!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_000 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 = 167.66290692518734 Forces: 1 -1.41311321e+01 -1.80457953e+01 -2.30642259e+01 2 -1.63482442e+01 3.28244561e+01 -2.25002721e+01 3 -7.89078965e+00 -2.05021105e+01 2.26097660e+01 4 -1.61391736e+01 1.36123587e+01 1.18162237e+01 5 3.92520828e+01 -3.27076880e+01 -1.17020825e+01 6 7.29204413e+00 2.74509572e+00 -1.49546979e+01 7 9.02730195e+00 -5.65852629e+01 -5.34559462e+01 8 -4.08025978e+01 -3.48980161e+01 -1.87987492e+01 9 -1.98026128e+01 -1.67161513e+01 -3.64135974e+01 10 -9.05985753e+00 3.67484979e+01 -3.85154559e+01 11 -1.20055823e+01 -3.07156820e+01 2.00292492e+01 12 -2.18895016e+01 2.60887401e+01 1.46574005e+01 13 -7.76058211e+00 -2.45475229e+01 -7.47922023e+01 14 1.45964623e+01 1.50814716e+01 -9.52799112e+00 15 7.66589051e+01 -7.16326987e-02 -5.22325222e+00 16 1.06495591e+01 5.45717017e+01 2.93222486e+01 17 -2.84310789e+01 -2.22207746e+01 -1.34797754e+01 18 1.42534171e+01 1.75601382e+01 -1.24694742e+01 19 8.23870674e+00 -2.87951804e+01 1.74205657e+01 20 -1.47659146e+01 1.30817490e+01 1.95037363e+01 21 -2.32957669e+01 -2.52295183e+01 1.80618778e+01 22 5.17674960e+01 3.73063860e+01 4.18351990e+01 23 6.03201941e+00 -3.84247580e+00 1.68041420e+01 24 8.85905374e+00 9.06943114e+00 1.50104638e+01 25 -2.16851325e+01 -6.71856634e+00 -2.83710996e+00 26 -6.11321884e+00 2.94945439e+01 -1.44975324e+01 27 2.84866622e+01 -5.69739716e+01 2.57433797e+01 28 -5.43291321e+01 4.51503030e+01 8.85685654e+00 29 -3.48109320e+01 6.32392693e+00 2.00536748e+01 30 2.41028973e+01 2.80229761e+01 -2.30351866e+00 31 3.47314290e+01 -1.17637596e+01 4.47519543e+01 32 1.53132125e+01 2.26523321e+01 2.80591455e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 167.66290692518734 Forces: 1 -1.41311321e+01 -1.80457953e+01 -2.30642259e+01 2 -1.63482442e+01 3.28244561e+01 -2.25002721e+01 3 -7.89078965e+00 -2.05021105e+01 2.26097660e+01 4 -1.61391736e+01 1.36123587e+01 1.18162237e+01 5 3.92520828e+01 -3.27076880e+01 -1.17020825e+01 6 7.29204413e+00 2.74509572e+00 -1.49546979e+01 7 9.02730195e+00 -5.65852629e+01 -5.34559462e+01 8 -4.08025978e+01 -3.48980161e+01 -1.87987492e+01 9 -1.98026128e+01 -1.67161513e+01 -3.64135974e+01 10 -9.05985753e+00 3.67484979e+01 -3.85154559e+01 11 -1.20055823e+01 -3.07156820e+01 2.00292492e+01 12 -2.18895016e+01 2.60887401e+01 1.46574005e+01 13 -7.76058211e+00 -2.45475229e+01 -7.47922023e+01 14 1.45964623e+01 1.50814716e+01 -9.52799112e+00 15 7.66589051e+01 -7.16326987e-02 -5.22325222e+00 16 1.06495591e+01 5.45717017e+01 2.93222486e+01 17 -2.84310789e+01 -2.22207746e+01 -1.34797754e+01 18 1.42534171e+01 1.75601382e+01 -1.24694742e+01 19 8.23870674e+00 -2.87951804e+01 1.74205657e+01 20 -1.47659146e+01 1.30817490e+01 1.95037363e+01 21 -2.32957669e+01 -2.52295183e+01 1.80618778e+01 22 5.17674960e+01 3.73063860e+01 4.18351990e+01 23 6.03201941e+00 -3.84247580e+00 1.68041420e+01 24 8.85905374e+00 9.06943114e+00 1.50104638e+01 25 -2.16851325e+01 -6.71856634e+00 -2.83710996e+00 26 -6.11321884e+00 2.94945439e+01 -1.44975324e+01 27 2.84866622e+01 -5.69739716e+01 2.57433797e+01 28 -5.43291321e+01 4.51503030e+01 8.85685654e+00 29 -3.48109320e+01 6.32392693e+00 2.00536748e+01 30 2.41028973e+01 2.80229761e+01 -2.30351866e+00 31 3.47314290e+01 -1.17637596e+01 4.47519543e+01 32 1.53132125e+01 2.26523321e+01 2.80591455e+01 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.