!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : SW_BalamaneHaliciogluTiller_1992_Si__MO_113686039439_005 Supported species : Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 569.6284091191422 Forces: 1 -2.18824580e+01 -3.11683675e+01 -2.81089451e+01 2 -8.58578634e+00 -1.17552000e+01 -6.62197112e+01 3 -1.09328505e+01 -6.13562219e+01 -1.39573409e+01 4 -6.03996542e+01 -1.79127302e+00 -5.43306624e-01 5 6.12435521e+00 -4.55688213e+01 -3.43277970e+01 6 3.74194927e+01 -9.85130622e+00 -4.24143973e+01 7 3.80289373e+01 -6.42381682e+01 -3.00744431e+01 8 1.01368960e+00 -3.80302570e+01 -1.52874279e+00 9 -3.21556483e+01 1.40380136e+01 -5.07127868e+01 10 -2.08798294e+01 4.93764770e+01 -5.45608436e+01 11 -4.51002457e+01 -1.38522086e+00 -1.80711118e+01 12 -4.76352083e+01 4.41367289e+01 -1.43784099e+01 13 3.15198207e+00 1.00898565e+01 -1.07266370e+02 14 2.78375891e+01 2.34691564e+01 -2.46554428e+01 15 1.09330592e+02 9.09492569e+00 -1.50204389e-01 16 2.01682543e+01 9.60861397e+01 -1.68928499e+01 17 -3.93335138e+01 -2.38962367e+01 7.72868631e+00 18 -1.85627989e+01 -8.33241304e+00 2.35855526e+01 19 -3.34402928e-01 -2.72047067e+01 3.67481609e+01 20 -2.26397224e+01 3.37032148e+00 2.37552414e+01 21 5.47265092e+00 -5.64491722e+01 2.29266602e+01 22 6.77118077e+01 6.87068170e+00 2.82997253e+01 23 2.08269100e+01 -1.36727180e+01 2.63343852e+01 24 2.63172876e+00 -1.06902078e+01 5.55644156e+01 25 -7.43083368e+01 -1.23564094e+01 2.60411481e+01 26 -2.04544848e+01 7.91448953e+01 1.21116123e+01 27 -1.22450810e+01 -3.21717885e+01 6.05508046e+01 28 -5.11261098e+01 3.41090373e+01 2.62245206e+01 29 2.30040490e+01 3.06898982e+00 4.16499855e+01 30 5.15620933e+01 3.98771136e+01 5.88148854e+00 31 5.46256405e+01 -5.39134968e+00 4.86196018e+01 32 1.76663584e+01 4.25775013e+01 5.78407147e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 569.6284091191422 Forces: 1 -2.18824580e+01 -3.11683675e+01 -2.81089451e+01 2 -8.58578634e+00 -1.17552000e+01 -6.62197112e+01 3 -1.09328505e+01 -6.13562219e+01 -1.39573409e+01 4 -6.03996542e+01 -1.79127302e+00 -5.43306624e-01 5 6.12435521e+00 -4.55688213e+01 -3.43277970e+01 6 3.74194927e+01 -9.85130622e+00 -4.24143973e+01 7 3.80289373e+01 -6.42381682e+01 -3.00744431e+01 8 1.01368960e+00 -3.80302570e+01 -1.52874279e+00 9 -3.21556483e+01 1.40380136e+01 -5.07127868e+01 10 -2.08798294e+01 4.93764770e+01 -5.45608436e+01 11 -4.51002457e+01 -1.38522086e+00 -1.80711118e+01 12 -4.76352083e+01 4.41367289e+01 -1.43784099e+01 13 3.15198207e+00 1.00898565e+01 -1.07266370e+02 14 2.78375891e+01 2.34691564e+01 -2.46554428e+01 15 1.09330592e+02 9.09492569e+00 -1.50204389e-01 16 2.01682543e+01 9.60861397e+01 -1.68928499e+01 17 -3.93335138e+01 -2.38962367e+01 7.72868631e+00 18 -1.85627989e+01 -8.33241304e+00 2.35855526e+01 19 -3.34402928e-01 -2.72047067e+01 3.67481609e+01 20 -2.26397224e+01 3.37032148e+00 2.37552414e+01 21 5.47265092e+00 -5.64491722e+01 2.29266602e+01 22 6.77118077e+01 6.87068170e+00 2.82997253e+01 23 2.08269100e+01 -1.36727180e+01 2.63343852e+01 24 2.63172876e+00 -1.06902078e+01 5.55644156e+01 25 -7.43083368e+01 -1.23564094e+01 2.60411481e+01 26 -2.04544848e+01 7.91448953e+01 1.21116123e+01 27 -1.22450810e+01 -3.21717885e+01 6.05508046e+01 28 -5.11261098e+01 3.41090373e+01 2.62245206e+01 29 2.30040490e+01 3.06898982e+00 4.16499855e+01 30 5.15620933e+01 3.98771136e+01 5.88148854e+00 31 5.46256405e+01 -5.39134968e+00 4.86196018e+01 32 1.76663584e+01 4.25775013e+01 5.78407147e+01 ERROR: Unable to perform verification check. Message = [Errno 12] Cannot allocate memory