13891753e+01 8 2.91256611e+01 -2.86883582e+01 -2.70700007e+01 9 -7.67609469e+01 1.77405873e+01 -6.60345056e+01 10 -2.09139109e+01 7.58614755e+01 -7.59376242e+01 11 -2.39801486e+01 2.53868228e+01 -2.73233163e+01 12 -7.25339776e+01 7.22004627e+01 -1.80285413e+01 13 2.44757796e+01 1.97845559e+01 -9.68899737e+01 14 6.18989796e+01 5.55553340e+01 -5.48153687e+01 15 9.01240947e+01 2.31825036e+01 -2.14002089e+01 16 2.62987799e+01 9.51301902e+01 -2.14602341e+01 17 -6.61565948e+01 -7.92424601e+01 1.86580274e+01 18 -2.42112251e+01 -2.34538705e+01 3.21968562e+01 19 -2.19572720e+01 -7.09947726e+01 7.12305465e+01 20 -6.62806409e+01 -2.51471444e+01 7.62512864e+01 21 1.22130000e+01 -8.94154946e+01 9.25047902e+00 22 9.35901073e+01 -2.53760915e+01 1.68559029e+01 23 6.18555028e+01 -6.70594164e+01 7.07956619e+01 24 1.13571850e+01 -6.20758636e+00 8.41450450e+01 25 -9.50912279e+01 2.41948824e+01 2.88415181e+01 26 -3.10113539e+01 9.09185794e+01 1.91592676e+01 27 -1.73251176e+01 1.63319089e+01 8.87858996e+01 28 -4.99790908e+01 5.54649224e+01 6.05486044e+01 29 2.98976491e+01 3.11118277e+01 3.33108533e+01 30 7.07933317e+01 7.21194216e+01 1.79545555e+01 31 7.46233157e+01 2.07803398e+01 6.84678569e+01 32 1.79465923e+01 6.90352689e+01 7.12761719e+01 MIXED STRUCTURE (pbc=False)-- Species = Al O (Configuration in file "config-F-AlO.xyz") ----------------------------------------------------------------------------------------------------- Energy = -39.545179840006085 Forces: 1 1.59716980e+01 2.25683776e+01 2.85686846e+01 2 -1.60531566e+01 -4.73378944e+01 -7.12339288e+01 3 2.52102509e+01 -6.36156977e+01 -2.23548503e+01 4 -8.20617341e+01 4.47656637e+00 1.46116984e+00 5 -2.38108806e+01 5.29031309e+00 3.27486218e+01 6 -1.42408142e+01 -7.30863154e+00 8.18863563e+00 7 4.71876988e+01 1.46242758e+01 -5.54357291e+01 8 -5.52902544e+01 2.87143609e+00 2.75049546e+01 9 4.17566566e+01 -1.90813334e+01 1.30068748e+01 10 -2.94448124e+01 5.71634073e+01 -2.78686197e+01 11 -1.53269608e+01 2.45743487e+01 1.85207478e+01 12 2.98830217e+01 -6.09908651e+00 1.68532047e+01 13 1.08583966e+02 1.94504172e+01 -4.81696683e+01 14 -2.34830167e+01 6.35351161e-01 -7.55154637e+00 15 -3.06896023e+01 -5.95614378e+00 2.55133921e+01 16 -3.87071462e+01 -2.84598533e+01 1.70676507e+01 17 1.54935609e+01 1.28876088e+01 3.57486704e-01 18 1.41361467e+01 6.52931352e+00 -6.66745694e+00 19 1.62019043e+00 -3.17838231e+01 1.27901971e+01 20 -3.91524179e+01 -9.00201680e+00 6.51149157e-01 21 1.37269615e+01 9.88045566e+00 6.46206254e+00 22 -3.27408317e+01 -4.07467487e+01 -8.31040393e+00 23 4.24322288e+01 2.20637516e+01 2.58429141e+01 24 -4.15243882e+01 -2.31007576e+01 -1.37351120e+01 25 2.93975941e+01 1.74425640e+00 2.04524488e+01 26 5.75430704e+00 3.97169201e+01 -4.44367506e+01 27 4.44315215e+01 4.47123732e+00 3.71188987e+01 28 -4.75503348e+01 3.21265797e+01 1.88782394e+01 29 8.02804529e+01 3.14536913e+00 1.87254815e+01 30 3.08231639e+01 2.05315785e+00 -1.04457574e+01 31 -1.15188263e+01 -5.49218630e-01 2.39842950e+00 32 -4.50942429e+01 -3.23193791e+00 -1.69014207e+01 MIXED STRUCTURE (pbc=True)-- Species = Al O (Configuration in file "config-T-AlO.xyz") ----------------------------------------------------------------------------------------------------- Energy = -630.424753260898 Forces: 1 3.23812365e+01 6.92912750e+00 -1.44004611e+01 2 -5.20344350e+00 -4.19797438e+01 -2.98971618e+00 3 3.37487071e+01 -2.96046126e+01 -2.88265395e+00 4 -6.70707240e+01 4.63328707e+01 1.64720810e+01 5 -4.06645695e+01 -5.04929698e+00 -3.02152332e-01 6 1.74271359e+01 -2.24823065e+01 5.19099054e+00 7 -2.42179984e+00 3.92147246e+00 -6.21688060e+01 8 -4.98855128e+01 2.94944719e+00 1.73454831e+01 9 7.34344489e+01 -1.38675042e+01 -2.26390422e+01 10 -3.38304151e+01 4.56095536e+01 4.63218728e+01 11 -2.30510441e+01 9.89362651e+00 4.21948620e+01 12 4.60183475e+01 3.05695527e+01 1.85550796e+01 13 1.34285628e+02 3.79613685e+00 -3.49163951e+00 14 -8.07217628e+00 2.32195404e+01 -1.75575819e+01 15 -2.51388579e+01 4.31350783e+00 2.69407961e+01 16 -3.18910781e+01 2.36387358e+00 2.65366068e+01 17 8.46489782e+00 -3.42911538e+01 9.64056183e+00 18 1.81890426e+01 -7.26533750e+00 -2.12624308e+00 19 2.46767476e+01 2.11589794e+01 6.00121704e+00 20 -6.74188491e+01 2.75982807e+01 -1.75944426e+01 21 -2.57843694e+00 3.15197426e+01 2.62973042e+00 22 -8.96876795e+00 -4.40517495e+01 -1.06336205e+01 23 -1.27044948e+01 3.27036657e+01 4.37178228e+01 24 -4.58450935e+01 -1.13025337e+01 -1.86561027e+01 25 4.78358668e+01 1.95560901e+01 1.65776171e+01 26 -9.42458870e+00 -1.22116553e+01 -4.53092232e+01 27 1.54611951e+01 -2.01431101e+01 -4.61726859e+01 28 -6.27848431e+01 -2.43761904e+01 2.03554761e+01 29 6.52882549e+01 -1.56843009e+01 1.19674495e+01 30 4.79437583e+00 -5.82550093e+01 -2.35032645e+01 31 1.75604849e+01 1.21233716e+01 -4.56055001e+00 32 -4.26116746e+01 1.60056650e+01 -1.54594611e+01 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed. === Verification check vc-memory-leak end (2022-11-29 19:09:13) ===