!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 ----------------------------------------------------------------------------------------------------- Results for KIM Model : Pair_Morse_Modified_MacDonaldMacDonald_Cu__MO_034823476734_000 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -76.7302508671 Forces: 1 -3.80531316e+00 -3.38695397e+00 -5.33948275e+00 2 -9.16411883e-02 7.94441123e+00 -6.08621026e+00 3 -2.62455005e-03 -4.73310869e+00 9.63907536e+00 4 -5.07895629e+00 2.59798242e+00 2.89250905e+00 5 9.83798349e+00 -6.03591562e+00 -4.44482671e+00 6 -3.91820340e-01 3.07112307e+00 -2.27347650e+00 7 -1.12526864e+00 -5.56521168e+00 -1.51391038e+00 8 -3.99379841e+00 -2.68797020e+01 -1.55955262e+01 9 -3.71745974e+00 -9.81433189e+00 -1.23926963e+01 10 1.28667065e+00 5.71775057e+00 -5.76060499e+00 11 3.89162070e+00 -6.61606852e-01 5.35076971e+00 12 -4.57776049e+00 1.15075049e+01 6.27447976e+00 13 -3.26764802e+00 -2.38393923e+00 -1.44516383e+01 14 -1.00929972e-01 1.02289347e+00 -9.60978687e-01 15 1.70511170e+01 1.12688505e+00 1.62673972e+00 16 3.05818269e-01 8.32751063e+00 5.51569098e+00 17 -5.56125676e+00 -3.42316859e+00 -1.51685244e+00 18 2.27212298e+00 6.82680527e+00 -4.36464584e+00 19 1.07669353e+00 -5.68336434e+00 3.22305482e+00 20 -9.19736635e-01 3.97928533e+00 1.38269702e+00 21 -2.68113921e+00 -1.86904477e+00 -2.94281837e+00 22 4.19950044e+00 5.76867052e+00 2.59132317e+00 23 1.10894868e+00 -1.31350703e-01 3.44219418e+00 24 2.14068141e+00 3.50845880e+00 3.18384200e+00 25 -3.90038681e+00 -5.39920823e+00 7.28645887e+00 26 7.78400847e+00 4.90616326e+00 -1.13681741e+01 27 1.32859149e+01 -2.75115407e+01 7.15193900e+00 28 -2.48755192e+01 2.01318667e+01 2.87079668e+00 29 -9.15352948e+00 1.31044877e+01 2.03336891e+01 30 1.16445097e+00 5.07870483e+00 -1.64952369e+00 31 4.83521972e+00 -6.00567682e+00 5.88995381e+00 32 3.00403772e+00 4.86362032e+00 2.00615226e+00