Enter a model name: === Verification check vc-memory-leak start (2022-11-29 20:36:30) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimLee_2008_CuZr__MO_407917731909_000 Supported species : Cu Zr random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.489464797212329 Forces: 1 -7.64672310e-01 -7.04805227e+00 -7.91470923e+00 2 -7.17519644e+00 9.14457649e+00 -3.06775359e+00 3 5.26928171e+00 -2.66189477e+00 -1.87162844e+00 4 -4.52445075e+00 5.19227916e+00 5.40281859e+00 5 4.90766500e+00 -1.39717829e+01 -1.64898193e+00 6 4.30146216e+00 4.86743093e+00 -3.55772799e+00 7 1.09045144e+01 -2.11234298e+01 -2.42635067e+01 8 -1.90806122e+01 -4.96813743e+00 -4.29260367e+00 9 -1.05358526e+01 -5.63991846e+00 -1.29721217e+01 10 -7.29680362e+00 1.98156100e+01 -1.75188960e+01 11 -3.69534408e+00 -1.60137867e+01 1.50306362e+01 12 -7.32928082e+00 1.13090323e+01 3.10946703e+00 13 -2.52831475e+00 -1.13722566e+01 -3.46467268e+01 14 4.83568058e+00 7.40917349e+00 -5.08466300e+00 15 3.14294822e+01 -9.42793973e+00 1.04661272e+01 16 5.20587896e+00 2.15611981e+01 1.14651712e+01 17 -1.18275084e+01 -6.97734314e+00 -5.09173967e+00 18 -3.35318015e+00 1.28091857e+01 -2.22737205e+01 19 3.01982716e+00 -1.63744280e+01 1.09497464e+01 20 -6.74440149e+00 7.57427093e+00 7.87930024e+00 21 -1.96108060e+01 -1.28348305e+01 1.25866419e+01 22 2.08180456e+01 1.75147063e+01 1.35985168e+01 23 5.69001778e+00 -1.01545263e+00 6.55565639e+00 24 1.40463953e+01 3.74185629e+00 1.34524971e+01 25 -3.30782840e+00 -7.93495793e+00 -7.48911036e-01 26 -3.40246093e+00 9.30939108e+00 -9.78513811e+00 27 1.39011187e+01 -2.66479780e+01 5.50529900e+00 28 -2.83710751e+01 2.41522874e+01 1.05500602e+01 29 -7.78172821e+00 -6.79181572e+00 4.71148402e+00 30 6.21573266e+00 9.24982700e+00 3.23427008e+00 31 1.04769508e+01 -6.21671189e+00 6.37474355e+00 32 6.30746338e+00 1.33698912e+01 1.38663924e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.489464797212329 Forces: 1 -7.64672310e-01 -7.04805227e+00 -7.91470923e+00 2 -7.17519644e+00 9.14457649e+00 -3.06775359e+00 3 5.26928171e+00 -2.66189477e+00 -1.87162844e+00 4 -4.52445075e+00 5.19227916e+00 5.40281859e+00 5 4.90766500e+00 -1.39717829e+01 -1.64898193e+00 6 4.30146216e+00 4.86743093e+00 -3.55772799e+00 7 1.09045144e+01 -2.11234298e+01 -2.42635067e+01 8 -1.90806122e+01 -4.96813743e+00 -4.29260367e+00 9 -1.05358526e+01 -5.63991846e+00 -1.29721217e+01 10 -7.29680362e+00 1.98156100e+01 -1.75188960e+01 11 -3.69534408e+00 -1.60137867e+01 1.50306362e+01 12 -7.32928082e+00 1.13090323e+01 3.10946703e+00 13 -2.52831475e+00 -1.13722566e+01 -3.46467268e+01 14 4.83568058e+00 7.40917349e+00 -5.08466300e+00 15 