Enter a model name: === Verification check vc-memory-leak start (2022-11-08 15:59:05) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MendelevKramerOtt_2009_CuZr__MO_600021860456_005 Supported species : Cu Zr random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 15.157227655190873 Forces: 1 -1.50460337e+01 -3.28344906e+01 -4.98077255e+01 2 -1.01552882e+01 1.17693812e+01 -5.87650376e+00 3 2.68230513e+01 -2.45746998e+01 1.58637728e+01 4 -1.63292478e+01 5.37212258e+01 3.25373251e+01 5 9.01345196e+00 -1.43494240e+01 -1.86598107e+00 6 2.42422963e+00 3.45852714e-01 -2.87284432e+00 7 4.44795684e+00 -3.89600341e+01 -4.74886060e+01 8 -2.97982416e+01 -2.63830334e+01 9.63495546e-01 9 -7.24724014e+00 -2.09048749e+01 -2.78786621e+01 10 -3.04532532e+00 1.47783965e+01 -1.76163124e+01 11 -2.32212340e+01 -1.61007090e+01 5.55084468e+00 12 -5.55898814e+00 1.92265258e+01 2.02280466e+01 13 -1.97250424e+01 -8.85766306e+00 -6.27700566e+01 14 9.71546746e+00 9.01521770e+00 -3.14730071e+00 15 7.05367440e+01 1.55905930e+01 1.69361885e+01 16 1.59889144e+01 4.71549009e+01 1.14438321e+01 17 -7.46796308e+00 -2.71026345e+01 -2.84833976e+01 18 4.64586366e+00 2.62779447e+00 5.21394412e-01 19 2.93222478e+00 -3.47322854e+00 3.39279933e+00 20 -1.63281392e+00 2.49855100e+01 2.93994817e+01 21 -2.26552576e+01 -1.05188918e+01 9.19316506e+00 22 2.23728539e+01 3.25685462e+01 2.60284156e+01 23 9.25022978e+00 -8.49581809e-01 1.71981069e+01 24 -8.56927474e-01 1.52900035e+00 2.24586043e+00 25 -3.34073298e+00 -4.74042989e+00 3.60297119e+00 26 -2.47599312e+01 1.74707828e+01 -1.07621983e+01 27 2.90626343e+01 -4.28908187e+01 1.25845274e+01 28 -3.99796847e+01 3.71461007e+01 -6.79480173e+00 29 -3.18234188e+00 -2.43854448e+01 3.11682844e+01 30 3.11937449e+00 4.29402822e+00 2.09860200e+00 31 2.11502360e+00 1.32403302e-01 1.87256667e+00 32 2.15542741e+01 4.56969952e+00 2.25347096e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 15.157227655190873 Forces: 1 -1.50460337e+01 -3.28344906e+01 -4.98077255e+01 2 -1.01552882e+01 1.17693812e+01 -5.87650376e+00 3 2.68230513e+01 -2.45746998e+01 1.58637728e+01 4 -1.63292478e+01 5.37212258e+01 3.25373251e+01 5 9.01345196e+00 -1.43494240e+01 -1.86598107e+00 6 2.42422963e+00 3.45852714e-01 -2.87284432e+00 7 4.44795684e+00 -3.89600341e+01 -4.74886060e+01 8 -2.97982416e+01 -2.63830334e+01 9.63495546e-01 9 -7.24724014e+00 -2.09048749e+01 -2.78786621e+01 10 -3.04532532e+00 1.47783965e+01 -1.76163124e+01 11 -2.32212340e+01 -1.61007090e+01 5.55084468e+00 12 -5.55898814e+00 1.92265258e+01 2.02280466e+01 13 -1.97250424e+01 -8.85766306e+00 -6.27700566e+01 14 9.71546746e+00 9.01521770e+00 -3.14730071e+00 15 7.05367440e+01 1.55905930e+01 1.69361885e+01 16 1.59889144e+01 4.71549009e+01 1.14438321e+01 17 -7.46796308e+00 -2.71026345e+01 -2.84833976e+01 18 4.64586366e+00 2.62779447e+00 5.21394412e-01 19 2.93222478e+00 -3.47322854e+00 3.39279933e+00 20 -1.63281392e+00 2.49855100e+01 2.93994817e+01 21 -2.26552576e+01 -1.05188918e+01 9.19316506e+00 22 2.23728539e+01 3.25685462e+01 2.60284156e+01 23 9.25022978e+00 -8.49581809e-01 1.71981069e+01 24 -8.56927474e-01 1.52900035e+00 2.24586043e+00 25 -3.34073298e+00 -4.74042989e+00 3.60297119e+00 26 -2.47599312e+01 1.74707828e+01 -1.07621983e+01 27 2.90626343e+01 -4.28908187e+01 1.25845274e+01 28 -3.99796847e+01 3.71461007e+01 -6.79480173e+00 29 -3.18234188e+00 -2.43854448e+01 3.11682844e+01 30 3.11937449e+00 4.29402822e+00 2.09860200e+00 31 2.11502360e+00 1.32403302e-01 1.87256667e+00 32 2.15542741e+01 4.56969952e+00 2.25347096e+01 ERROR: Unable to perform verification check. Message = std::bad_alloc === Verification check vc-memory-leak end (2022-11-08 15:59:07) ===