Enter a model name: === Verification check vc-memory-leak start (2022-11-29 19:10:36) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EAM_Dynamo_MendelevHanSrolovitz_2003Potential5_Fe__MO_942420706858_005 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 = 119.74097625398988 Forces: 1 -1.83458491e+01 -2.01476468e+01 -3.93351378e+01 2 -2.55125949e+01 3.02598353e+01 -6.99210780e+00 3 3.77819670e+01 -4.37723732e+01 -1.99302614e+01 4 -1.38855231e+01 3.66553638e+01 1.61100497e+01 5 7.58144318e+00 -4.64904060e+01 2.14497618e+00 6 2.20110575e+01 2.07671240e+01 -1.83163866e+01 7 2.17222293e+01 -7.74363807e+01 -6.97098780e+01 8 -3.36200690e+01 -2.87938595e+01 -2.91236705e+01 9 -3.19308044e+01 -2.31546474e+01 -5.00973689e+01 10 -2.24168389e+01 5.32990030e+01 -5.66253975e+01 11 -1.93291655e+01 -5.15793054e+01 5.02892480e+01 12 -1.15932929e+01 2.80929815e+01 1.24724715e+01 13 -1.05500715e+01 -4.10628366e+01 -1.07905710e+02 14 1.50703134e+01 2.16860504e+01 -1.11580367e+01 15 1.04616224e+02 -5.41602510e+00 2.15257045e+01 16 2.39041862e+01 8.34492030e+01 4.61120951e+01 17 -3.94369331e+01 -3.29384081e+00 1.01212028e+01 18 -9.43531827e+00 1.57392753e+01 2.85632884e+01 19 1.64747415e+01 -4.56235344e+00 1.48256362e+01 20 -2.19924740e+00 6.51173079e+00 4.99457580e+00 21 -3.22421563e+01 -1.77440670e+01 3.43249281e+01 22 4.15918379e+01 5.94186578e+01 4.00590790e+01 23 2.28408122e+00 -7.36180949e+00 1.94605732e+01 24 -1.12724586e+00 9.79497449e-02 3.21116547e+00 25 -1.61647717e+01 -3.88890329e+01 -2.08987165e+01 26 -1.16464009e+01 5.24541485e+01 -3.82542165e+01 27 1.74238705e+01 -8.54260702e+01 4.13980065e+01 28 -7.02489759e+01 6.71648180e+01 2.32621932e+01 29 -2.42144650e+01 -1.62282081e+01 2.92748883e+01 30 1.07764286e+01 2.93194270e+01 -3.91167483e+00 31 4.39325760e+01 -3.11478076e+01 3.73315870e+01 32 2.87287676e+01 3.75911023e+01 3.67768944e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 119.74097625398988 Forces: 1 -1.83458491e+01 -2.01476468e+01 -3.93351378e+01 2 -2.55125949e+01 3.02598353e+01 -6.99210780e+00 3 3.77819670e+01 -4.37723732e+01 -1.99302614e+01 4 -1.38855231e+01 3.66553638e+01 1.61100497e+01 5 7.58144318e+00 -4.64904060e+01 2.14497618e+00 6 2.20110575e+01 2.07671240e+01 -1.83163866e+01 7 2.17222293e+01 -7.74363807e+01 -6.97098780e+01 8 -3.36200690e+01 -2.87938595e+01 -2.91236705e+01 9 -3.19308044e+01 -2.31546474e+01 -5.00973689e+01 10 -2.24168389e+01 5.32990030e+01 -5.66253975e+01 11 -1.93291655e+01 -5.15793054e+01 5.02892480e+01 12 -1.15932929e+01 2.80929815e+01 1.24724715e+01 13 -1.05500715e+01 -4.10628366e+01 -1.07905710e+02 14 1.50703134e+01 2.16860504e+01 -1.11580367e+01 15 1.04616224e+02 -5.41602510e+00 2.15257045e+01 16 2.39041862e+01 8.34492030e+01 4.61120951e+01 17 -3.94369331e+01 -3.29384081e+00 1.01212028e+01 18 -9.43531827e+00 1.57392753e+01 2.85632884e+01 19 1.64747415e+01 -4.56235344e+00 1.48256362e+01 20 -2.19924740e+00 6.51173079e+00 4.99457580e+00 21 -3.22421563e+01 -1.77440670e+01 3.43249281e+01 22 4.15918379e+01 5.94186578e+01 4.00590790e+01 23 2.28408122e+00 -7.36180949e+00 1.94605732e+01 24 -1.12724586e+00 9.79497449e-02 3.21116547e+00 25 -1.61647717e+01 -3.88890329e+01 -2.08987165e+01 26 -1.16464009e+01 5.24541485e+01 -3.82542165e+01 27 1.74238705e+01 -8.54260702e+01 4.13980065e+01 28 -7.02489759e+01 6.71648180e+01 2.32621932e+01 29 -2.42144650e+01 -1.62282081e+01 2.92748883e+01 30 1.07764286e+01 2.93194270e+01 -3.91167483e+00 31 4.39325760e+01 -3.11478076e+01 3.73315870e+01 32 2.87287676e+01 3.75911023e+01 3.67768944e+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 19:10:57) ===