Enter a model name: === Verification check vc-memory-leak start (2022-11-29 19:07:28) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_TersoffZBL_ByggmastarGranberg_2020_Fe__SM_958863895234_000 Supported species : Fe random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -27.007072907842307 Forces: 1 -3.25317566e+00 -5.50944575e+00 -5.92892713e+00 2 -7.48224837e+00 1.30028821e+01 -6.66995515e+00 3 4.68485630e+00 -4.99003334e+00 1.98636476e-01 4 -5.12603082e+00 4.17656656e+00 4.21136090e+00 5 8.54100249e+00 -1.52608127e+01 -6.16453809e-01 6 4.40152151e+00 1.31411931e+00 -5.78352770e+00 7 3.10062006e+00 -2.30682759e+01 -2.31440732e+01 8 -1.17849554e+01 -1.03748517e+01 5.71066025e+00 9 -4.90025791e+00 -5.86795859e+00 -9.68459353e+00 10 -3.83374014e+00 1.04614141e+01 -1.28906883e+01 11 -4.79925167e+00 -8.26116826e+00 3.28098169e+00 12 -5.49069552e+00 7.42563017e+00 4.47229776e+00 13 -8.65346990e+00 -7.09967898e+00 -3.35982359e+01 14 4.70116348e+00 6.62886691e+00 -4.21026087e+00 15 2.83749879e+01 -8.55914041e+00 6.37476767e+00 16 3.66914616e+00 2.33707083e+01 9.96561583e+00 17 -1.07327819e+01 -4.99376241e+00 -3.96442414e+00 18 5.70010018e+00 9.71584800e+00 -6.73417128e+00 19 5.88704092e+00 -1.05035107e+01 8.53339618e+00 20 -5.23984165e+00 6.00902203e+00 6.35498335e+00 21 -1.26306979e+01 -5.33301401e+00 1.69581344e+00 22 1.31048355e+01 2.01157084e+01 1.80927722e+01 23 5.09653596e+00 -7.73879490e-01 7.81931758e+00 24 -1.61129871e-01 -2.19920728e+00 3.37324634e+00 25 -9.83566982e+00 -7.46893362e+00 -3.74759437e+00 26 -3.38692793e+00 1.49378314e+01 -7.38414246e+00 27 1.19559465e+01 -2.51941752e+01 1.25493915e+01 28 -2.20993406e+01 2.09552845e+01 4.24458551e+00 29 -4.95706882e+00 -1.07232270e+01 4.78736894e+00 30 6.00441700e+00 1.13107910e+01 6.37712020e+00 31 1.28726564e+01 -3.57338299e+00 6.03102646e+00 32 6.27245353e+00 1.03297854e+01 1.02837056e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -27.007072907842307 Forces: 1 -3.25317566e+00 -5.50944575e+00 -5.92892713e+00 2 -7.48224837e+00 1.30028821e+01 -6.66995515e+00 3 4.68485630e+00 -4.99003334e+00 1.98636476e-01 4 -5.12603082e+00 4.17656656e+00 4.21136090e+00 5 8.54100249e+00 -1.52608127e+01 -6.16453809e-01 6 4.40152151e+00 1.31411931e+00 -5.78352770e+00 7 3.10062006e+00 -2.30682759e+01 -2.31440732e+01 8 -1.17849554e+01 -1.03748517e+01 5.71066025e+00 9 -4.90025791e+00 -5.86795859e+00 -9.68459353e+00 10 -3.83374014e+00 1.04614141e+01 -1.28906883e+01 11 -4.79925167e+00 -8.26116826e+00 3.28098169e+00 12 -5.49069552e+00 7.42563017e+00 4.47229776e+00 13 -8.65346990e+00 -7.09967898e+00 -3.35982359e+01 14 4.70116348e+00 6.62886691e+00 -4.21026087e+00 15 2.83749879e+01 -8.55914041e+00 6.37476767e+00 16 3.66914616e+00 2.33707083e+01 9.96561583e+00 17 -1.07327819e+01 -4.99376241e+00 -3.96442414e+00 18 5.70010018e+00 9.71584800e+00 -6.73417128e+00 19 5.88704092e+00 -1.05035107e+01 8.53339618e+00 20 -5.23984165e+00 6.00902203e+00 6.35498335e+00 21 -1.26306979e+01 -5.33301401e+00 1.69581344e+00 22 1.31048355e+01 2.01157084e+01 1.80927722e+01 23 5.09653596e+00 -7.73879490e-01 7.81931758e+00 24 -1.61129871e-01 -2.19920728e+00 3.37324634e+00 25 -9.83566982e+00 -7.46893362e+00 -3.74759437e+00 26 -3.38692793e+00 1.49378314e+01 -7.38414246e+00 27 1.19559465e+01 -2.51941752e+01 1.25493915e+01 28 -2.20993406e+01 2.09552845e+01 4.24458551e+00 29 -4.95706882e+00 -1.07232270e+01 4.78736894e+00 30 6.00441700e+00 1.13107910e+01 6.37712020e+00 31 1.28726564e+01 -3.57338299e+00 6.03102646e+00 32 6.27245353e+00 1.03297854e+01 1.02837056e+01 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed. === Verification check vc-memory-leak end (2022-11-29 19:08:40) ===