!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimLeeBaskes_2006_Ti__MO_472654156677_000 Supported species : Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 112.64736659259933 Forces: 1 -6.46435369e+00 -9.49599088e+00 -1.01220788e+01 2 -6.72957287e+00 9.05894595e+00 -1.39834394e+01 3 9.63927591e-01 -1.44465310e+01 -1.92266684e+00 4 -1.27038186e+01 2.72759779e+00 -8.85095571e-01 5 9.48475297e+00 -1.76048288e+01 -6.65303054e+00 6 5.84069858e+00 1.49169199e+00 -8.59187331e+00 7 1.00664432e+01 -2.44770064e+01 -1.93546076e+01 8 -4.93696083e+00 -6.21477270e+00 -4.82440468e+00 9 -1.02627597e+01 -1.05493879e+01 -2.08816507e+01 10 -5.01196011e+00 2.49666560e+01 -2.06711259e+01 11 -9.17932692e+00 -1.23204976e+01 5.31542583e+00 12 -1.72545333e+01 1.80151496e+01 5.95001506e+00 13 1.15059841e+01 -1.44552514e+01 -3.31983092e+01 14 9.57596924e+00 1.17217296e+01 -1.27405418e+01 15 2.65113202e+01 -1.23627371e+01 -2.53372421e+00 16 1.24932517e+00 3.24390020e+01 9.81518842e+00 17 -1.81580310e+01 -1.32596046e+01 -3.19551926e+00 18 6.62742357e+00 7.43376148e+00 3.29451502e+00 19 5.32421983e+00 -1.29257110e+01 1.21684663e+01 20 -9.38006526e+00 6.97483144e+00 1.19133597e+01 21 -9.34094077e+00 -1.26251829e+01 8.09381523e+00 22 2.09024170e+01 1.51624963e+01 1.31861781e+01 23 6.45739971e+00 -3.34309534e+00 1.03248063e+01 24 1.48038675e+00 -1.46883388e+00 9.04021615e+00 25 -1.57043677e+01 2.38743198e+00 8.50411033e+00 26 -6.79944244e+00 2.04700561e+01 -5.01758052e+00 27 3.35606874e+00 -2.11115815e+01 1.34513314e+01 28 -2.13331942e+01 1.69202160e+01 6.76880404e+00 29 -4.14083639e+00 -8.78044884e+00 8.05123554e+00 30 1.42481296e+01 1.76518631e+01 6.42751656e+00 31 1.65665138e+01 -7.33787136e+00 1.42368764e+01 32 7.23918388e+00 1.53579038e+01 1.80337880e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 112.64736659259933 Forces: 1 -6.46435369e+00 -9.49599088e+00 -1.01220788e+01 2 -6.72957287e+00 9.05894595e+00 -1.39834394e+01 3 9.63927591e-01 -1.44465310e+01 -1.92266684e+00 4 -1.27038186e+01 2.72759779e+00 -8.85095571e-01 5 9.48475297e+00 -1.76048288e+01 -6.65303054e+00 6 5.84069858e+00 1.49169199e+00 -8.59187331e+00 7 1.00664432e+01 -2.44770064e+01 -1.93546076e+01 8 -4.93696083e+00 -6.21477270e+00 -4.82440468e+00 9 -1.02627597e+01 -1.05493879e+01 -2.08816507e+01 10 -5.01196011e+00 2.49666560e+01 -2.06711259e+01 11 -9.17932692e+00 -1.23204976e+01 5.31542583e+00 12 -1.72545333e+01 1.80151496e+01 5.95001506e+00 13 1.15059841e+01 -1.44552514e+01 -3.31983092e+01 14 9.57596924e+00 1.17217296e+01 -1.27405418e+01 15 2.65113202e+01 -1.23627371e+01 -2.53372421e+00 16 1.24932517e+00 3.24390020e+01 9.81518842e+00 17 -1.81580310e+01 -1.32596046e+01 -3.19551926e+00 18 6.62742357e+00 7.43376148e+00 3.29451502e+00 19 5.32421983e+00 -1.29257110e+01 1.21684663e+01 20 -9.38006526e+00 6.97483144e+00 1.19133597e+01 21 -9.34094077e+00 -1.26251829e+01 8.09381523e+00 22 2.09024170e+01 1.51624963e+01 1.31861781e+01 23 6.45739971e+00 -3.34309534e+00 1.03248063e+01 24 1.48038675e+00 -1.46883388e+00 9.04021615e+00 25 -1.57043677e+01 2.38743198e+00 8.50411033e+00 26 -6.79944244e+00 2.04700561e+01 -5.01758052e+00 27 3.35606874e+00 -2.11115815e+01 1.34513314e+01 28 -2.13331942e+01 1.69202160e+01 6.76880404e+00 29 -4.14083639e+00 -8.78044884e+00 8.05123554e+00 30 1.42481296e+01 1.76518631e+01 6.42751656e+00 31 1.65665138e+01 -7.33787136e+00 1.42368764e+01 32 7.23918388e+00 1.53579038e+01 1.80337880e+01 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.