!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MasonNguyenManhBecquart_2017_W__MO_268730733493_000 Supported species : W random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = W (Configuration in file "config-F-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 413.53369882868975 Forces: 1 -1.89297223e+01 -3.51646511e+01 -3.74038556e+01 2 -1.63019967e+01 2.32677784e+01 -3.44959152e+01 3 2.44894539e+01 -6.27500426e+01 -2.57290616e+01 4 -4.66833986e+01 2.39286032e+01 1.33945850e+00 5 -4.74783894e+00 -5.91323439e+01 -1.87636776e+01 6 3.56205006e+01 2.39196640e+01 -3.85305987e+01 7 3.73891413e+01 -9.91683974e+01 -6.66531042e+01 8 -5.11226344e+01 -3.89113801e+01 -6.91110020e+00 9 -3.81406921e+01 -2.82650551e+01 -6.46290533e+01 10 -1.51070603e+01 7.18959150e+01 -7.41239601e+01 11 -1.39172776e+01 -4.87519471e+01 1.07521683e+01 12 -4.45944982e+01 6.17558936e+01 8.98239288e+00 13 -1.69204454e+01 -5.02302548e+01 -1.43659287e+02 14 3.40704952e+01 4.18351423e+01 -2.75491092e+01 15 1.34333250e+02 -1.85941419e+01 2.69762440e+01 16 1.88177294e+01 1.14805506e+02 4.45345163e+01 17 -7.01273389e+01 -4.48586523e+01 -1.04282803e+01 18 4.04448509e+01 5.12069971e+01 3.22718249e+01 19 1.70158643e+01 -5.28819931e+01 2.91071938e+01 20 -2.65441914e+01 3.26551485e+01 3.35089693e+01 21 -4.35557499e+01 -4.68183921e+01 2.84030323e+01 22 7.66774082e+01 7.60617905e+01 5.08423395e+01 23 1.97602666e+01 -1.07118863e+01 4.20680499e+01 24 9.99229394e+00 2.42972620e+01 2.21624826e+01 25 -5.40407689e+01 -2.19034020e+01 3.45059662e+01 26 -2.31876254e+01 7.93773462e+01 -3.24828608e+01 27 2.80083109e+01 -1.06822659e+02 4.65211239e+01 28 -8.81533530e+01 7.35369715e+01 2.12509410e+01 29 -2.91971763e+01 -4.56499905e+01 3.35268555e+01 30 3.84625172e+01 5.87692966e+01 -5.47937173e+00 31 5.63713281e+01 -4.40195773e+01 5.62310057e+01 32 2.98183573e+01 5.73214508e+01 6.38546711e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = W (Configuration in file "config-T-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 413.53369882868975 Forces: 1 -1.89297223e+01 -3.51646511e+01 -3.74038556e+01 2 -1.63019967e+01 2.32677784e+01 -3.44959152e+01 3 2.44894539e+01 -6.27500426e+01 -2.57290616e+01 4 -4.66833986e+01 2.39286032e+01 1.33945850e+00 5 -4.74783894e+00 -5.91323439e+01 -1.87636776e+01 6 3.56205006e+01 2.39196640e+01 -3.85305987e+01 7 3.73891413e+01 -9.91683974e+01 -6.66531042e+01 8 -5.11226344e+01 -3.89113801e+01 -6.91110020e+00 9 -3.81406921e+01 -2.82650551e+01 -6.46290533e+01 10 -1.51070603e+01 7.18959150e+01 -7.41239601e+01 11 -1.39172776e+01 -4.87519471e+01 1.07521683e+01 12 -4.45944982e+01 6.17558936e+01 8.98239288e+00 13 -1.69204454e+01 -5.02302548e+01 -1.43659287e+02 14 3.40704952e+01 4.18351423e+01 -2.75491092e+01 15 1.34333250e+02 -1.85941419e+01 2.69762440e+01 16 1.88177294e+01 1.14805506e+02 4.45345163e+01 17 -7.01273389e+01 -4.48586523e+01 -1.04282803e+01 18 4.04448509e+01 5.12069971e+01 3.22718249e+01 19 1.70158643e+01 -5.28819931e+01 2.91071938e+01 20 -2.65441914e+01 3.26551485e+01 3.35089693e+01 21 -4.35557499e+01 -4.68183921e+01 2.84030323e+01 22 7.66774082e+01 7.60617905e+01 5.08423395e+01 23 1.97602666e+01 -1.07118863e+01 4.20680499e+01 24 9.99229394e+00 2.42972620e+01 2.21624826e+01 25 -5.40407689e+01 -2.19034020e+01 3.45059662e+01 26 -2.31876254e+01 7.93773462e+01 -3.24828608e+01 27 2.80083109e+01 -1.06822659e+02 4.65211239e+01 28 -8.81533530e+01 7.35369715e+01 2.12509410e+01 29 -2.91971763e+01 -4.56499905e+01 3.35268555e+01 30 3.84625172e+01 5.87692966e+01 -5.47937173e+00 31 5.63713281e+01 -4.40195773e+01 5.62310057e+01 32 2.98183573e+01 5.73214508e+01 6.38546711e+01 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.