!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : MEAM_LAMMPS_LeeBaskesKim_2001_Fe__MO_196726067688_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 = -2.802514364706264 Forces: 1 -5.34259516e+00 -5.58284574e+00 -8.66926911e+00 2 -5.51118880e+00 9.29800556e+00 -5.22872961e+00 3 1.83244201e+00 -6.64801638e+00 5.16254570e+00 4 -4.75130818e+00 5.38941934e+00 3.12182955e+00 5 -1.32817315e-01 -1.55009208e+01 -2.72772490e+00 6 9.96344673e+00 7.58333526e+00 -7.91993323e+00 7 5.60022814e+00 -2.42570445e+01 -1.98461996e+01 8 -1.13112670e+01 -1.13616021e+01 -4.00329793e+00 9 -2.40178227e+00 -1.13410898e+01 -1.24021423e+01 10 -3.70569601e+00 1.03798513e+01 -1.38091878e+01 11 -7.64290822e+00 -6.42140605e+00 -9.68929420e+00 12 -8.27488007e+00 1.05425078e+01 1.05358033e+01 13 -9.40124849e+00 -1.09246118e+01 -3.25034928e+01 14 5.83844064e+00 7.58673263e+00 -4.92062466e+00 15 3.05583454e+01 -9.76230566e+00 3.88008891e+00 16 2.99108839e+00 2.49399129e+01 7.90446566e+00 17 -9.38993418e+00 -6.53124123e+00 -4.79684320e+00 18 4.00705602e+00 2.32349313e+00 2.11027991e+00 19 4.32362382e+00 -7.62752648e+00 5.94902354e+00 20 -3.59372652e+00 5.22180237e+00 5.39546513e+00 21 -9.80161143e+00 -7.98796992e+00 6.61320675e+00 22 1.65936256e+01 1.81404459e+01 1.97107030e+01 23 2.12632691e+00 -5.69721743e-01 3.44198035e+00 24 1.34940653e+00 1.70139749e+00 2.94038792e+00 25 -1.71175632e+01 -5.27354470e+00 -4.92752505e+00 26 -4.93106997e+00 1.89231618e+01 -5.38107387e+00 27 1.35666913e+01 -2.62222172e+01 1.37893507e+01 28 -2.21820958e+01 2.15209731e+01 7.24816858e+00 29 -1.57423388e+00 -6.89308671e+00 1.16827740e+01 30 8.14778610e+00 1.33919099e+01 8.02727891e+00 31 1.24417038e+01 -4.84169367e+00 7.52354547e+00 32 7.72571513e+00 1.08038960e+01 1.17884409e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = -2.802514364706264 Forces: 1 -5.34259516e+00 -5.58284574e+00 -8.66926911e+00 2 -5.51118880e+00 9.29800556e+00 -5.22872961e+00 3 1.83244201e+00 -6.64801638e+00 5.16254570e+00 4 -4.75130818e+00 5.38941934e+00 3.12182955e+00 5 -1.32817315e-01 -1.55009208e+01 -2.72772490e+00 6 9.96344673e+00 7.58333526e+00 -7.91993323e+00 7 5.60022814e+00 -2.42570445e+01 -1.98461996e+01 8 -1.13112670e+01 -1.13616021e+01 -4.00329793e+00 9 -2.40178227e+00 -1.13410898e+01 -1.24021423e+01 10 -3.70569601e+00 1.03798513e+01 -1.38091878e+01 11 -7.64290822e+00 -6.42140605e+00 -9.68929420e+00 12 -8.27488007e+00 1.05425078e+01 1.05358033e+01 13 -9.40124849e+00 -1.09246118e+01 -3.25034928e+01 14 5.83844064e+00 7.58673263e+00 -4.92062466e+00 15 3.05583454e+01 -9.76230566e+00 3.88008891e+00 16 2.99108839e+00 2.49399129e+01 7.90446566e+00 17 -9.38993418e+00 -6.53124123e+00 -4.79684320e+00 18 4.00705602e+00 2.32349313e+00 2.11027991e+00 19 4.32362382e+00 -7.62752648e+00 5.94902354e+00 20 -3.59372652e+00 5.22180237e+00 5.39546513e+00 21 -9.80161143e+00 -7.98796992e+00 6.61320675e+00 22 1.65936256e+01 1.81404459e+01 1.97107030e+01 23 2.12632691e+00 -5.69721743e-01 3.44198035e+00 24 1.34940653e+00 1.70139749e+00 2.94038792e+00 25 -1.71175632e+01 -5.27354470e+00 -4.92752505e+00 26 -4.93106997e+00 1.89231618e+01 -5.38107387e+00 27 1.35666913e+01 -2.62222172e+01 1.37893507e+01 28 -2.21820958e+01 2.15209731e+01 7.24816858e+00 29 -1.57423388e+00 -6.89308671e+00 1.16827740e+01 30 8.14778610e+00 1.33919099e+01 8.02727891e+00 31 1.24417038e+01 -4.84169367e+00 7.52354547e+00 32 7.72571513e+00 1.08038960e+01 1.17884409e+01 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.