3.14294822e+01 -9.42793973e+00 1.04661272e+01 16 5.20587896e+00 2.15611981e+01 1.14651712e+01 17 -1.18275084e+01 -6.97734314e+00 -5.09173967e+00 18 -3.35318015e+00 1.28091857e+01 -2.22737205e+01 19 3.01982716e+00 -1.63744280e+01 1.09497464e+01 20 -6.74440149e+00 7.57427093e+00 7.87930024e+00 21 -1.96108060e+01 -1.28348305e+01 1.25866419e+01 22 2.08180456e+01 1.75147063e+01 1.35985168e+01 23 5.69001778e+00 -1.01545263e+00 6.55565639e+00 24 1.40463953e+01 3.74185629e+00 1.34524971e+01 25 -3.30782840e+00 -7.93495793e+00 -7.48911036e-01 26 -3.40246093e+00 9.30939108e+00 -9.78513811e+00 27 1.39011187e+01 -2.66479780e+01 5.50529900e+00 28 -2.83710751e+01 2.41522874e+01 1.05500602e+01 29 -7.78172821e+00 -6.79181572e+00 4.71148402e+00 30 6.21573266e+00 9.24982700e+00 3.23427008e+00 31 1.04769508e+01 -6.21671189e+00 6.37474355e+00 32 6.30746338e+00 1.33698912e+01 1.38663924e+01 MONOATOMIC STRUCTURE (pbc=False)-- Species = Zr (Configuration in file "config-F-Zr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 224.52168216187798 Forces: 1 -8.97693310e+00 -8.33346928e+00 -1.05734049e+01 2 6.12306257e+00 4.54487991e+00 -2.83057649e+01 3 -1.58705742e+01 -2.38281947e+01 -3.07495379e+00 4 -3.27495606e+01 -6.79785720e+00 -4.64810562e+00 5 2.79910982e+00 -2.52143766e+01 -2.61187651e+01 6 1.54701378e+01 -4.94183915e+00 -2.06828470e+01 7 2.25946804e+01 -1.79896486e+01 5.75411104e+00 8 6.44591575e+00 4.89328831e+00 -3.00361514e+00 9 -1.87886486e+01 -3.35390021e+00 -1.78578226e+01 10 -2.06356882e+00 3.13845321e+01 7.60166714e+00 11 -5.11101898e+00 1.92437260e+00 -1.19303478e+01 12 -1.87147461e+01 1.93245791e+01 -2.36195626e+00 13 1.07657261e+01 -2.31050898e+01 -5.42617645e+01 14 1.05254927e+01 8.96447718e+00 -6.78768220e+00 15 1.50180122e+01 1.41503348e+01 -1.71466963e+00 16 1.02707893e+01 4.00271752e+01 -2.85160285e+00 17 -2.35317439e+01 -1.90134427e+01 8.17264089e+00 18 -5.69969262e+00 -1.55949057e+01 6.69592520e+00 19 -6.81727163e+00 -1.90398949e+01 1.51463361e+01 20 -1.06238516e+01 -2.14604955e+00 1.31383162e+01 21 2.20106018e+01 -2.22942004e+01 7.80625663e+00 22 2.18924593e+01 -8.79766949e+00 1.19201509e+01 23 5.41734388e+00 -4.18169926e+00 5.28677611e+00 24 1.98573558e+01 -8.21501162e+00 2.50240310e+01 25 -2.98090768e+01 7.15139080e+00 7.21947121e+00 26 -1.18710656e+01 2.91519714e+01 1.85450526e+01 27 -1.19037466e+01 1.24236520e+01 2.94090749e+01 28 -6.49665444e+00 1.08853309e+01 7.54848407e+00 29 1.64081667e+01 4.55975715e+00 1.50004059e+00 30 1.19905473e+01 1.43008843e+01 -6.88267168e+00 31 1.02226465e+01 -5.75412683e+00 1.77984517e+01 32 1.21610558e+00 1.49147501e+01 