Enter a model name: === Verification check vc-memory-leak start (2022-11-29 19:19:42) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_WuLeeSu_2017_NiCr__MO_880803040302_001 Supported species : Cr Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cr (Configuration in file "config-F-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 61.20191313115482 Forces: 1 -5.75772601e+00 -9.43455551e+00 -1.50813335e+01 2 -8.62025820e+00 1.17673025e+01 -9.61784929e+00 3 1.84336180e+00 -7.73571633e+00 1.17435913e+01 4 -8.03033963e+00 6.98845981e+00 6.03663175e+00 5 3.03287397e+00 -2.19435026e+01 -1.05011330e+01 6 1.45709335e+01 2.16985586e+01 -3.00793424e+01 7 7.71108911e+00 -6.10457084e+01 -2.08401487e+01 8 -2.41310529e+01 -1.75646045e+01 -2.34785019e+00 9 -1.36229353e+01 -1.38065658e+01 -2.43077875e+01 10 -1.04859796e+01 2.86077862e+01 -2.98447997e+01 11 -7.84272923e+00 -2.33067861e+01 1.64345072e+01 12 -1.31827716e+01 2.00227024e+01 1.12332398e+01 13 -9.76622639e+00 -2.10508433e+01 -6.34037382e+01 14 1.03760129e+01 1.44287943e+01 -9.45865481e+00 15 5.74120635e+01 -1.00655125e+01 2.09282732e+01 16 9.00187405e+00 4.11740311e+01 2.20347758e+01 17 -1.70190662e+01 -1.20857991e+01 -9.76561034e+00 18 7.51858483e+00 1.36848810e+01 -1.44899711e+01 19 7.93099247e+00 -1.61399445e+01 1.48660971e+01 20 -8.31762100e+00 9.85022344e+00 1.09426314e+01 21 -2.51327691e+01 -1.63454015e+01 8.18175462e+00 22 3.29202508e+01 4.32352581e+01 3.82241945e+01 23 8.08748243e+00 -1.50688254e-01 1.12831818e+01 24 4.82631070e+00 -5.25360092e+00 9.10404346e+00 25 -9.99377620e+00 -4.81526944e+00 3.83874479e+00 26 -9.68174467e+00 2.07778963e+01 -1.35714442e+01 27 2.84748749e+01 -5.35097238e+01 1.45562171e+01 28 -5.04632276e+01 4.40273099e+01 8.13924909e+00 29 -1.11036457e+01 -8.20973676e+00 8.61308076e+00 30 8.65921265e+00 1.48332909e+01 1.58206618e+00 31 1.98890242e+01 -9.18069105e+00 1.44519099e+01 32 1.08969275e+01 2.05481557e+01 2.11154732e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cr (Configuration in file "config-T-Cr.xyz") ----------------------------------------------------------------------------------------------------- Energy = 61.20191313115482 Forces: 1 -5.75772601e+00 -9.43455551e+00 -1.50813335e+01 2 -8.62025820e+00 1.17673025e+01 -9.61784929e+00 3 1.84336180e+00 -7.73571633e+00 1.17435913e+01 4 -8.03033963e+00 6.98845981e+00 6.03663175e+00 5 3.03287397e+00 -2.19435026e+01 -1.05011330e+01 6 1.45709335e+01 2.16985586e+01 -3.00793424e+01 7 7.71108911e+00 -6.10457084e+01 -2.08401487e+01 8 -2.41310529e+01 -1.75646045e+01 -2.34785019e+00 9 -1.36229353e+01 -1.38065658e+01 -2.43077875e+01 10 -1.04859796e+01 2.86077862e+01 -2.98447997e+01 11 -7.84272923e+00 -2.33067861e+01 1.64345072e+01 12 -1.31827716e+01 2.00227024e+01 1.12332398e+01 13 -9.76622639e+00 -2.10508433e+01 -6.34037382e+01 14 1.03760129e+01 1.44287943e+01 -9.45865481e+00 15 5.74120635e+01 -1.00655125e+01 2.09282732e+01 16 9.00187405e+00 4.11740311e+01 2.20347758e+01 17 -1.70190662e+01 -1.20857991e+01 -9.76561034e+00 18 7.51858483e+00 1.36848810e+01 -1.44899711e+01 19 7.93099247e+00 -1.61399445e+01 1.48660971e+01 20 -8.31762100e+00 9.85022344e+00 1.09426314e+01 21 -2.51327691e+01 -1.63454015e+01 8.18175462e+00 22 3.29202508e+01 4.32352581e+01 3.82241945e+01 23 8.08748243e+00 -1.50688254e-01 1.12831818e+01 24 4.82631070e+00 -5.25360092e+00 9.10404346e+00 25 -9.99377620e+00 -4.81526944e+00 3.83874479e+00 26 -9.68174467e+00 2.07778963e+01 -1.35714442e+01 27 2.84748749e+01 -5.35097238e+01 1.45562171e+01 28 -5.04632276e+01 4.40273099e+01 8.13924909e+00 29 -1.11036457e+01 -8.20973676e+00 8.61308076e+00 30 8.65921265e+00 1.48332909e+01 1.58206618e+00 31 1.98890242e+01 -9.18069105e+00 1.44519099e+01 32 1.08969275e+01 2.05481557e+01 2.11154732e+01 ERROR: Unable to perform verification check. Message = === Verification check vc-memory-leak end (2022-11-29 19:19:44) ===