!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Mg__MO_137404467969_005 Supported species : Mg random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Mg (Configuration in file "config-F-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 424.3820197737966 Forces: 1 -1.32137522e+01 -2.38851908e+01 -2.47721982e+01 2 -2.24372323e+01 3.52747012e+01 -3.12711024e+01 3 -2.85598138e+00 -3.35757312e+01 -3.43718951e+00 4 -1.95256981e+01 1.13744044e+01 1.15849798e+01 5 3.29366806e+01 -5.22416514e+01 -1.16302235e+01 6 1.33737243e+01 2.74985420e+00 -2.07449226e+01 7 1.85036317e+01 -7.28329369e+01 -6.44937308e+01 8 -2.14860441e+01 -2.43337185e+01 -1.16599514e+01 9 -2.64768608e+01 -3.78767527e+01 -6.41147883e+01 10 -2.95324160e+00 5.39863915e+01 -5.49188822e+01 11 -8.93158846e+00 -3.69431740e+01 2.29518325e+01 12 -4.01453841e+01 5.34677966e+01 2.91207000e+01 13 -1.18602934e+01 -2.83640564e+01 -1.04232817e+02 14 2.28598023e+01 2.77940102e+01 -1.93436342e+01 15 9.32720611e+01 -1.11729295e+01 2.34475944e+01 16 1.16644819e+01 7.51060588e+01 3.38497168e+01 17 -3.19378201e+01 -1.59536338e+01 -1.13704398e+01 18 -1.56032648e+01 2.06805060e+01 1.51206730e+01 19 1.37721081e+01 -2.74764883e+01 2.14707921e+01 20 -1.53439211e+01 1.95515385e+01 1.81537464e+01 21 -2.37734515e+01 -3.36665050e+01 2.09864862e+01 22 5.16141358e+01 5.41374647e+01 5.07337110e+01 23 1.29103459e+01 -6.55055423e+00 2.06050643e+01 24 6.55058635e+00 1.64311835e+00 1.93057709e+01 25 -2.90095220e+01 -8.70025403e+00 2.03428165e+01 26 -1.83803544e+01 4.86621186e+01 -2.25015410e+01 27 2.31355764e+01 -7.56175008e+01 2.78201748e+01 28 -6.75532122e+01 5.54377485e+01 1.24511276e+01 29 -1.66720856e+01 -2.36054408e+01 1.75572433e+01 30 2.52707273e+01 3.73634695e+01 2.95892941e+00 31 4.05208987e+01 -2.28996217e+01 3.46795678e+01 32 2.17749478e+01 3.84669589e+01 4.13504939e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mg (Configuration in file "config-T-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 424.3820197737966 Forces: 1 -1.32137522e+01 -2.38851908e+01 -2.47721982e+01 2 -2.24372323e+01 3.52747012e+01 -3.12711024e+01 3 -2.85598138e+00 -3.35757312e+01 -3.43718951e+00 4 -1.95256981e+01 1.13744044e+01 1.15849798e+01 5 3.29366806e+01 -5.22416514e+01 -1.16302235e+01 6 1.33737243e+01 2.74985420e+00 -2.07449226e+01 7 1.85036317e+01 -7.28329369e+01 -6.44937308e+01 8 -2.14860441e+01 -2.43337185e+01 -1.16599514e+01 9 -2.64768608e+01 -3.78767527e+01 -6.41147883e+01 10 -2.95324160e+00 5.39863915e+01 -5.49188822e+01 11 -8.93158846e+00 -3.69431740e+01 2.29518325e+01 12 -4.01453841e+01 5.34677966e+01 2.91207000e+01 13 -1.18602934e+01 -2.83640564e+01 -1.04232817e+02 14 2.28598023e+01 2.77940102e+01 -1.93436342e+01 15 9.32720611e+01 -1.11729295e+01 2.34475944e+01 16 1.16644819e+01 7.51060588e+01 3.38497168e+01 17 -3.19378201e+01 -1.59536338e+01 -1.13704398e+01 18 -1.56032648e+01 2.06805060e+01 1.51206730e+01 19 1.37721081e+01 -2.74764883e+01 2.14707921e+01 20 -1.53439211e+01 1.95515385e+01 1.81537464e+01 21 -2.37734515e+01 -3.36665050e+01 2.09864862e+01 22 5.16141358e+01 5.41374647e+01 5.07337110e+01 23 1.29103459e+01 -6.55055423e+00 2.06050643e+01 24 6.55058635e+00 1.64311835e+00 1.93057709e+01 25 -2.90095220e+01 -8.70025403e+00 2.03428165e+01 26 -1.83803544e+01 4.86621186e+01 -2.25015410e+01 27 2.31355764e+01 -7.56175008e+01 2.78201748e+01 28 -6.75532122e+01 5.54377485e+01 1.24511276e+01 29 -1.66720856e+01 -2.36054408e+01 1.75572433e+01 30 2.52707273e+01 3.73634695e+01 2.95892941e+00 31 4.05208987e+01 -2.28996217e+01 3.46795678e+01 32 2.17749478e+01 3.84669589e+01 4.13504939e+01 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.