Enter a model name: === Verification check vc-memory-leak start (2022-11-29 18:35:20) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_000 Supported species : Cr Fe Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cr (Configuration in file "config-F-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = -29.299785523723042 Forces: 1 -1.93533035e+00 -3.03271149e+00 -3.41980840e+00 2 -2.04149034e+00 4.78845467e+00 -5.11128132e+00 3 2.41425346e+00 -2.99821763e+00 1.20789327e+00 4 -3.09075069e+00 2.10739896e+00 2.32923152e+00 5 3.35643500e+00 -7.11291302e+00 -1.58381088e+00 6 1.98739785e+00 1.06286291e+00 -3.29308737e+00 7 2.24470253e+00 -9.44705603e+00 -7.50412739e+00 8 -5.65843640e+00 -2.46802279e+00 1.13787419e+00 9 -4.29717905e+00 -3.40860810e+00 -6.74890893e+00 10 -1.26764769e-01 8.21674048e+00 -9.21879872e+00 11 -1.96379506e+00 -8.94075616e+00 3.42678071e+00 12 -5.53393548e+00 5.81469207e+00 2.16996303e+00 13 -1.39857386e+00 -3.10346460e+00 -1.21540192e+01 14 2.45423033e+00 4.08183819e+00 -2.68238910e+00 15 1.02243691e+01 -3.16236901e+00 2.18167012e+00 16 4.10072833e+00 9.34848826e+00 4.52912411e+00 17 -6.50940865e+00 -3.49932242e+00 -2.74286296e+00 18 1.36467121e+00 6.12794557e+00 -6.21593393e+00 19 2.26954273e+00 -7.95400698e+00 4.76010459e+00 20 -4.12006683e+00 4.52035678e+00 4.20273699e+00 21 -4.33062456e+00 -4.93517967e+00 1.09212137e+00 22 7.53125475e+00 7.96278966e+00 6.88814528e+00 23 1.84832930e+00 -6.01736739e-01 2.90274455e+00 24 3.16416219e+00 1.74161072e+00 4.19070898e+00 25 -3.50429025e+00 -3.05970190e+00 1.59678552e+00 26 -1.64134195e+00 7.46772531e+00 -2.46444352e+00 27 3.60961705e+00 -9.85593552e+00 5.14903061e+00 28 -9.10095044e+00 7.37251956e+00 2.37644739e+00 29 -2.03704350e+00 -4.77894533e+00 2.09325233e+00 30 2.91164267e+00 5.71599105e+00 1.79781614e+00 31 5.09387412e+00 -3.11598756e+00 3.38910483e+00 32 2.71477153e+00 5.14552077e+00 5.71793617e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cr (Configuration in file "config-T-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = -29.299785523723042 Forces: 1 -1.93533035e+00 -3.03271149e+00 -3.41980840e+00 2 -2.04149034e+00 4.78845467e+00 -5.11128132e+00 3 2.41425346e+00 -2.99821763e+00 1.20789327e+00 4 -3.09075069e+00 2.10739896e+00 2.32923152e+00 5 3.35643500e+00 -7.11291302e+00 -1.58381088e+00 6 1.98739785e+00 1.06286291e+00 -3.29308737e+00 7 2.24470253e+00 -9.44705603e+00 -7.50412739e+00 8 -5.65843640e+00 -2.46802279e+00 1.13787419e+00 9 -4.29717905e+00 -3.40860810e+00 -6.74890893e+00 10 -1.26764769e-01 8.21674048e+00 -9.21879872e+00 11 -1.96379506e+00 -8.94075616e+00 3.42678071e+00 12 -5.53393548e+00 5.81469207e+00 2.16996303e+00 13 -1.39857386e+00 -3.10346460e+00 -1.21540192e+01 14 2.45423033e+00 4.08183819e+00 -2.68238910e+00 15 