Enter a model name: === Verification check vc-memory-leak start (2022-12-01 11:12:20) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 Supported species : Al Co Ni 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 = 386.66536418931753 Forces: 1 -3.97235773e+01 -8.57751818e+01 -6.80406553e+01 2 -4.35927172e+01 -3.66784309e+01 -1.73216520e+02 3 -2.06322079e+01 -1.67013314e+02 -4.34418421e+01 4 -1.56138152e+02 -8.43177540e+00 2.74422630e+01 5 3.70879554e+01 -1.06633555e+02 -6.94159121e+01 6 4.91052965e+01 -9.55091893e+00 -6.71674708e+01 7 1.24742816e+02 -2.20262099e+02 -2.46436321e+02 8 1.67329335e+01 -1.26014880e+02 -4.69876062e+01 9 -7.75605331e+01 3.78065215e+01 -1.24869954e+02 10 -7.59490242e+01 2.09531142e+02 -2.46948782e+02 11 -1.81444394e+02 -7.23688905e+01 -8.52815565e+00 12 -9.59621915e+01 6.94762250e+01 -8.71971644e+00 13 5.81044632e+01 -1.90603130e+01 -3.25252389e+02 14 5.60594639e+01 5.06340318e+01 -4.69251147e+01 15 3.04335167e+02 6.13003395e+00 -3.96493894e+01 16 1.35084041e+02 3.44918323e+02 3.09304973e+01 17 -8.53153327e+01 -4.73510341e+01 3.72455429e+01 18 -8.35615059e+01 -5.03471789e+01 7.11555294e+01 19 -2.45715559e+01 -7.16119409e+01 5.45946309e+01 20 -5.10803038e+01 -1.54892123e+01 4.55241265e+01 21 -8.06726508e+01 -1.89185534e+02 1.37556461e+02 22 2.46956993e+02 1.07097881e+02 1.46437483e+02 23 4.68883483e+01 -3.09641211e+01 6.50256477e+01 24 2.05269481e+01 -5.31456399e+01 1.62576958e+02 25 -2.10118681e+02 1.79507670e+01 4.09255510e+01 26 -1.07860782e+02 2.85448459e+02 -1.02329326e+02 27 -6.91116648e+01 -1.59006600e+02 2.25739307e+02 28 -1.41099724e+02 1.01839519e+02 5.50830446e+01 29 4.32328923e+01 -2.95857248e+00 1.22040488e+02 30 9.55309697e+01 9.78054298e+01 4.35527937e+01 31 1.31742658e+02 8.76635572e+00 1.17106048e+02 32 1.78264052e+02 1.34444504e+02 2.34992784e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 386.66536418931753 Forces: 1 -3.97235773e+01 -8.57751818e+01 -6.80406553e+01 2 -4.35927172e+01 -3.66784309e+01 -1.73216520e+02 3 -2.06322079e+01 -1.67013314e+02 -4.34418421e+01 4 -1.56138152e+02 -8.43177540e+00 2.74422630e+01 5 3.70879554e+01 -1.06633555e+02 -6.94159121e+01 6 4.91052965e+01 -9.55091893e+00 -6.71674708e+01 7 1.24742816e+02 -2.20262099e+02 -2.46436321e+02 8 1.67329335e+01 -1.26014880e+02 -4.69876062e+01 9 -7.75605331e+01 3.78065215e+01 -1.24869954e+02 10 -7.59490242e+01 2.09531142e+02 -2.46948782e+02 11 -1.81444394e+02 -7.23688905e+01 -8.52815565e+00 12 -9.59621915e+01 6.94762250e+01 -8.71971644e+00 13 5.81044632e+01 -1.90603130e+01 -3.25252389e+02 14 5.60594639e+01 5.06340318e+01 -4.69251147e+01 15 3.04335167e+02 6.13003395e+00 -3.96493894e+01 16 1.35084041e+02 3.44918323e+02 3.09304973e+01 17 -8.53153327e+01 -4.73510341e+01 3.72455429e+01 18 -8.35615059e+01 -5.03471789e+01 7.11555294e+01 19 -2.45715559e+01 -7.16119409e+01 5.45946309e+01 20 -5.10803038e+01 -1.54892123e+01 4.55241265e+01 21 -8.06726508e+01 -1.89185534e+02 1.37556461e+02 22 2.46956993e+02 1.07097881e+02 1.46437483e+02 23 4.68883483e+01 -3.09641211e+01 6.50256477e+01 24 2.05269481e+01 -5.31456399e+01 1.62576958e+02 25 -2.10118681e+02 1.79507670e+01 4.09255510e+01 26 -1.07860782e+02 2.85448459e+02 -1.02329326e+02 27 -6.91116648e+01 -1.59006600e+02 2.25739307e+02 28 -1.41099724e+02 1.01839519e+02 5.50830446e+01 29 4.32328923e+01 -2.95857248e+00 1.22040488e+02 30 9.55309697e+01 9.78054298e+01 4.35527937e+01 31 1.31742658e+02 8.76635572e+00 1.17106048e+02 32 1.78264052e+02 1.34444504e+02 2.34992784e+02 MONOATOMIC STRUCTURE (pbc=False)-- Species = Co (Configuration in file "config-F-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = 76.73013568605826 Forces: 1 -2.60172682e+01 -3.28112267e+01 -3.09523263e+01 2 2.20512607e+01 2.65644604e+01 -2.49234194e+01 3 1.29236207e+01 -2.56101550e+01 2.29918644e+01 4 -2.46828962e+01 2.54497229e+01 1.46854105e+01 5 3.19263884e+00 -1.01495972e+01 -1.14916550e+01 6 1.25793373e+01 1.02155441e+01 -2.29917224e+01 7 1.11134775e+01 -1.89982144e+01 9.66648322e+00 8 -6.94843586e+00 -8.62123715e+00 1.54243604e+01 9 -4.43602241e+00 2.56743564e+00 -7.94863688e+00 10 -3.77744457e+01 2.61592527e+01 -2.74474049e+01 11 2.04684034e+01 -4.43316087e+00 -2.46258718e+01 12 -1.08655731e+01 1.18457198e+01 -2.56654854e+00 13 8.25557740e+00 -5.13288406e+01 -4.35981713e+01 14 1.79377333e+01 1.19687033e+01 -1.48278118e+01 15 1.73375138e+01 -7.90676127e+00 -1.00560213e+01 16 1.05392811e+01 4.65610383e+01 5.12396545e+01 17 -8.06671672e+00 -1.27468456e+01 1.29163513e+01 18 1.58657135e+01 -1.36151609e+01 5.21899163e+00 19 -4.27665658e+00 -4.41661153e+00 4.47956830e+00 20 -1.47304813e+01 -1.20987116e+01 7.68785014e+00 21 -9.97848315e+00 -9.14922206e+00 -1.57815976e+01 22 1.55547783e+01 -7.29142659e+00 -4.72030267e+00 23 1.52008131e+01 -9.80618547e+00 1.54667915e+01 24 -1.19182337e+01 5.89010236e+00 1.50788201e+01 25 -4.95854267e+01 -1.16586825e+01 1.63149859e+01 26 2.23101622e+01 2.84263398e+01 -1.37585523e+01 27 1.54227024e+01 -6.07430599e+00 1.99162700e+01 28 -2.35613049e+01 2.01377539e+01 1.89863140e+01 29 -1.09475343e+01 -5.53191609e+00 -6.82071935e+00 30 7.63658843e+00 2.15864060e+01 6.32033021e+00 31 1.51875833e+01 4.52932535e+00 1.65855027e+01 32 2.12293414e-01 1.03464571e+01 9.53121294e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Co (Configuration in file "config-T-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = 76.73013568605826 Forces: 1 -2.60172682e+01 -3.28112267e+01 -3.09523263e+01 2 2.20512607e+01 2.65644604e+01 -2.49234194e+01 3 1.29236207e+01 -2.56101550e+01 2.29918644e+01 4 -2.46828962e+01 2.54497229e+01 1.46854105e+01 5 3.19263884e+00 -1.01495972e+01 -1.14916550e+01 6 1.25793373e+01 1.02155441e+01 -2.29917224e+01 7 1.11134775e+01 -1.89982144e+01 9.66648322e+00 8 -6.94843586e+00 -8.62123715e+00 1.54243604e+01 9 -4.43602241e+00 2.56743564e+00 -7.94863688e+00 10 -3.77744457e+01 2.61592527e+01 -2.74474049e+01 11 2.04684034e+01 -4.43316087e+00 -2.46258718e+01 12 -1.08655731e+01 1.18457198e+01 -2.56654854e+00 13 8.25557740e+00 -5.13288406e+01 -4.35981713e+01 14 1.79377333e+01 1.19687033e+01 -1.48278118e+01 15 1.73375138e+01 -7.90676127e+00 -1.00560213e+01 16 1.05392811e+01 4.65610383e+01 5.12396545e+01 17 -8.06671672e+00 -1.27468456e+01 1.29163513e+01 18 1.58657135e+01 -1.36151609e+01 5.21899163e+00 19 -4.27665658e+00 -4.41661153e+00 4.47956830e+00 20 -1.47304813e+01 -1.20987116e+01 