!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : MEAM_LAMMPS_KimShinLee_2008_Ge__MO_657096500078_000 Supported species : Ge random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ge (Configuration in file "config-F-Ge.xyz") ----------------------------------------------------------------------------------------------------- Energy = 317.8398060501431 Forces: 1 1.52683686e+01 1.15023439e+01 1.58913924e+01 2 1.55638235e+01 -1.95563581e+01 -4.57306384e+01 3 -3.44414691e+01 -5.21870185e+01 1.68305269e+01 4 -7.52260855e+01 1.49910791e+01 -3.46978278e+01 5 -6.46881509e+00 -5.15791643e+00 -1.24739721e+01 6 2.68918834e+01 -1.61101137e+01 -3.33625227e+01 7 -1.60096961e+01 5.89180325e+01 8.79876839e+01 8 -1.47560653e+01 -4.93596711e+01 4.77976850e+00 9 -1.65584016e+01 8.45166795e+00 -3.72758748e+00 10 3.31341618e+01 3.65226016e+01 1.70901528e+01 11 -4.36991893e+01 -4.23535312e+01 -1.72585896e+01 12 -3.38811632e+01 1.96206284e+01 4.64345369e+00 13 5.95568415e+01 1.01844043e+01 -6.80543826e+01 14 3.77771070e+01 1.15253022e+01 -3.37182292e+01 15 1.49942635e+01 1.97373600e+00 -1.63631143e+01 16 -8.94905556e+01 8.05806550e+01 -1.03763853e+01 17 -2.49362869e+00 -4.59298702e+01 -1.66656334e+01 18 2.77843249e+01 2.24700970e+01 -1.23639058e+01 19 -6.58992102e+00 -3.25165959e+01 2.88561243e+01 20 -2.03814683e+01 8.50772646e+00 2.40290689e+01 21 -8.76583552e+00 -5.29522051e+01 -2.90517356e+01 22 8.44576419e+01 -1.20746723e+01 -1.34601774e+01 23 7.65814036e+00 -1.05389324e+01 1.16918323e+01 24 1.08010659e+01 -5.41577116e-01 2.55068584e+01 25 -2.97090494e+01 3.19031637e+01 1.58897283e-01 26 1.95053960e+01 2.67873952e+01 -2.97904771e+01 27 2.03935664e+01 5.70170706e+00 8.26823642e+01 28 -1.84923108e+01 -8.47567333e+00 -5.69513088e+00 29 1.52521381e+01 -2.34497924e+01 7.85516035e+00 30 4.54515852e+01 8.68000220e+00 1.04316868e+01 31 1.59609731e+01 2.11797948e+00 1.72310627e+01 32 -3.34876266e+01 1.07654057e+01 2.71242763e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ge (Configuration in file "config-T-Ge.xyz") ----------------------------------------------------------------------------------------------------- Energy = 317.8398060501431 Forces: 1 1.52683686e+01 1.15023439e+01 1.58913924e+01 2 1.55638235e+01 -1.95563581e+01 -4.57306384e+01 3 -3.44414691e+01 -5.21870185e+01 1.68305269e+01 4 -7.52260855e+01 1.49910791e+01 -3.46978278e+01 5 -6.46881509e+00 -5.15791643e+00 -1.24739721e+01 6 2.68918834e+01 -1.61101137e+01 -3.33625227e+01 7 -1.60096961e+01 5.89180325e+01 8.79876839e+01 8 -1.47560653e+01 -4.93596711e+01 4.77976850e+00 9 -1.65584016e+01 8.45166795e+00 -3.72758748e+00 10 3.31341618e+01 3.65226016e+01 1.70901528e+01 11 -4.36991893e+01 -4.23535312e+01 -1.72585896e+01 12 -3.38811632e+01 1.96206284e+01 4.64345369e+00 13 5.95568415e+01 1.01844043e+01 -6.80543826e+01 14 3.77771070e+01 1.15253022e+01 -3.37182292e+01 15 1.49942635e+01 1.97373600e+00 -1.63631143e+01 16 -8.94905556e+01 8.05806550e+01 -1.03763853e+01 17 -2.49362869e+00 -4.59298702e+01 -1.66656334e+01 18 2.77843249e+01 2.24700970e+01 -1.23639058e+01 19 -6.58992102e+00 -3.25165959e+01 2.88561243e+01 20 -2.03814683e+01 8.50772646e+00 2.40290689e+01 21 -8.76583552e+00 -5.29522051e+01 -2.90517356e+01 22 8.44576419e+01 -1.20746723e+01 -1.34601774e+01 23 7.65814036e+00 -1.05389324e+01 1.16918323e+01 24 1.08010659e+01 -5.41577116e-01 2.55068584e+01 25 -2.97090494e+01 3.19031637e+01 1.58897283e-01 26 1.95053960e+01 2.67873952e+01 -2.97904771e+01 27 2.03935664e+01 5.70170706e+00 8.26823642e+01 28 -1.84923108e+01 -8.47567333e+00 -5.69513088e+00 29 1.52521381e+01 -2.34497924e+01 7.85516035e+00 30 4.54515852e+01 8.68000220e+00 1.04316868e+01 31 1.59609731e+01 2.11797948e+00 1.72310627e+01 32 -3.34876266e+01 1.07654057e+01 2.71242763e+01 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.