!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouJohnsonWadley_2004_Ni__MO_110256178378_005 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -25.914221828418224 Forces: 1 -3.48819532e+00 -5.94129948e+00 -6.28130315e+00 2 -8.26504674e+00 1.40156583e+01 -6.47974419e+00 3 4.69811750e+00 -5.12668803e+00 1.73345004e-02 4 -5.02689594e+00 4.93042459e+00 4.61644250e+00 5 9.48620752e+00 -1.62757593e+01 -5.92153880e-01 6 4.37036015e+00 7.55060808e-01 -5.97327594e+00 7 3.11438209e+00 -2.28370250e+01 -2.30726206e+01 8 -1.21773300e+01 -1.06572884e+01 5.10364996e+00 9 -5.22769332e+00 -6.33042411e+00 -1.03557267e+01 10 -4.36063915e+00 1.16926432e+01 -1.39452383e+01 11 -4.12856253e+00 -8.93906853e+00 4.12002784e+00 12 -5.95482455e+00 7.89676059e+00 4.59649607e+00 13 -8.90676340e+00 -7.29914083e+00 -3.42032081e+01 14 5.00381235e+00 6.88617853e+00 -4.18640808e+00 15 2.94036512e+01 -5.22968598e+00 9.57773451e+00 16 4.48543166e+00 2.31373616e+01 1.14408917e+01 17 -1.11507698e+01 -5.72405186e+00 -4.36442903e+00 18 6.53517446e+00 1.10657394e+01 -7.80397188e+00 19 6.36298877e+00 -1.11596878e+01 9.41107605e+00 20 -5.92679904e+00 6.08714636e+00 7.21975319e+00 21 -1.34280343e+01 -6.06740623e+00 1.93710570e+00 22 1.36076611e+01 2.02086260e+01 1.78283548e+01 23 5.13263248e+00 -4.82923265e-01 8.17014101e+00 24 -2.62515331e-02 -2.55231753e+00 3.55927730e+00 25 -9.95249888e+00 -6.53140782e+00 -3.13865102e+00 26 -4.26071378e+00 1.48450372e+01 -7.89420883e+00 27 1.22742811e+01 -2.62828602e+01 1.06027812e+01 28 -2.22736141e+01 2.06373861e+01 5.16922914e+00 29 -5.74848656e+00 -1.06543403e+01 3.40072399e+00 30 5.71139845e+00 1.01656201e+01 2.97743910e+00 31 1.32035059e+01 -5.23109845e+00 7.59783883e+00 32 6.91351425e+00 1.09988303e+01 1.09446425e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -25.914221828418224 Forces: 1 -3.48819532e+00 -5.94129948e+00 -6.28130315e+00 2 -8.26504674e+00 1.40156583e+01 -6.47974419e+00 3 4.69811750e+00 -5.12668803e+00 1.73345004e-02 4 -5.02689594e+00 4.93042459e+00 4.61644250e+00 5 9.48620752e+00 -1.62757593e+01 -5.92153880e-01 6 4.37036015e+00 7.55060808e-01 -5.97327594e+00 7 3.11438209e+00 -2.28370250e+01 -2.30726206e+01 8 -1.21773300e+01 -1.06572884e+01 5.10364996e+00 9 -5.22769332e+00 -6.33042411e+00 -1.03557267e+01 10 -4.36063915e+00 1.16926432e+01 -1.39452383e+01 11 -4.12856253e+00 -8.93906853e+00 4.12002784e+00 12 -5.95482455e+00 7.89676059e+00 4.59649607e+00 13 -8.90676340e+00 -7.29914083e+00 -3.42032081e+01 14 5.00381235e+00 6.88617853e+00 -4.18640808e+00 15 2.94036512e+01 -5.22968598e+00 9.57773451e+00 16 4.48543166e+00 2.31373616e+01 1.14408917e+01 17 -1.11507698e+01 -5.72405186e+00 -4.36442903e+00 18 6.53517446e+00 1.10657394e+01 -7.80397188e+00 19 6.36298877e+00 -1.11596878e+01 9.41107605e+00 20 -5.92679904e+00 6.08714636e+00 7.21975319e+00 21 -1.34280343e+01 -6.06740623e+00 1.93710570e+00 22 1.36076611e+01 2.02086260e+01 1.78283548e+01 23 5.13263248e+00 -4.82923265e-01 8.17014101e+00 24 -2.62515331e-02 -2.55231753e+00 3.55927730e+00 25 -9.95249888e+00 -6.53140782e+00 -3.13865102e+00 26 -4.26071378e+00 1.48450372e+01 -7.89420883e+00 27 1.22742811e+01 -2.62828602e+01 1.06027812e+01 28 -2.22736141e+01 2.06373861e+01 5.16922914e+00 29 -5.74848656e+00 -1.06543403e+01 3.40072399e+00 30 5.71139845e+00 1.01656201e+01 2.97743910e+00 31 1.32035059e+01 -5.23109845e+00 7.59783883e+00 32 6.91351425e+00 1.09988303e+01 1.09446425e+01 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.