Enter a model name: === Verification check vc-memory-leak start (2022-11-29 19:08:27) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004 Supported species : C random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = C (Configuration in file "config-F-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = 192.84954524394888 Forces: 1 -6.57564229e+00 -1.28580971e+01 -2.46761753e+01 2 -2.06761098e+01 2.25108520e+01 -3.10950245e+01 3 2.14971248e+01 -2.35107620e+01 -1.66732856e+01 4 -2.67254771e+01 1.25579598e+01 4.67671930e+00 5 -1.25575108e+01 -4.45426067e+01 8.46208327e+00 6 3.68087902e+01 9.37523525e+00 -1.97036872e+01 7 1.64257338e+00 -7.55855071e+01 -7.18144904e+01 8 -1.26008503e+01 -4.93088813e+01 7.07404065e+00 9 -1.52793238e+01 -2.26501476e+01 -5.90702197e+01 10 -1.63243209e+01 4.53126159e+01 -7.39546205e+01 11 -3.13534964e+01 -6.51286333e+01 -1.02253482e+01 12 -3.86832593e+01 3.69785690e+01 1.25200637e+01 13 -1.91086452e+01 -4.90607349e+00 -1.12951539e+02 14 2.43835980e+01 2.15049143e+01 -2.01118883e+01 15 1.00165885e+02 -7.21973294e+00 2.96196580e+00 16 3.26089524e+01 8.16118874e+01 5.35374496e+01 17 -3.82419303e+01 -1.25325194e+01 2.98486813e+00 18 1.72408440e+01 2.85708666e+01 -1.41298773e+01 19 1.51304345e+01 -3.37983210e+01 3.71582183e+01 20 -1.29350472e+01 1.07901880e+01 1.67908680e+01 21 -1.65198853e+01 -2.12157323e+01 1.11440736e+01 22 4.24061832e+01 6.14156948e+01 6.61278845e+01 23 6.07154084e+00 -3.63602886e+00 1.34426506e+01 24 3.96031523e-01 -1.18904422e+01 1.62350253e+01 25 -3.84796809e+01 -1.18777213e+01 5.21536333e+01 26 -1.53071248e+01 3.27911829e+01 -7.34158134e+00 27 3.23967886e+01 -7.33548396e+01 2.00285259e+01 28 -8.97638378e+01 5.96789953e+01 1.11152540e+01 29 -3.99359408e+01 -1.43821176e+01 1.74303544e+01 30 4.72680289e+01 4.53860801e+01 1.15354668e+01 31 4.04074605e+01 -9.79917431e+00 5.85434899e+01 32 3.26438478e+01 2.97122965e+01 3.78251017e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = C (Configuration in file "config-T-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = 192.84954524394888 Forces: 1 -6.57564229e+00 -1.28580971e+01 -2.46761753e+01 2 -2.06761098e+01 2.25108520e+01 -3.10950245e+01 3 2.14971248e+01 -2.35107620e+01 -1.66732856e+01 4 -2.67254771e+01 1.25579598e+01 4.67671930e+00 5 -1.25575108e+01 -4.45426067e+01 8.46208327e+00 6 3.68087902e+01 9.37523525e+00 -1.97036872e+01 7 1.64257338e+00 -7.55855071e+01 -7.18144904e+01 8 -1.26008503e+01 -4.93088813e+01 7.07404065e+00 9 -1.52793238e+01 -2.26501476e+01 -5.90702197e+01 10 -1.63243209e+01 4.53126159e+01 -7.39546205e+01 11 -3.13534964e+01 -6.51286333e+01 -1.02253482e+01 12 -3.86832593e+01 3.69785690e+01 1.25200637e+01 13 -1.91086452e+01 -4.90607349e+00 -1.12951539e+02 14 2.43835980e+01 2.15049143e+01 -2.01118883e+01 15 1.00165885e+02 -7.21973294e+00 2.96196580e+00 16 3.26089524e+01 8.16118874e+01 5.35374496e+01 17 -3.82419303e+01 -1.25325194e+01 2.98486813e+00 18 1.72408440e+01 2.85708666e+01 -1.41298773e+01 19 1.51304345e+01 -3.37983210e+01 3.71582183e+01 20 -1.29350472e+01 1.07901880e+01 1.67908680e+01 21 -1.65198853e+01 -2.12157323e+01 1.11440736e+01 22 4.24061832e+01 6.14156948e+01 6.61278845e+01 23 6.07154084e+00 -3.63602886e+00 1.34426506e+01 24 3.96031523e-01 -1.18904422e+01 1.62350253e+01 25 -3.84796809e+01 -1.18777213e+01 5.21536333e+01 26 -1.53071248e+01 3.27911829e+01 -7.34158134e+00 27 3.23967886e+01 -7.33548396e+01 2.00285259e+01 28 -8.97638378e+01 5.96789953e+01 1.11152540e+01 29 -3.99359408e+01 -1.43821176e+01 1.74303544e+01 30 4.72680289e+01 4.53860801e+01 1.15354668e+01 31 4.04074605e+01 -9.79917431e+00 5.85434899e+01 32 3.26438478e+01 2.97122965e+01 3.78251017e+01 ERROR: Unable to perform verification check. Message = [Errno 12] Cannot allocate memory === Verification check vc-memory-leak end (2022-11-29 19:08:27) ===