!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_FoilesBaskesDaw_1986Universal3_Ni__MO_580571659842_000 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 = -5.938910794681221 Forces: 1 -9.77082582e+00 -7.78105123e+00 -1.31675229e+01 2 -7.42264275e+00 1.33967886e+01 -6.77030727e+00 3 8.43413984e+00 -7.02571677e+00 9.42764391e+00 4 -6.25640956e+00 8.03161126e+00 7.58664082e+00 5 4.32796562e+00 -1.77934120e+01 -2.63590018e+00 6 1.04606579e+01 7.08269585e+00 -9.74635817e+00 7 2.93208787e+00 -3.46256235e+01 -3.17604323e+01 8 -1.65412606e+01 -1.35216624e+01 6.39596223e+00 9 -6.55508462e+00 -9.07341281e+00 -1.36827191e+01 10 -6.36341472e+00 1.50323600e+01 -1.88556538e+01 11 -4.38567351e+00 -1.12890529e+01 5.70344656e+00 12 -7.21910740e+00 1.04449953e+01 6.60449300e+00 13 -1.39016461e+01 -1.12774692e+01 -4.73306921e+01 14 6.31755277e+00 9.14785127e+00 -5.21992374e+00 15 3.99921255e+01 -7.41126545e+00 1.48526141e+01 16 7.16249595e+00 2.97624536e+01 1.74627784e+01 17 -1.18015269e+01 -7.81023783e+00 -8.79665502e+00 18 8.64698205e+00 1.40317598e+01 -1.31134845e+01 19 8.74313114e+00 -1.54294096e+01 1.29566841e+01 20 -7.69047028e+00 8.34084869e+00 9.58146150e+00 21 -1.98449181e+01 -7.78236566e+00 2.34868029e+00 22 1.87450438e+01 3.08153020e+01 2.70712006e+01 23 7.70615889e+00 -6.45649725e-01 1.17733341e+01 24 -2.43955500e-01 -2.98954316e+00 3.85059719e+00 25 -1.23762233e+01 -8.92306934e+00 -4.44060776e+00 26 -5.90763314e+00 1.87245363e+01 -1.15904919e+01 27 2.02421315e+01 -3.96140959e+01 1.33509812e+01 28 -3.33508948e+01 3.12467288e+01 6.67234752e+00 29 -8.38627757e+00 -1.37706995e+01 3.09899816e+00 30 6.62258547e+00 1.32831389e+01 3.87283738e+00 31 1.80756137e+01 -7.36853139e+00 9.98766204e+00 32 9.60929268e+00 1.47911979e+01 1.45123857e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -5.938910794681221 Forces: 1 -9.77082582e+00 -7.78105123e+00 -1.31675229e+01 2 -7.42264275e+00 1.33967886e+01 -6.77030727e+00 3 8.43413984e+00 -7.02571677e+00 9.42764391e+00 4 -6.25640956e+00 8.03161126e+00 7.58664082e+00 5 4.32796562e+00 -1.77934120e+01 -2.63590018e+00 6 1.04606579e+01 7.08269585e+00 -9.74635817e+00 7 2.93208787e+00 -3.46256235e+01 -3.17604323e+01 8 -1.65412606e+01 -1.35216624e+01 6.39596223e+00 9 -6.55508462e+00 -9.07341281e+00 -1.36827191e+01 10 -6.36341472e+00 1.50323600e+01 -1.88556538e+01 11 -4.38567351e+00 -1.12890529e+01 5.70344656e+00 12 -7.21910740e+00 1.04449953e+01 6.60449300e+00 13 -1.39016461e+01 -1.12774692e+01 -4.73306921e+01 14 6.31755277e+00 9.14785127e+00 -5.21992374e+00 15 3.99921255e+01 -7.41126545e+00 1.48526141e+01 16 7.16249595e+00 2.97624536e+01 1.74627784e+01 17 -1.18015269e+01 -7.81023783e+00 -8.79665502e+00 18 8.64698205e+00 1.40317598e+01 -1.31134845e+01 19 8.74313114e+00 -1.54294096e+01 1.29566841e+01 20 -7.69047028e+00 8.34084869e+00 9.58146150e+00 21 -1.98449181e+01 -7.78236566e+00 2.34868029e+00 22 1.87450438e+01 3.08153020e+01 2.70712006e+01 23 7.70615889e+00 -6.45649725e-01 1.17733341e+01 24 -2.43955500e-01 -2.98954316e+00 3.85059719e+00 25 -1.23762233e+01 -8.92306934e+00 -4.44060776e+00 26 -5.90763314e+00 1.87245363e+01 -1.15904919e+01 27 2.02421315e+01 -3.96140959e+01 1.33509812e+01 28 -3.33508948e+01 3.12467288e+01 6.67234752e+00 29 -8.38627757e+00 -1.37706995e+01 3.09899816e+00 30 6.62258547e+00 1.32831389e+01 3.87283738e+00 31 1.80756137e+01 -7.36853139e+00 9.98766204e+00 32 9.60929268e+00 1.47911979e+01 1.45123857e+01 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.