7.68785014e+00 21 -9.97848315e+00 -9.14922206e+00 -1.57815976e+01 22 1.55547783e+01 -7.29142659e+00 -4.72030267e+00 23 1.52008131e+01 -9.80618547e+00 1.54667915e+01 24 -1.19182337e+01 5.89010236e+00 1.50788201e+01 25 -4.95854267e+01 -1.16586825e+01 1.63149859e+01 26 2.23101622e+01 2.84263398e+01 -1.37585523e+01 27 1.54227024e+01 -6.07430599e+00 1.99162700e+01 28 -2.35613049e+01 2.01377539e+01 1.89863140e+01 29 -1.09475343e+01 -5.53191609e+00 -6.82071935e+00 30 7.63658843e+00 2.15864060e+01 6.32033021e+00 31 1.51875833e+01 4.52932535e+00 1.65855027e+01 32 2.12293414e-01 1.03464571e+01 9.53121294e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 2.5154774777826368 Forces: 1 -1.14346460e+01 -1.42167916e+01 -5.90142222e+00 2 6.56434685e+00 -1.91415375e+00 -2.75872095e+01 3 4.01409241e+00 -1.89934279e+01 7.94170252e+00 4 -1.54339265e+01 8.47752279e+00 6.49874360e+00 5 -7.78593513e+00 -1.38024737e+01 -1.31132459e+01 6 1.63813571e+01 4.47011634e+00 -1.68598859e+01 7 1.79051889e+01 -1.15225287e+01 8.36078758e+00 8 -2.82371555e+00 5.17343125e+00 1.37209525e+01 9 -1.79169356e+01 8.78167742e-01 -9.17626022e+00 10 3.80762525e+00 1.63525230e+01 -1.06330691e+01 11 -1.92238075e-01 -2.32043648e+00 6.54085140e+00 12 -4.45483844e+00 6.14575086e+00 3.99933849e+00 13 2.63182874e+00 3.19297314e+00 -1.82678568e+01 14 5.29260563e+00 6.26604798e+00 -9.65974659e+00 15 1.91299682e+01 -6.55534731e+00 -5.75551228e+00 16 -4.96023897e+00 1.93700964e+01 -4.03214186e+00 17 -1.16402220e+01 -1.98393208e+01 2.01676034e+00 18 1.02722339e+01 -1.20154978e+00 -8.25364469e+00 19 -7.24806629e+00 -1.61028224e+01 1.22461697e+01 20 -1.33506026e+01 -1.42818976e+00 2.09698533e+01 21 -6.69245722e+00 -1.22810589e+01 -1.48423522e+01 22 4.27988504e+00 -4.41111852e+00 -8.62154879e+00 23 2.01475136e+01 -1.37372845e+01 1.33075872e+01 24 -8.00785532e+00 1.16491005e+01 1.08428162e+01 25 -1.76517771e+01 3.33675606e+00 -1.56461481e+01 26 -4.67568996e+00 1.81757574e+01 -9.02406343e+00 27 9.71272928e+00 -8.34616626e+00 1.86640614e+01 28 -1.11923827e+01 1.83806499e+01 1.18112137e+01 29 -4.40353241e+00 -9.42429413e+00 5.08117879e-01 30 1.30120022e+01 1.93929064e+01 4.95451399e+00 31 6.65384168e+00 3.77627072e+00 1.64263838e+01 32 1.00598409e+01 1.10588938e+01 1.85642540e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = 2.5154774777826368 Forces: 1 -1.14346460e+01 -1.42167916e+01 -5.90142222e+00 2 6.56434685e+00 -1.91415375e+00 -2.75872095e+01 3 4.01409241e+00 -1.89934279e+01 7.94170252e+00 4 -1.54339265e+01 8.47752279e+00 6.49874360e+00 5 -7.78593513e+00 -1.38024737e+01 -1.31132459e+01 6 1.63813571e+01 4.47011634e+00 -1.68598859e+01 7 1.79051889e+01 -1.15225287e+01 8.36078758e+00 8 -2.82371555e+00 5.17343125e+00 1.37209525e+01 9 -1.79169356e+01 8.78167742e-01 -9.17626022e+00 10 3.80762525e+00 1.63525230e+01 -1.06330691e+01 11 -1.92238075e-01 -2.32043648e+00 6.54085140e+00 12 -4.45483844e+00 6.14575086e+00 3.99933849e+00 13 2.63182874e+00 3.19297314e+00 -1.82678568e+01 14 5.29260563e+00 6.26604798e+00 -9.65974659e+00 15 1.91299682e+01 -6.55534731e+00 -5.75551228e+00 16 -4.96023897e+00 1.93700964e+01 -4.03214186e+00 17 -1.16402220e+01 -1.98393208e+01 2.01676034e+00 