!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_2004NISTretabulation_Pb__MO_988703794028_000 Supported species : Pb random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pb (Configuration in file "config-F-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 680.0180255949426 Forces: 1 -1.98883436e+01 -4.50162172e+01 -3.78430908e+01 2 -1.45779030e+01 4.40939523e+00 -4.75844778e+01 3 6.59144288e+00 -5.06674719e+01 -1.60598485e+01 4 -3.72435820e+01 2.55216638e+01 2.29399978e+01 5 8.80989401e+00 -5.28602797e+01 -2.60046860e+01 6 3.13106514e+01 4.14072753e+00 -3.73184801e+01 7 3.30887659e+01 -7.34797026e+01 -4.60541343e+01 8 -2.16363399e+01 -3.43114918e+01 4.87130991e+00 9 -4.61999688e+01 1.36226267e+00 -5.37701945e+01 10 -2.41739118e+01 7.75539859e+01 -6.06181942e+01 11 -4.68982115e+01 -3.49331109e+01 3.57537917e+01 12 -3.55759834e+01 3.77122959e+01 -6.22961188e+00 13 3.73530398e+01 -1.87857614e+01 -1.09327867e+02 14 2.55383569e+01 2.56667219e+01 -2.34973314e+01 15 8.64028844e+01 3.47366953e+00 5.66089057e+00 16 2.35365792e+01 9.07340924e+01 2.92210164e+01 17 -4.72772892e+01 -2.32095201e+01 -7.89641048e-03 18 -2.90957615e+00 2.01892269e+01 1.46550031e+01 19 6.64482730e+00 -3.78286978e+01 2.87466378e+01 20 -2.54984176e+01 1.22098053e+01 2.56201264e+01 21 -2.22511679e+01 -4.44900194e+01 1.91244489e+01 22 5.94361806e+01 4.41779334e+01 4.15827203e+01 23 2.30914333e+01 -1.39081698e+01 3.02445118e+01 24 1.95259645e+00 6.13661534e+00 3.16901797e+01 25 -5.10319892e+01 -3.28619986e+01 -1.53884072e+01 26 -1.92324225e+01 8.26117985e+01 -1.62434718e+01 27 2.06653624e+01 -6.43966006e+01 6.13614841e+01 28 -6.72057220e+01 6.25427222e+01 3.35401030e+01 29 1.58773798e+01 -4.01589883e+01 1.94475531e+01 30 3.24831833e+01 3.91956055e+01 7.82529121e+00 31 4.14827791e+01 -1.72328247e+01 3.05809850e+01 32 2.73354716e+01 4.65023330e+01 5.30816408e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pb (Configuration in file "config-T-Pb.xyz") ----------------------------------------------------------------------------------------------------- Energy = 680.0180255949426 Forces: 1 -1.98883436e+01 -4.50162172e+01 -3.78430908e+01 2 -1.45779030e+01 4.40939523e+00 -4.75844778e+01 3 6.59144288e+00 -5.06674719e+01 -1.60598485e+01 4 -3.72435820e+01 2.55216638e+01 2.29399978e+01 5 8.80989401e+00 -5.28602797e+01 -2.60046860e+01 6 3.13106514e+01 4.14072753e+00 -3.73184801e+01 7 3.30887659e+01 -7.34797026e+01 -4.60541343e+01 8 -2.16363399e+01 -3.43114918e+01 4.87130991e+00 9 -4.61999688e+01 1.36226267e+00 -5.37701945e+01 10 -2.41739118e+01 7.75539859e+01 -6.06181942e+01 11 -4.68982115e+01 -3.49331109e+01 3.57537917e+01 12 -3.55759834e+01 3.77122959e+01 -6.22961188e+00 13 3.73530398e+01 -1.87857614e+01 -1.09327867e+02 14 2.55383569e+01 2.56667219e+01 -2.34973314e+01 15 8.64028844e+01 3.47366953e+00 5.66089057e+00 16 2.35365792e+01 9.07340924e+01 2.92210164e+01 17 -4.72772892e+01 -2.32095201e+01 -7.89641048e-03 18 -2.90957615e+00 2.01892269e+01 1.46550031e+01 19 6.64482730e+00 -3.78286978e+01 2.87466378e+01 20 -2.54984176e+01 1.22098053e+01 2.56201264e+01 21 -2.22511679e+01 -4.44900194e+01 1.91244489e+01 22 5.94361806e+01 4.41779334e+01 4.15827203e+01 23 2.30914333e+01 -1.39081698e+01 3.02445118e+01 24 1.95259645e+00 6.13661534e+00 3.16901797e+01 25 -5.10319892e+01 -3.28619986e+01 -1.53884072e+01 26 -1.92324225e+01 8.26117985e+01 -1.62434718e+01 27 2.06653624e+01 -6.43966006e+01 6.13614841e+01 28 -6.72057220e+01 6.25427222e+01 3.35401030e+01 29 1.58773798e+01 -4.01589883e+01 1.94475531e+01 30 3.24831833e+01 3.91956055e+01 7.82529121e+00 31 4.14827791e+01 -1.72328247e+01 3.05809850e+01 32 2.73354716e+01 4.65023330e+01 5.30816408e+01 ERROR: Unable to perform verification check. Message = [Errno 12] Cannot allocate memory