Enter a model name: === Verification check vc-memory-leak start (2022-11-29 18:45:46) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimLeeBaskes_2006_Zr__MO_392493010449_000 Supported species : Zr random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Zr (Configuration in file "config-F-Zr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 259.03837334208185 Forces: 1 -1.09162705e+01 -1.87867648e+01 -2.31900688e+01 2 -5.44783384e+00 2.79955045e-01 -2.16287084e+01 3 8.48432945e+00 -1.71152929e+01 -6.76873089e+00 4 -1.83796603e+01 1.78038136e+01 5.04592748e+00 5 3.23052240e+00 -2.29982616e+01 -1.21734016e+01 6 1.40538037e+01 1.53467845e+00 -1.76151821e+01 7 1.62299272e+01 -3.15501782e+01 -1.84346529e+01 8 -1.39754315e+01 -1.33455311e+01 -2.85508816e+00 9 -2.31044832e+01 -2.29841347e+00 -2.30972994e+01 10 -9.46488383e+00 3.64314538e+01 -2.64133346e+01 11 -1.71717266e+01 -1.66620543e+01 1.22787499e+01 12 -2.01313150e+01 2.39223336e+01 -7.32841636e+00 13 1.17782041e+01 -1.04780224e+01 -4.52283967e+01 14 1.49341091e+01 1.49124622e+01 -1.41659870e+01 15 4.28578824e+01 -2.13395123e-01 -6.95953117e+00 16 4.20464745e+00 3.85249729e+01 1.28482409e+01 17 -2.50404497e+01 -1.60043521e+01 4.97940150e+00 18 9.30153133e-01 8.93618182e+00 -8.74494554e+00 19 -1.61819071e+00 -2.56684904e+01 2.32688753e+01 20 -1.67847675e+01 6.47023083e+00 1.62748012e+01 21 -2.86115106e+00 -1.54914563e+01 1.08938412e+01 22 3.51525473e+01 7.72599473e+00 1.01797029e+01 23 1.43079134e+01 -6.77212096e+00 1.51652967e+01 24 -1.34732993e+00 6.18658340e-01 2.44391034e+01 25 -1.83106590e+01 -1.43152636e+01 6.89543725e+00 26 -9.64462840e-01 2.55448165e+01 -7.41727144e+00 27 3.89249085e+00 -2.20437992e+01 2.49316622e+01 28 -2.82652004e+01 2.23215291e+01 1.37935253e+01 29 -8.37484127e+00 -4.37600269e+00 7.99861697e+00 30 2.32189396e+01 2.43735075e+01 8.58119867e-01 31 2.10741041e+01 -8.78477916e+00 2.94317046e+01 32 7.80908293e+00 1.75035899e+01 2.27380084e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Zr (Configuration in file "config-T-Zr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 259.03837334208185 Forces: 1 -1.09162705e+01 -1.87867648e+01 -2.31900688e+01 2 -5.44783384e+00 2.79955045e-01 -2.16287084e+01 3 8.48432945e+00 -1.71152929e+01 -6.76873089e+00 4 -1.83796603e+01 1.78038136e+01 5.04592748e+00 5 3.23052240e+00 -2.29982616e+01 -1.21734016e+01 6 1.40538037e+01 1.53467845e+00 -1.76151821e+01 7 1.62299272e+01 -3.15501782e+01 -1.84346529e+01 8 -1.39754315e+01 -1.33455311e+01 -2.85508816e+00 9 -2.31044832e+01 -2.29841347e+00 -2.30972994e+01 10 -9.46488383e+00 3.64314538e+01 -2.64133346e+01 11 -1.71717266e+01 -1.66620543e+01 1.22787499e+01 12 -2.01313150e+01 2.39223336e+01 -7.32841636e+00 13 1.17782041e+01 -1.04780224e+01 -4.52283967e+01 14 1.49341091e+01 1.49124622e+01 -1.41659870e+01 15 4.28578824e+01 -2.13395123e-01 -6.95953117e+00 16 4.20464745e+00 3.85249729e+01 1.28482409e+01 17 -2.50404497e+01 -1.60043521e+01 4.97940150e+00 18 9.30153133e-01 8.93618182e+00 -8.74494554e+00 19 -1.61819071e+00 -2.56684904e+01 2.32688753e+01 20 -1.67847675e+01 6.47023083e+00 1.62748012e+01 21 -2.86115106e+00 -1.54914563e+01 1.08938412e+01 22 3.51525473e+01 7.72599473e+00 1.01797029e+01 23 1.43079134e+01 -6.77212096e+00 1.51652967e+01 24 -1.34732993e+00 6.18658340e-01 2.44391034e+01 25 -1.83106590e+01 -1.43152636e+01 6.89543725e+00 26 -9.64462840e-01 2.55448165e+01 -7.41727144e+00 27 3.89249085e+00 -2.20437992e+01 2.49316622e+01 28 -2.82652004e+01 2.23215291e+01 1.37935253e+01 29 -8.37484127e+00 -4.37600269e+00 7.99861697e+00 30 2.32189396e+01 2.43735075e+01 8.58119867e-01 31 2.10741041e+01 -8.78477916e+00 2.94317046e+01 32 7.80908293e+00 1.75035899e+01 2.27380084e+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 18:46:08) ===