18 1.02722339e+01 -1.20154978e+00 -8.25364469e+00 19 -7.24806629e+00 -1.61028224e+01 1.22461697e+01 20 -1.33506026e+01 -1.42818976e+00 2.09698533e+01 21 -6.69245722e+00 -1.22810589e+01 -1.48423522e+01 22 4.27988504e+00 -4.41111852e+00 -8.62154879e+00 23 2.01475136e+01 -1.37372845e+01 1.33075872e+01 24 -8.00785532e+00 1.16491005e+01 1.08428162e+01 25 -1.76517771e+01 3.33675606e+00 -1.56461481e+01 26 -4.67568996e+00 1.81757574e+01 -9.02406343e+00 27 9.71272928e+00 -8.34616626e+00 1.86640614e+01 28 -1.11923827e+01 1.83806499e+01 1.18112137e+01 29 -4.40353241e+00 -9.42429413e+00 5.08117879e-01 30 1.30120022e+01 1.93929064e+01 4.95451399e+00 31 6.65384168e+00 3.77627072e+00 1.64263838e+01 32 1.00598409e+01 1.10588938e+01 1.85642540e+01 MIXED STRUCTURE (pbc=False)-- Species = Al Co Ni (Configuration in file "config-F-AlCoNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 130.77923434279248 Forces: 1 -2.83799423e+01 -4.03324374e+01 -3.35367602e+01 2 3.29557783e+01 2.28905601e+01 -4.14636750e+01 3 3.72314735e+01 -4.34833183e+01 2.92382867e+00 4 -6.04148105e+01 5.16700243e+01 1.52906222e+01 5 -1.44714856e+01 -3.18435826e+00 -1.76310302e+00 6 1.09017882e+01 -5.12107826e+00 -1.18470736e+01 7 2.03344269e+00 -7.53534493e+00 1.34037528e+01 8 3.57593421e+01 -6.77726859e+00 -7.42628974e+00 9 -2.74784437e+01 -1.53092774e+01 -1.48366797e+01 10 1.67680681e+00 1.25191163e+01 -2.14726884e+01 11 1.33416998e+01 1.47137683e+01 1.49733365e+01 12 -1.35151042e+01 1.37639630e+01 9.95623727e+00 13 -2.32760721e+01 -2.33145764e+01 -4.78919432e+01 14 4.48865647e+01 2.48241373e+01 -5.02850896e+01 15 8.51145344e+01 -9.21426136e+01 4.75956921e+00 16 -1.21056049e+02 1.21040272e+02 4.89344016e+01 17 -1.09796552e+01 -1.63181223e+01 1.01960814e+01 18 -9.24612689e+00 1.28671665e+01 3.12061788e+01 19 -2.06761608e+01 -1.12412459e+01 4.17009305e+01 20 -1.34279468e+01 1.05424729e+01 1.27062415e+01 21 3.68074347e+01 -1.11041354e+01 -3.92614151e+01 22 2.88571968e+00 -1.64622340e+01 -1.85489704e+01 23 8.49066963e+00 -6.69054382e+00 2.81750335e+00 24 -1.43832443e+01 -1.19453475e+00 1.44339052e+01 25 -1.30731974e+01 -3.08895549e+01 -1.32817233e+01 26 -3.56550803e+01 3.88353481e+01 -5.31687268e+01 27 -9.97148644e+00 -3.42805915e+01 3.59222185e+01 28 -2.94870266e+01 2.56004032e+01 2.44959224e+01 29 5.62884758e+01 -2.66118483e+01 -3.13190811e+01 30 2.77299592e+01 3.21663748e+00 4.93595563e+01 31 1.86021060e+01 1.47003845e+01 2.77850463e+01 32 3.07860361e+01 2.48088298e+01 2.52378865e+01 MIXED STRUCTURE (pbc=True)-- Species = Al Co Ni (Configuration in file "config-T-AlCoNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 139.20466799551983 Forces: 1 -1.81535943e+01 -3.59733669e+01 -2.64936118e+01 2 3.15867792e+01 1.74407433e+01 -3.87123822e+01 3 3.06076102e+01 -3.79489375e+01 -1.84186316e+00 4 -4.81217418e+01 3.79919093e+01 1.82724266e+01 5 -1.56445001e+01 9.95869446e+00 -1.39095495e+01 6 4.13680805e+00 -5.20945085e-01 -7.53016169e+00 7 9.37993420e+00 1.08481776e+01 1.76779010e+01 8 3.73331976e+01 -2.31600924e+00 -7.84137923e+00 9 -1.51038503e+01 -1.85967685e+01 -2.20866375e+01 10 3.54317541e+00 1.77821570e+01 -2.75153830e+01 11 7.37425146e+00 1.85806000e+01 