!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : DUNN_WenTadmor_2019v1_C__MO_584345505904_000 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 = -236.69098362816206 Forces: 1 -1.18283727e-03 -6.33276175e-03 -3.71346155e-03 2 6.13549686e-05 2.01480463e-02 2.02260434e-02 3 7.77520312e-03 7.22611565e-03 3.73318840e-03 4 1.96461800e-02 1.72857869e-02 8.87313286e-03 5 2.21791718e-03 7.80022223e-03 1.23758437e-02 6 -1.15770308e-04 5.91300732e-04 -8.81476330e-04 7 -9.60857256e-03 8.26268340e-03 -5.79839094e-03 8 -1.90510363e-02 -5.73820066e-03 3.09616401e-02 9 1.27272679e-02 -9.78734350e-03 1.31844930e-02 10 -4.85770158e-03 -3.82604556e-03 2.30468339e-03 11 -9.38371998e-03 -3.43725249e-03 8.30135689e-03 12 6.07713991e-03 -6.12569427e-03 3.32190524e-03 13 -8.83591347e-03 -1.96008560e-02 -9.94782898e-03 14 5.68062074e-03 4.40315384e-03 -6.10549379e-03 15 1.31857245e-02 -5.96811546e-03 -1.04053998e-04 16 -1.26314813e-02 2.26936567e-03 1.83200555e-02 17 -3.91669497e-03 2.16853261e-03 -4.35995318e-03 18 2.20284408e-02 2.40836151e-02 -2.57846721e-02 19 7.62352823e-03 3.09711493e-03 2.77901519e-03 20 4.71356382e-03 5.15210975e-03 -2.42504763e-03 21 -1.29910694e-02 8.28894046e-03 -8.97272727e-03 22 -1.63310636e-02 1.62571940e-02 1.30192222e-03 23 4.11825197e-03 -5.04530690e-03 5.40156113e-03 24 -7.07916604e-03 1.91643597e-02 -1.57650529e-02 25 1.48389609e-02 -1.81220345e-02 -1.65050211e-02 26 2.78078357e-02 -3.34807099e-02 -3.72242203e-03 27 1.97206833e-02 -1.55404733e-02 -9.06122974e-03 28 -8.10484401e-03 6.96059612e-03 3.36521916e-03 29 -2.40919304e-02 1.23160459e-02 1.23138515e-02 30 -9.15491287e-03 -9.19815098e-03 6.83072198e-03 31 -2.14902413e-02 -7.65156387e-03 -2.25458145e-02 32 6.04282298e-04 -1.56206740e-02 -1.79019877e-02 MONOATOMIC STRUCTURE (pbc=True)-- Species = C (Configuration in file "config-T-C.xyz") ----------------------------------------------------------------------------------------------------- Energy = -236.69098362816206 Forces: 1 -1.18283727e-03 -6.33276175e-03 -3.71346155e-03 2 6.13549686e-05 2.01480463e-02 2.02260434e-02 3 7.77520312e-03 7.22611565e-03 3.73318840e-03 4 1.96461800e-02 1.72857869e-02 8.87313286e-03 5 2.21791718e-03 7.80022223e-03 1.23758437e-02 6 -1.15770308e-04 5.91300732e-04 -8.81476330e-04 7 -9.60857256e-03 8.26268340e-03 -5.79839094e-03 8 -1.90510363e-02 -5.73820066e-03 3.09616401e-02 9 1.27272679e-02 -9.78734350e-03 1.31844930e-02 10 -4.85770158e-03 -3.82604556e-03 2.30468339e-03 11 -9.38371998e-03 -3.43725249e-03 8.30135689e-03 12 6.07713991e-03 -6.12569427e-03 3.32190524e-03 13 -8.83591347e-03 -1.96008560e-02 -9.94782898e-03 14 5.68062074e-03 4.40315384e-03 -6.10549379e-03 15 1.31857245e-02 -5.96811546e-03 -1.04053998e-04 16 -1.26314813e-02 2.26936567e-03 1.83200555e-02 17 -3.91669497e-03 2.16853261e-03 -4.35995318e-03 18 2.20284408e-02 2.40836151e-02 -2.57846721e-02 19 7.62352823e-03 3.09711493e-03 2.77901519e-03 20 4.71356382e-03 5.15210975e-03 -2.42504763e-03 21 -1.29910694e-02 8.28894046e-03 -8.97272727e-03 22 -1.63310636e-02 1.62571940e-02 1.30192222e-03 23 4.11825197e-03 -5.04530690e-03 5.40156113e-03 24 -7.07916604e-03 1.91643597e-02 -1.57650529e-02 25 1.48389609e-02 -1.81220345e-02 -1.65050211e-02 26 2.78078357e-02 -3.34807099e-02 -3.72242203e-03 27 1.97206833e-02 -1.55404733e-02 -9.06122974e-03 28 -8.10484401e-03 6.96059612e-03 3.36521916e-03 29 -2.40919304e-02 1.23160459e-02 1.23138515e-02 30 -9.15491287e-03 -9.19815098e-03 6.83072198e-03 31 -2.14902413e-02 -7.65156387e-03 -2.25458145e-02 32 6.04282298e-04 -1.56206740e-02 -1.79019877e-02 ERROR: Unable to perform verification check. Message = [Errno 12] Cannot allocate memory