1.02243691e+01 -3.16236901e+00 2.18167012e+00 16 4.10072833e+00 9.34848826e+00 4.52912411e+00 17 -6.50940865e+00 -3.49932242e+00 -2.74286296e+00 18 1.36467121e+00 6.12794557e+00 -6.21593393e+00 19 2.26954273e+00 -7.95400698e+00 4.76010459e+00 20 -4.12006683e+00 4.52035678e+00 4.20273699e+00 21 -4.33062456e+00 -4.93517967e+00 1.09212137e+00 22 7.53125475e+00 7.96278966e+00 6.88814528e+00 23 1.84832930e+00 -6.01736739e-01 2.90274455e+00 24 3.16416219e+00 1.74161072e+00 4.19070898e+00 25 -3.50429025e+00 -3.05970190e+00 1.59678552e+00 26 -1.64134195e+00 7.46772531e+00 -2.46444352e+00 27 3.60961705e+00 -9.85593552e+00 5.14903061e+00 28 -9.10095044e+00 7.37251956e+00 2.37644739e+00 29 -2.03704350e+00 -4.77894533e+00 2.09325233e+00 30 2.91164267e+00 5.71599105e+00 1.79781614e+00 31 5.09387412e+00 -3.11598756e+00 3.38910483e+00 32 2.71477153e+00 5.14552077e+00 5.71793617e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -13.699260919010479 Forces: 1 -2.65140768e+00 -6.86102943e+00 -2.17946839e+00 2 1.04961630e+01 -1.94755901e+00 -1.31644894e+01 3 -2.58582687e+01 -1.60633748e+01 -2.00525508e+01 4 -1.07352468e+01 -2.33141511e+00 1.46041182e+01 5 -1.07226945e+00 -1.04173387e+01 -1.63219504e+01 6 6.41912198e+00 -2.77948005e+01 -4.50581190e+01 7 7.38971177e+00 -6.59166700e+00 3.90989955e+00 8 -1.29462725e-01 1.60628189e+01 4.55759044e+00 9 -8.17127867e+00 7.63942568e+00 -8.68210539e+00 10 -1.27479122e+00 6.38945816e+00 -6.41111446e+00 11 3.21877452e+00 -4.53391319e+00 3.92507663e+00 12 -6.19519677e+00 5.10367697e+00 2.21377078e+00 13 1.32044781e+00 -1.98229395e+00 -5.39899605e+00 14 7.93421962e-01 1.87116115e+00 -4.48293828e-01 15 4.80924807e+00 3.34060527e+01 3.69631712e+01 16 5.61319278e+00 6.20499893e+00 -2.07487232e+00 17 -8.14619430e+00 -4.02026401e+01 -2.92637910e+01 18 1.04097304e+01 6.24410770e+00 -3.86106054e+00 19 -1.83799027e-01 -9.15242235e-01 2.44362561e+00 20 -6.52105181e+00 3.00595766e+01 3.76548473e+01 21 2.20273661e+01 -2.38293046e+00 2.56330663e+01 22 8.32110103e+00 -2.29090287e+00 -6.96612179e-01 23 2.88579347e-01 -1.82797420e+00 1.42109917e+00 24 -1.05690051e+01 -1.01773197e+01 4.25056589e+00 25 -9.20039715e+00 1.49322707e+00 -5.54897823e+00 26 3.53749816e+00 4.77106393e+00 -2.15946045e+00 27 7.34940728e+00 -1.07826282e+00 8.65543056e+00 28 -6.88460366e+00 5.17395949e+00 5.68093692e+00 29 -1.08369462e+01 -4.57727229e+00 4.23626110e-01 30 1.27742074e+01 6.91302864e+00 -8.46555981e+00 31 1.04161966e+01 4.05533354e+00 8.22382267e+00 32 -6.75424901e+00 6.58804690e+00 9.22677490e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -13.699260919010479 Forces: 1 -2.65140768e+00 -6.86102943e+00 -2.17946839e+00 2 1.04961630e+01 -1.94755901e+00 -1.31644894e+01 3 -2.58582687e+01 -1.60633748e+01 -2.00525508e+01 4 -1.07352468e+01 -2.33141511e+00 1.46041182e+01 5 -1.07226945e+00 -1.04173387e+01 -1.63219504e+01 6 6.41912198e+00 -2.77948005e+01 -4.50581190e+01 7 7.38971177e+00 -6.59166700e+00 3.90989955e+00 8 -1.29462725e-01 1.60628189e+01 4.55759044e+00 9 -8.17127867e+00 7.63942568e+00 -8.68210539e+00 10 -1.27479122e+00 6.38945816e+00 -6.41111446e+00 11 3.21877452e+00 -4.53391319e+00 3.92507663e+00 12 -6.19519677e+00 5.10367697e+00 2.21377078e+00 13 1.32044781e+00 -1.98229395e+00 -5.39899605e+00 14 7.93421962e-01 1.87116115e+00 -4.48293828e-01 15 4.80924807e+00 3.34060527e+01 3.69631712e+01 16 5.61319278e+00 6.20499893e+00 -2.07487232e+00 17 -8.14619430e+00 -4.02026401e+01 -2.92637910e+01 18 1.04097304e+01 6.24410770e+00 -3.86106054e+00 19 -1.83799027e-01 -9.15242235e-01 2.44362561e+00 20 -6.52105181e+00 3.00595766e+01 3.76548473e+01 21 2.20273661e+01 -2.38293046e+00 2.56330663e+01 22 8.32110103e+00 -2.29090287e+00 -6.96612179e-01 23 2.88579347e-01 -1.82797420e+00 1.42109917e+00 24 -1.05690051e+01 -1.01773197e+01 4.25056589e+00 25 -9.20039715e+00 1.49322707e+00 -5.54897823e+00 26 3.53749816e+00 4.77106393e+00 -2.15946045e+00 27 7.34940728e+00 -1.07826282e+00 8.65543056e+00 28 -6.88460366e+00 5.17395949e+00 5.68093692e+00 29 -1.08369462e+01 -4.57727229e+00 4.23626110e-01 30 1.27742074e+01 6.91302864e+00 -8.46555981e+00 31 1.04161966e+01 4.05533354e+00 8.22382267e+00 32 -6.75424901e+00 6.58804690e+00 9.22677490e+00 MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -34.183470751806816 Forces: 1 -7.02531386e-01 -1.38197068e+00 -1.23527539e+00 2 -8.50192334e+00 -1.09240105e+00 -1.21135311e+01 3 -6.63612486e+00 -1.06057381e+01 -9.24807294e+00 4 -3.61421468e+00 -5.79509808e+00 7.29288007e+00 5 -3.53991808e+00 -5.27029591e+00 -7.47556549e+00 6 7.87153069e+00 -3.07758334e+00 -3.57291809e+00 7 1.20310910e+01 -7.87396368e+00 1.39922668e+00 8 2.74605000e+00 9.85080854e+00 -2.22438187e+00 9 -1.83090368e+00 4.59017957e+00 -9.77488721e+00 10 8.84196942e-01 4.56767035e+00 -5.15833046e+00 11 -8.77133748e+00 -9.08070664e+00 4.39736500e+00 12 -1.83259520e+01 1.26027468e+01 -1.72890765e+01 13 -8.56623863e+00 3.75473203e-01 -1.37194924e+01 14 5.34444733e+00 7.05441794e+00 -2.04944716e+00 15 2.26693090e+01 -1.50434443e+01 -2.67910605e+01 16 5.69085525e+00 1.54336703e+01 -9.51197009e+00 17 -8.41372876e+00 -2.87870521e+00 -9.94705601e-01 18 -2.22183100e+00 1.05939505e+01 -1.45805586e-01 19 2.25602726e+00 -3.38359775e+00 5.47836405e+00 20 -6.43423632e+00 -3.52304090e+00 4.50076631e+00 21 -7.13850427e+00 -2.39831308e+01 1.03071976e+01 22 2.69796224e+01 6.15466802e+00 -7.06923944e+00 23 1.00219816e+01 -1.21974584e+01 6.39001477e+00 24 -2.30267211e+01 1.76500906e+00 1.43100922e+01 25 -1.48284555e+01 -1.35009912e+01 -2.46922437e+00 26 1.95691964e+01 7.08830484e+00 1.37538326e+01 27 