1.53683072e+01 12 -8.55352840e+00 4.44858836e+00 1.34000022e+01 13 -2.39327387e+01 -2.40180918e+01 -5.26452119e+01 14 4.44306618e+01 2.07516028e+01 -6.18266677e+01 15 8.72445209e+01 -9.83981686e+01 2.90836611e+00 16 -1.39166232e+02 9.37846522e+01 6.19898404e+01 17 -9.46169594e+00 -9.89664760e+00 2.04060912e+01 18 -2.15703241e+01 7.53264190e+00 4.09834126e+01 19 -3.60982385e+01 1.57214934e+01 4.11687025e+01 20 -3.06889165e+00 1.35804097e+01 9.71905785e-01 21 3.79422240e+01 3.94359995e+00 -4.21261277e+01 22 5.64521911e+00 -2.04329139e+01 -2.39653890e+01 23 1.88693864e+00 -6.32847156e+00 -2.38797143e+00 24 -1.03138758e+01 -4.21326892e+00 1.53626465e+01 25 4.63154009e+00 -2.26561884e+01 -4.48805904e+00 26 -5.06530207e+01 2.63374840e+01 -4.67266167e+01 27 -1.54971348e+01 -2.51926961e+01 2.48737962e+01 28 -2.06289960e+01 1.82226917e+01 2.30397339e+01 29 5.65811421e+01 -2.58390163e+01 -2.34844009e+01 30 2.29110413e+01 9.66630542e+00 5.19047490e+01 31 1.49563873e+01 1.06308443e+01 2.27053535e+01 32 3.57769313e+01 -4.89110535e+00 3.25481777e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==253217== Memcheck, a memory error detector ==253217== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==253217== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==253217== Command: python runner2.py EAM_IMD_BrommerGaehler_2006B_AlNiCo__MO_128037485276_003 ==253217== ==253372== Warning: invalid file descriptor 255988 in syscall close() ==253372== Warning: invalid file descriptor 255989 in syscall close() ==253372== Warning: invalid file descriptor 255990 in syscall close() ==253372== Warning: invalid file descriptor 255991 in syscall close() ==253372== Use --log-fd= to select an alternative log fd. ==253372== Warning: invalid file descriptor 255992 in syscall close() ==253372== Warning: invalid file descriptor 255993 in syscall close() ==253217== ==253217== HEAP SUMMARY: ==253217== in use at exit: 2,263,887 bytes in 1,717 blocks ==253217== total heap usage: 98,276 allocs, 96,559 frees, 95,762,675 bytes allocated ==253217== ==253217== LEAK SUMMARY: ==253217== definitely lost: 0 bytes in 0 blocks ==253217== indirectly lost: 0 bytes in 0 blocks ==253217== possibly lost: 180,827 bytes in 103 blocks ==253217== still reachable: 2,083,028 bytes in 1,613 blocks ==253217== of which reachable via heuristic: ==253217== stdstring : 38 bytes in 1 blocks ==253217== suppressed: 32 bytes in 1 blocks ==253217== Rerun with --leak-check=full to see details of leaked memory ==253217== ==253217== For lists of detected and suppressed errors, rerun with: -s ==253217== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 8245 from 571) ================================================================================ To pass this verification check the number of bytes that are "definitely lost" or "indirectly lost" must be zero. NOTE that Valgrind will typically report non-zero "possibly lost" bytes due to Python's internal memory allocation and garbage collection that it does not monitor. Full Valgrind output written to auxiliary file "valgrind.out" Grade: P Comment: No memory leak detected. === Verification check vc-memory-leak end (2022-12-01 11:24:59) ===