1.24891878e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Zr (Configuration in file "config-T-Zr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 224.52168216187798 Forces: 1 -8.97693310e+00 -8.33346928e+00 -1.05734049e+01 2 6.12306257e+00 4.54487991e+00 -2.83057649e+01 3 -1.58705742e+01 -2.38281947e+01 -3.07495379e+00 4 -3.27495606e+01 -6.79785720e+00 -4.64810562e+00 5 2.79910982e+00 -2.52143766e+01 -2.61187651e+01 6 1.54701378e+01 -4.94183915e+00 -2.06828470e+01 7 2.25946804e+01 -1.79896486e+01 5.75411104e+00 8 6.44591575e+00 4.89328831e+00 -3.00361514e+00 9 -1.87886486e+01 -3.35390021e+00 -1.78578226e+01 10 -2.06356882e+00 3.13845321e+01 7.60166714e+00 11 -5.11101898e+00 1.92437260e+00 -1.19303478e+01 12 -1.87147461e+01 1.93245791e+01 -2.36195626e+00 13 1.07657261e+01 -2.31050898e+01 -5.42617645e+01 14 1.05254927e+01 8.96447718e+00 -6.78768220e+00 15 1.50180122e+01 1.41503348e+01 -1.71466963e+00 16 1.02707893e+01 4.00271752e+01 -2.85160285e+00 17 -2.35317439e+01 -1.90134427e+01 8.17264089e+00 18 -5.69969262e+00 -1.55949057e+01 6.69592520e+00 19 -6.81727163e+00 -1.90398949e+01 1.51463361e+01 20 -1.06238516e+01 -2.14604955e+00 1.31383162e+01 21 2.20106018e+01 -2.22942004e+01 7.80625663e+00 22 2.18924593e+01 -8.79766949e+00 1.19201509e+01 23 5.41734388e+00 -4.18169926e+00 5.28677611e+00 24 1.98573558e+01 -8.21501162e+00 2.50240310e+01 25 -2.98090768e+01 7.15139080e+00 7.21947121e+00 26 -1.18710656e+01 2.91519714e+01 1.85450526e+01 27 -1.19037466e+01 1.24236520e+01 2.94090749e+01 28 -6.49665444e+00 1.08853309e+01 7.54848407e+00 29 1.64081667e+01 4.55975715e+00 1.50004059e+00 30 1.19905473e+01 1.43008843e+01 -6.88267168e+00 31 1.02226465e+01 -5.75412683e+00 1.77984517e+01 32 1.21610558e+00 1.49147501e+01 1.24891878e+01 MIXED STRUCTURE (pbc=False)-- Species = Cu Zr (Configuration in file "config-F-CuZr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 175.27598503177055 Forces: 1 -2.32876411e+01 -1.36742259e+01 -1.68198006e+01 2 -3.29235671e+00 8.06899585e+00 -2.92724114e+01 3 8.32368708e+00 -2.85668722e+01 1.46111429e+01 4 -3.44483114e+01 1.13892527e+01 -1.69586949e+01 5 -7.73444844e-02 -2.85804039e+01 -2.34451168e+01 6 2.27096654e+01 7.17454274e+00 -2.14555643e+01 7 2.34441618e+01 -2.50027546e+01 8.42423465e+00 8 -8.28730063e-01 1.03695938e+01 2.11679608e+01 9 -2.08665041e+01 -5.34983867e-01 -1.18193353e+01 10 4.75983871e+00 1.61585364e+01 -1.10302058e+01 11 1.32310132e+01 -1.80705084e+00 -1.95864621e+00 12 -1.47866869e+01 1.29267670e+01 -8.31858020e+00 13 -1.97153947e+00 1.29893990e+01 -1.47342045e+01 14 1.17194035e+01 1.36877620e+01 -1.93397767e+01 15 1.50252363e+01 -1.84524473e+01 5.34106696e+00 16 -1.77505655e+01 1.54105228e+01 -2.28228130e+00 17 -1.22075387e+01 -2.23392515e+01 1.37694043e+01 18 1.24272971e+01 -3.04476408e-01 -9.60122729e-01 19 -1.32684831e+01 -1.99833359e+01 2.57062450e+01 20 -1.60391269e+01 -5.36667802e+00 1.76285394e+01 21 5.80617792e-01 -2.07738697e+01 -2.05523078e+01 22 2.05040284e+01 9.02241152e+00 -9.51965529e+00 23 3.06390290e+01 -2.43835487e+01 1.75094605e+01 24 -9.82553981e+00 2.17844039e+01 2.38443561e+01 25 -3.24836437e+01 -1.46422439e-01 -1.17149024e+01 26 6.19861469e+00 4.22123917e+01 2.66650647e+00 27 1.32617731e+01 -5.92492094e+00 3.24729139e+01 28 -2.02518880e+01 1.49466729e+01 1.50704022e+01 29 1.09167104e+01 -1.09557171e+01 -1.26322273e+01 30 1.49619245e+01 1.71580935e+01 5.97287838e+00 31 1.12011722e+01 -2.71134000e+00 1.01005286e+01 32 1.48172676e+00 1.62089537e+01 1.85281935e+01 MIXED STRUCTURE (pbc=True)-- Species = Cu Zr (Configuration in file "config-T-CuZr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 256.9818225557926 Forces: 1 -1.76516873e+01 -1.72402462e+01 -1.56959298e+01 2 7.53600621e+00 9.92372751e+00 -4.88049817e+00 3 1.02666693e+01 -9.25836903e+00 1.10160284e+01 4 -2.02437343e+01 1.10802372e+01 -1.84790875e+01 5 -1.15688833e+00 -1.72183426e+01 -9.57358004e+00 6 1.28374230e+01 9.37913781e+00 -2.15161513e+00 7 1.36985695e+01 -7.08192444e+00 5.03597196e+00 8 -1.77604526e+00 9.47851091e+00 2.16287599e+01 9 -5.54904206e+00 1.30051012e+00 5.70984554e+00 10 5.28478851e+00 5.53189060e+00 -8.78046987e+00 11 1.16931688e+01 -3.02241474e+00 -2.05409717e+00 12 2.47954066e+00 4.70628965e+00 -1.29121086e+00 13 -3.09212074e+00 1.42883488e+01 -8.48823275e+00 14 7.51976883e-01 8.08290351e+00 -2.12885096e+01 15 4.41081680e+00 -1.91113842e+01 9.64609525e+00 16 -2.16471742e+01 1.24627182e+00 2.45568382e+00 17 -4.15357041e-01 -1.56746239e+01 1.62199246e+01 18 1.21402058e+01 -3.75366443e-01 -3.82030073e+00 19 -1.90319531e+01 -9.79915003e+00 1.46296425e+01 20 -1.31606168e+01 -8.67154707e+00 -7.77891336e+00 21 -1.29032486e+00 -1.25123487e+01 -2.62512177e+01 22 9.19377826e+00 1.30216269e+01 -7.97241146e+00 23 2.60180184e+01 -2.03473939e+01 1.29575689e+01 24 -9.93778254e+00 2.06964460e+01 7.70990156e+00 25 -2.41963248e+01 1.81101764e+00 -8.99923579e+00 26 4.40241330e+00 2.58603452e+01 1.40386204e+00 27 1.44577420e+01 -5.87612169e+00 2.02290389e+01 28 -1.13968949e+01 2.07223077e+01 1.22277549e+01 29 1.01911861e+01 -1.06829762e+01 -1.42622649e+01 30 1.61608691e+00 4.15939236e+00 8.80667511e+00 31 -1.60873404e+00 -5.16517517e+00 -1.16951671e+00 32 5.17628979e+00 7.48420528e-01 1.32603382e+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 20:36:49) ===