!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KoKimKwon_2018_Sn__MO_129364204512_001 Supported species : Sn random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Sn (Configuration in file "config-F-Sn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 480.89087922393566 Forces: 1 -1.90051812e+01 -2.50423689e+01 -3.07121070e+01 2 -1.18744061e+01 1.14532405e+01 -2.94752870e+01 3 1.21432390e+01 -2.81734781e+01 -9.41259958e+00 4 -2.66778676e+01 8.60190978e+00 -7.42214554e+00 5 1.46158910e+00 -4.52785899e+01 -2.20290401e+01 6 2.92961167e+01 8.26389688e+00 -3.07051716e+01 7 5.34246345e+00 -5.08870747e+01 -3.21048063e+01 8 -1.54991346e+00 -4.54486747e+01 1.70811082e+01 9 -3.09141346e+01 -1.09653926e+01 -4.66713440e+01 10 1.13384326e+00 5.77518404e+01 -4.68163539e+01 11 -1.92128521e+01 -1.70868218e+01 1.15763837e+01 12 -3.80099230e+01 3.94403076e+01 8.26814113e+00 13 8.79873669e+00 -5.10356802e+00 -5.33318972e+01 14 2.29065783e+01 3.21788783e+01 -1.95514873e+01 15 5.98844853e+01 -1.30426873e+01 -4.39573286e+00 16 6.69869599e+00 4.69311881e+01 -1.08695376e+01 17 -4.61896351e+01 -3.26433041e+01 9.05704527e+00 18 1.97868755e+01 2.50756377e+01 1.61939239e+01 19 -4.46694453e+00 -3.66108037e+01 2.52425174e+01 20 -1.74847923e+01 1.31536937e+01 1.77728864e+01 21 -1.15558926e+01 -3.01547438e+01 -8.97522677e+00 22 3.93450023e+01 4.42831075e+01 2.76446035e+01 23 2.47677571e+01 -9.10086191e+00 3.39666145e+01 24 3.29686815e+00 1.31898551e+01 2.45306940e+01 25 -3.41275273e+01 -1.18347748e+01 2.09317826e+01 26 -1.35334552e+01 5.16293952e+01 -1.78914582e+01 27 2.47376051e+01 -5.96907479e+01 2.82701462e+01 28 -6.25502780e+01 4.95905511e+01 1.95338301e+01 29 -1.32600794e+00 -4.94663693e+01 2.87650790e+01 30 2.96230859e+01 4.48592074e+01 -2.18703057e-01 31 3.23545459e+01 -1.77954500e+01 3.41092786e+01 32 1.69013234e+01 4.19230024e+01 4.76388633e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Sn (Configuration in file "config-T-Sn.xyz") ----------------------------------------------------------------------------------------------------- Energy = 480.89087922393566 Forces: 1 -1.90051812e+01 -2.50423689e+01 -3.07121070e+01 2 -1.18744061e+01 1.14532405e+01 -2.94752870e+01 3 1.21432390e+01 -2.81734781e+01 -9.41259958e+00 4 -2.66778676e+01 8.60190978e+00 -7.42214554e+00 5 1.46158910e+00 -4.52785899e+01 -2.20290401e+01 6 2.92961167e+01 8.26389688e+00 -3.07051716e+01 7 5.34246345e+00 -5.08870747e+01 -3.21048063e+01 8 -1.54991346e+00 -4.54486747e+01 1.70811082e+01 9 -3.09141346e+01 -1.09653926e+01 -4.66713440e+01 10 1.13384326e+00 5.77518404e+01 -4.68163539e+01 11 -1.92128521e+01 -1.70868218e+01 1.15763837e+01 12 -3.80099230e+01 3.94403076e+01 8.26814113e+00 13 8.79873669e+00 -5.10356802e+00 -5.33318972e+01 14 2.29065783e+01 3.21788783e+01 -1.95514873e+01 15 5.98844853e+01 -1.30426873e+01 -4.39573286e+00 16 6.69869599e+00 4.69311881e+01 -1.08695376e+01 17 -4.61896351e+01 -3.26433041e+01 9.05704527e+00 18 1.97868755e+01 2.50756377e+01 1.61939239e+01 19 -4.46694453e+00 -3.66108037e+01 2.52425174e+01 20 -1.74847923e+01 1.31536937e+01 1.77728864e+01 21 -1.15558926e+01 -3.01547438e+01 -8.97522677e+00 22 3.93450023e+01 4.42831075e+01 2.76446035e+01 23 2.47677571e+01 -9.10086191e+00 3.39666145e+01 24 3.29686815e+00 1.31898551e+01 2.45306940e+01 25 -3.41275273e+01 -1.18347748e+01 2.09317826e+01 26 -1.35334552e+01 5.16293952e+01 -1.78914582e+01 27 2.47376051e+01 -5.96907479e+01 2.82701462e+01 28 -6.25502780e+01 4.95905511e+01 1.95338301e+01 29 -1.32600794e+00 -4.94663693e+01 2.87650790e+01 30 2.96230859e+01 4.48592074e+01 -2.18703057e-01 31 3.23545459e+01 -1.77954500e+01 3.41092786e+01 32 1.69013234e+01 4.19230024e+01 4.76388633e+01 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.