!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_FellingerParkWilkins_2010_Nb__MO_102133002179_005 Supported species : Nb random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Nb (Configuration in file "config-F-Nb.xyz") ----------------------------------------------------------------------------------------------------- Energy = -115.9504651016585 Forces: 1 -3.99533745e+00 -4.30161671e+00 -4.22292252e+00 2 -1.68404822e+01 -2.35534084e+01 -4.77868581e+01 3 -1.54207739e+01 -3.95582497e+01 -1.74281615e+01 4 -4.79765620e+01 -2.30467598e+01 -1.84784826e+01 5 -1.09136711e-02 -2.10903811e+01 -2.10229179e+01 6 2.25584969e+01 -4.47341772e-01 -2.30519836e+01 7 2.38832639e+01 -2.44665712e+01 -1.13464004e+00 8 3.32784428e+01 -5.24137654e+01 -4.85999030e+01 9 -3.10980538e+01 4.66356405e-01 -3.14298540e+01 10 -1.42041688e-01 2.93042704e+01 -2.91162869e+01 11 -2.87346393e+01 3.06256124e+01 -3.88487408e+01 12 -3.06616743e+01 3.08797524e+01 -5.56335665e-01 13 2.24545700e+01 1.74313237e+01 -4.63216363e+01 14 3.91049340e+00 4.09773288e+00 -3.88115174e+00 15 5.01081022e+01 1.86699388e+01 -2.51106634e+01 16 2.09187105e+01 5.06671505e+01 -2.22939550e+01 17 -2.49996249e+01 -2.54231237e+01 1.03296353e-01 18 -4.21698600e+01 -5.07287756e+01 2.82047381e+01 19 -5.48495762e-01 -2.59672870e+01 2.52436566e+01 20 -2.85351554e+01 -1.35651334e+00 2.78767733e+01 21 1.80580001e+01 -4.25164982e+01 1.65109248e+01 22 5.31419447e+01 -2.68825952e+01 1.88445694e+01 23 6.19897822e+00 -6.69258098e+00 6.34675626e+00 24 2.08606594e+01 -2.74519258e+01 5.64603672e+01 25 -5.08781913e+01 1.96345310e+01 2.37338909e+01 26 -2.54330884e+01 5.66452572e+01 2.28734029e+01 27 -2.47826498e+01 1.94909573e+01 5.08112100e+01 28 -5.96629495e+00 5.97438286e+00 6.07038767e+00 29 3.96010762e+01 4.77451155e+01 3.26759674e+01 30 3.11125683e+01 3.16146105e+01 6.69957956e-01 31 3.12994552e+01 7.61172868e-01 3.13583255e+01 32 8.09076895e-01 3.18892294e+01 3.15002686e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Nb (Configuration in file "config-T-Nb.xyz") ----------------------------------------------------------------------------------------------------- Energy = -115.9504651016585 Forces: 1 -3.99533745e+00 -4.30161671e+00 -4.22292252e+00 2 -1.68404822e+01 -2.35534084e+01 -4.77868581e+01 3 -1.54207739e+01 -3.95582497e+01 -1.74281615e+01 4 -4.79765620e+01 -2.30467598e+01 -1.84784826e+01 5 -1.09136711e-02 -2.10903811e+01 -2.10229179e+01 6 2.25584969e+01 -4.47341772e-01 -2.30519836e+01 7 2.38832639e+01 -2.44665712e+01 -1.13464004e+00 8 3.32784428e+01 -5.24137654e+01 -4.85999030e+01 9 -3.10980538e+01 4.66356405e-01 -3.14298540e+01 10 -1.42041688e-01 2.93042704e+01 -2.91162869e+01 11 -2.87346393e+01 3.06256124e+01 -3.88487408e+01 12 -3.06616743e+01 3.08797524e+01 -5.56335665e-01 13 2.24545700e+01 1.74313237e+01 -4.63216363e+01 14 3.91049340e+00 4.09773288e+00 -3.88115174e+00 15 5.01081022e+01 1.86699388e+01 -2.51106634e+01 16 2.09187105e+01 5.06671505e+01 -2.22939550e+01 17 -2.49996249e+01 -2.54231237e+01 1.03296353e-01 18 -4.21698600e+01 -5.07287756e+01 2.82047381e+01 19 -5.48495762e-01 -2.59672870e+01 2.52436566e+01 20 -2.85351554e+01 -1.35651334e+00 2.78767733e+01 21 1.80580001e+01 -4.25164982e+01 1.65109248e+01 22 5.31419447e+01 -2.68825952e+01 1.88445694e+01 23 6.19897822e+00 -6.69258098e+00 6.34675626e+00 24 2.08606594e+01 -2.74519258e+01 5.64603672e+01 25 -5.08781913e+01 1.96345310e+01 2.37338909e+01 26 -2.54330884e+01 5.66452572e+01 2.28734029e+01 27 -2.47826498e+01 1.94909573e+01 5.08112100e+01 28 -5.96629495e+00 5.97438286e+00 6.07038767e+00 29 3.96010762e+01 4.77451155e+01 3.26759674e+01 30 3.11125683e+01 3.16146105e+01 6.69957956e-01 31 3.12994552e+01 7.61172868e-01 3.13583255e+01 32 8.09076895e-01 3.18892294e+01 3.15002686e+01 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.