!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EAM_Dynamo_AcklandTichyVitek_1987_Cu__MO_179025990738_005 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -33.83254864862954 Forces: 1 -1.61087270e+00 -3.24204852e+00 -3.49586221e+00 2 -2.48096977e+00 1.77570997e+00 -4.05792273e+00 3 2.46555507e+00 -2.58064700e+00 -3.43166917e-01 4 -2.48317631e+00 2.37949215e+00 2.21201233e+00 5 2.16381425e-01 -6.35080388e+00 -2.63564340e+00 6 3.35985456e+00 1.12633779e+00 -4.15411171e+00 7 4.14656082e+00 -8.28940272e+00 -5.01407853e+00 8 -4.21097787e+00 -4.24682248e+00 3.29142404e+00 9 -4.49118955e+00 -3.25802645e+00 -6.77619405e+00 10 -1.41922290e+00 9.03784282e+00 -7.23045452e+00 11 -4.89687847e+00 -6.62136535e+00 4.63855381e+00 12 -4.56646867e+00 5.22659974e+00 2.29595812e+00 13 3.59737412e-01 -3.45926674e+00 -1.47813843e+01 14 2.87587674e+00 5.03990768e+00 -3.90385217e+00 15 1.22377354e+01 -4.03812267e+00 2.36214551e+00 16 1.71866228e+00 1.23495664e+01 4.19994489e+00 17 -6.72720042e+00 -3.44410760e+00 -2.25601877e+00 18 1.87713606e+00 6.07755617e+00 -6.55941076e+00 19 1.51916116e+00 -8.63110985e+00 5.14687661e+00 20 -4.39471373e+00 3.59968148e+00 4.55900398e+00 21 -4.38170433e+00 -4.68783625e+00 1.20435449e+00 22 6.30050437e+00 7.09022000e+00 4.99466725e+00 23 1.61209512e+00 -5.32907591e-01 2.57428939e+00 24 3.71327572e+00 2.71042174e+00 4.67807707e+00 25 -5.64377911e+00 -3.89378293e+00 -1.03840251e+00 26 -1.71346848e+00 8.72004355e+00 -3.74790901e+00 27 2.17268253e+00 -9.08855669e+00 6.71587031e+00 28 -7.48639227e+00 6.46124245e+00 3.27361588e+00 29 -8.84595219e-01 -6.30226635e+00 1.98453339e+00 30 3.91344597e+00 4.59690989e+00 1.52748024e+00 31 5.73835283e+00 -3.47932298e+00 4.04760614e+00 32 3.16459228e+00 5.95486420e+00 6.28799815e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -33.83254864862954 Forces: 1 -1.61087270e+00 -3.24204852e+00 -3.49586221e+00 2 -2.48096977e+00 1.77570997e+00 -4.05792273e+00 3 2.46555507e+00 -2.58064700e+00 -3.43166917e-01 4 -2.48317631e+00 2.37949215e+00 2.21201233e+00 5 2.16381425e-01 -6.35080388e+00 -2.63564340e+00 6 3.35985456e+00 1.12633779e+00 -4.15411171e+00 7 4.14656082e+00 -8.28940272e+00 -5.01407853e+00 8 -4.21097787e+00 -4.24682248e+00 3.29142404e+00 9 -4.49118955e+00 -3.25802645e+00 -6.77619405e+00 10 -1.41922290e+00 9.03784282e+00 -7.23045452e+00 11 -4.89687847e+00 -6.62136535e+00 4.63855381e+00 12 -4.56646867e+00 5.22659974e+00 2.29595812e+00 13 3.59737412e-01 -3.45926674e+00 -1.47813843e+01 14 2.87587674e+00 5.03990768e+00 -3.90385217e+00 15 1.22377354e+01 -4.03812267e+00 2.36214551e+00 16 1.71866228e+00 1.23495664e+01 4.19994489e+00 17 -6.72720042e+00 -3.44410760e+00 -2.25601877e+00 18 1.87713606e+00 6.07755617e+00 -6.55941076e+00 19 1.51916116e+00 -8.63110985e+00 5.14687661e+00 20 -4.39471373e+00 3.59968148e+00 4.55900398e+00 21 -4.38170433e+00 -4.68783625e+00 1.20435449e+00 22 6.30050437e+00 7.09022000e+00 4.99466725e+00 23 1.61209512e+00 -5.32907591e-01 2.57428939e+00 24 3.71327572e+00 2.71042174e+00 4.67807707e+00 25 -5.64377911e+00 -3.89378293e+00 -1.03840251e+00 26 -1.71346848e+00 8.72004355e+00 -3.74790901e+00 27 2.17268253e+00 -9.08855669e+00 6.71587031e+00 28 -7.48639227e+00 6.46124245e+00 3.27361588e+00 29 -8.84595219e-01 -6.30226635e+00 1.98453339e+00 30 3.91344597e+00 4.59690989e+00 1.52748024e+00 31 5.73835283e+00 -3.47932298e+00 4.04760614e+00 32 3.16459228e+00 5.95486420e+00 6.28799815e+00 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.