2.35783204e+01 -2.26878956e+01 9.93925205e+00 28 -2.42946764e+01 2.32778197e+01 8.92008877e+00 29 -2.75504848e+01 -8.78520336e+00 7.46213804e+00 30 1.69022922e+01 2.89947157e+01 2.07787504e+01 31 2.15522180e+01 8.83618268e+00 1.08268093e+01 32 -3.69935625e+00 8.97560790e+00 5.08620658e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -34.183470751806816 Forces: 1 -7.02531386e-01 -1.38197068e+00 -1.23527539e+00 2 -8.50192334e+00 -1.09240105e+00 -1.21135311e+01 3 -6.63612486e+00 -1.06057381e+01 -9.24807294e+00 4 -3.61421468e+00 -5.79509808e+00 7.29288007e+00 5 -3.53991808e+00 -5.27029591e+00 -7.47556549e+00 6 7.87153069e+00 -3.07758334e+00 -3.57291809e+00 7 1.20310910e+01 -7.87396368e+00 1.39922668e+00 8 2.74605000e+00 9.85080854e+00 -2.22438187e+00 9 -1.83090368e+00 4.59017957e+00 -9.77488721e+00 10 8.84196942e-01 4.56767035e+00 -5.15833046e+00 11 -8.77133748e+00 -9.08070664e+00 4.39736500e+00 12 -1.83259520e+01 1.26027468e+01 -1.72890765e+01 13 -8.56623863e+00 3.75473203e-01 -1.37194924e+01 14 5.34444733e+00 7.05441794e+00 -2.04944716e+00 15 2.26693090e+01 -1.50434443e+01 -2.67910605e+01 16 5.69085525e+00 1.54336703e+01 -9.51197009e+00 17 -8.41372876e+00 -2.87870521e+00 -9.94705601e-01 18 -2.22183100e+00 1.05939505e+01 -1.45805586e-01 19 2.25602726e+00 -3.38359775e+00 5.47836405e+00 20 -6.43423632e+00 -3.52304090e+00 4.50076631e+00 21 -7.13850427e+00 -2.39831308e+01 1.03071976e+01 22 2.69796224e+01 6.15466802e+00 -7.06923944e+00 23 1.00219816e+01 -1.21974584e+01 6.39001477e+00 24 -2.30267211e+01 1.76500906e+00 1.43100922e+01 25 -1.48284555e+01 -1.35009912e+01 -2.46922437e+00 26 1.95691964e+01 7.08830484e+00 1.37538326e+01 27 2.35783204e+01 -2.26878956e+01 9.93925205e+00 28 -2.42946764e+01 2.32778197e+01 8.92008877e+00 29 -2.75504848e+01 -8.78520336e+00 7.46213804e+00 30 1.69022922e+01 2.89947157e+01 2.07787504e+01 31 2.15522180e+01 8.83618268e+00 1.08268093e+01 32 -3.69935625e+00 8.97560790e+00 5.08620658e+00 MIXED STRUCTURE (pbc=False)-- Species = Cr Fe Ni (Configuration in file "config-F-CrFeNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = -13.644494127170887 Forces: 1 -1.18321059e+01 -1.70929522e+01 -1.24504788e+01 2 1.23242154e+01 9.94506436e+00 -1.35466656e+01 3 6.48408193e+00 -2.57242512e+01 -1.22606689e+01 4 -2.47367406e+01 1.29062650e+01 3.42321733e+00 5 -1.18357455e+01 -1.08322894e+01 -1.68139634e+01 6 1.22766792e+01 7.51469714e-01 -9.59587735e+00 7 2.14220946e+01 -1.20284015e+01 1.09119590e+01 8 -4.31888517e+00 1.00269910e+01 9.56512210e+00 9 -5.75560394e+00 -4.63981944e+00 -5.59130986e+00 10 5.79163181e+00 5.71175097e+00 -5.85189441e+00 11 5.66225877e+00 1.00894111e+01 -5.44604006e+00 12 -4.93368058e+00 5.21616613e+00 5.44481546e+00 13 -9.86496975e+00 3.27009905e+00 -1.00089782e+01 14 1.39269580e+01 5.04623742e+00 -1.54506160e+01 15 7.88206053e+00 -8.58080294e+00 7.31999502e+00 16 -1.53802139e+01 1.01980797e+01 1.17600710e+01 17 -9.93824150e+00 -7.83724363e+00 5.25418724e+00 18 4.82337215e+00 1.58712307e+01 2.57058068e+01 19 3.55305280e-01 -4.85971000e+00 4.27012474e+00 20 -1.46377613e+01 -1.07347859e+01 4.42061879e+00 21 1.00398029e+01 -1.11796564e+01 4.35961854e+00 22 5.87296348e+00 9.52687074e+00 -9.51983682e+00 23 3.84314117e+00 -1.49029955e+01 7.69378295e+00 24 -5.69709160e+00 7.93722095e+00 4.34006387e+00 25 -8.81405615e+00 4.03019738e+00 -6.20112289e-01 26 -9.14977359e+00 8.71986992e+00 -1.34428581e+01 27 1.46471838e+01 -4.94780021e-01 8.13460254e+00 28 -8.29934615e+00 8.45360455e+00 3.85851003e+00 29 -1.17279080e+00 -1.08387645e+01 -7.67705789e+00 30 4.48745135e+00 5.56249250e+00 2.50463264e+00 31 9.75338279e+00 -2.07829430e+00 6.98379948e+00 32 6.77442325e+00 8.56172582e+00 1.23254302e+01 MIXED STRUCTURE (pbc=True)-- Species = Cr Fe Ni (Configuration in file "config-T-CrFeNi.xyz") ----------------------------------------------------------------------------------------------------- Energy = -3.7060365598581098 Forces: 1 -1.37093483e+01 -1.19925763e+01 -1.08224133e+01 2 8.34974246e+00 6.86713580e+00 -6.20880052e+00 3 4.52992679e+00 -2.07839119e+01 -1.23107731e+01 4 -2.28033257e+01 1.32661136e+01 2.82490527e+00 5 -1.01073507e+01 -6.06445765e+00 -8.69716099e+00 6 1.33775127e+01 3.18011016e-01 -3.94612544e+00 7 2.02528757e+01 -5.72692807e+00 1.04990960e+01 8 -3.16437150e+00 8.56029885e+00 8.69797168e+00 9 -4.63082362e+00 -3.34444654e+00 2.15203339e-01 10 1.23909137e+01 5.77750575e-01 1.28519018e+01 11 4.01220721e+00 9.88041541e+00 -3.79116055e+00 12 1.89299685e+00 9.00076064e-01 -1.14216177e-01 13 -5.26352992e+00 5.96590653e+00 -2.85022880e+00 14 1.36677116e+01 1.81986472e+00 -1.40239578e+01 15 3.99187741e+00 -8.56117769e+00 5.99408713e+00 16 -1.33803368e+01 4.06512949e-01 9.96790153e+00 17 -5.76774752e+00 -6.94063164e+00 4.77633838e+00 18 4.39078856e+00 1.60290616e+01 2.45086203e+01 19 -2.26351570e+00 4.28681671e+00 8.11538853e-02 20 -1.12081681e+01 -1.05509148e+01 2.98660345e+00 21 1.05683032e+01 -6.59169681e+00 3.30651955e+00 22 -1.62212592e+00 9.39118466e+00 -9.46748247e+00 23 8.28363465e+00 -1.06598614e+01 6.19477502e+00 24 -5.00192565e+00 6.04215648e+00 -6.75871070e+00 25 -5.54315704e+00 2.52255466e+00 -5.93239327e-01 26 -6.76387099e+00 2.86882311e+00 -1.12574620e+01 27 1.30122317e+01 -6.22491605e-01 5.61239975e-01 28 -2.05447219e+01 4.73632714e+00 -1.25544565e+01 29 -8.65180688e-01 -9.27007613e+00 -6.09093352e+00 30 -5.34767124e-01 4.14982993e+00 6.51565218e+00 31 8.45235055e+00 4.88665408e-01 2.28994217e+00 32 6.00119413e+00 2.03166543e+00 7.21520955e+00 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 18:36:04) ===