!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : TIDP_RajanWarnerCurtin_2016F_User01__MO_246297839798_001 Supported species : user01 random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = user01 (Configuration in file "config-F-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 2009.11479990181 Forces: 1 -2.72715094e+02 -1.14454976e+03 -1.39740834e+03 2 -2.83876429e+03 8.01507699e+02 -3.55927800e+02 3 1.23452508e+02 -1.65450037e+02 7.29797540e+01 4 1.62996254e+02 1.30167763e+03 1.32634376e+03 5 2.84076904e+03 -7.95646741e+02 3.57411625e+02 6 -6.81974369e+00 -8.69021879e-01 4.49508511e+00 7 1.56377192e+02 8.74239311e+02 -2.87065492e+03 8 -4.41866690e+02 -1.49332541e+03 8.76200993e+01 9 -1.51529679e+03 -6.83618425e+02 -3.68792686e+02 10 1.46844712e+03 7.52305857e+02 2.75074882e+02 11 3.54087724e+01 -6.44072764e+01 7.65373908e+01 12 5.39199838e+00 -4.78900760e+00 4.85348417e+00 13 -1.83462203e+03 -1.03446832e+03 -8.51362548e+02 14 1.16322920e+03 1.15869985e+03 -4.25095405e+02 15 1.29068628e+03 1.22594835e+03 9.46901688e+02 16 -1.71910247e+02 1.10810055e+02 2.29714750e+02 17 -5.26271490e+02 -3.39445202e+02 1.61480406e+02 18 5.22907959e+02 3.48084800e+02 -1.60375304e+02 19 3.28430796e+03 -1.87545918e+03 7.89211961e+02 20 -3.28423725e+03 1.87930318e+03 -7.89580552e+02 21 -6.23253787e+02 -1.22050137e+03 2.42114863e+03 22 4.31494720e+02 3.36478920e+02 3.55964124e+02 23 2.32015644e+01 1.59298166e+01 8.62098397e+01 24 7.23653555e-01 -4.75535681e+00 -1.10012350e+00 25 2.13568056e+00 2.05513350e+00 -9.29921419e+00 26 -2.72778065e+02 1.86344459e+02 -1.28259196e+02 27 2.21040358e+03 -1.79353242e+03 -3.68014844e+02 28 -2.23423321e+03 1.76468894e+03 3.96838327e+02 29 -5.75811839e+02 -3.06850775e+03 -7.18194241e+03 30 4.63162431e+02 6.75632929e+02 -7.94845175e+02 31 4.28623194e+02 -5.21848614e+02 6.77068583e+02 32 -1.51386113e+01 2.77746695e+03 7.43280412e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = user01 (Configuration in file "config-T-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 2009.11479990181 Forces: 1 -2.72715094e+02 -1.14454976e+03 -1.39740834e+03 2 -2.83876429e+03 8.01507699e+02 -3.55927800e+02 3 1.23452508e+02 -1.65450037e+02 7.29797540e+01 4 1.62996254e+02 1.30167763e+03 1.32634376e+03 5 2.84076904e+03 -7.95646741e+02 3.57411625e+02 6 -6.81974369e+00 -8.69021879e-01 4.49508511e+00 7 1.56377192e+02 8.74239311e+02 -2.87065492e+03 8 -4.41866690e+02 -1.49332541e+03 8.76200993e+01 9 -1.51529679e+03 -6.83618425e+02 -3.68792686e+02 10 1.46844712e+03 7.52305857e+02 2.75074882e+02 11 3.54087724e+01 -6.44072764e+01 7.65373908e+01 12 5.39199838e+00 -4.78900760e+00 4.85348417e+00 13 -1.83462203e+03 -1.03446832e+03 -8.51362548e+02 14 1.16322920e+03 1.15869985e+03 -4.25095405e+02 15 1.29068628e+03 1.22594835e+03 9.46901688e+02 16 -1.71910247e+02 1.10810055e+02 2.29714750e+02 17 -5.26271490e+02 -3.39445202e+02 1.61480406e+02 18 5.22907959e+02 3.48084800e+02 -1.60375304e+02 19 3.28430796e+03 -1.87545918e+03 7.89211961e+02 20 -3.28423725e+03 1.87930318e+03 -7.89580552e+02 21 -6.23253787e+02 -1.22050137e+03 2.42114863e+03 22 4.31494720e+02 3.36478920e+02 3.55964124e+02 23 2.32015644e+01 1.59298166e+01 8.62098397e+01 24 7.23653555e-01 -4.75535681e+00 -1.10012350e+00 25 2.13568056e+00 2.05513350e+00 -9.29921419e+00 26 -2.72778065e+02 1.86344459e+02 -1.28259196e+02 27 2.21040358e+03 -1.79353242e+03 -3.68014844e+02 28 -2.23423321e+03 1.76468894e+03 3.96838327e+02 29 -5.75811839e+02 -3.06850775e+03 -7.18194241e+03 30 4.63162431e+02 6.75632929e+02 -7.94845175e+02 31 4.28623194e+02 -5.21848614e+02 6.77068583e+02 32 -1.51386113e+01 2.77746695e+03 7.43280412e+03 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.