!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AdamsFoilesWolfer_1989Universal6_Cu__MO_145873824897_000 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 = -4.004655179522558 Forces: 1 -2.57801027e+00 -6.10568135e+00 -6.49275542e+00 2 -8.11412610e+00 1.21508609e+01 -7.74670143e+00 3 5.76390157e-01 -8.14609965e+00 -1.55436758e+00 4 -3.63522544e+00 3.79728678e+00 3.77607202e+00 5 1.00987519e+01 -1.57971398e+01 -1.35633257e+00 6 2.70294042e+00 1.52216467e+00 -4.84540492e+00 7 3.66693655e+00 -2.12489201e+01 -2.00088445e+01 8 -7.63250252e+00 -8.90998448e+00 8.24817335e-01 9 -9.56977677e+00 -5.52572078e+00 -1.38981932e+01 10 -3.58330500e+00 1.58189584e+01 -1.54768584e+01 11 -2.34956903e+00 -1.25024868e+01 1.01871188e+01 12 -7.32661481e+00 1.30194432e+01 -1.39221075e-01 13 -3.71893136e+00 -7.21605452e+00 -3.29371124e+01 14 5.13157145e+00 6.93831999e+00 -4.19995323e+00 15 2.80092872e+01 -3.65847047e+00 9.08305907e+00 16 3.78024286e+00 2.13785261e+01 1.16337539e+01 17 -8.15243924e+00 -3.23597254e+00 -3.43827124e+00 18 -2.87513590e+00 7.48488488e+00 3.27128681e+00 19 4.43024194e+00 -6.36169282e+00 4.90159342e+00 20 -2.69288809e+00 5.91216726e+00 3.76445738e+00 21 -8.13452942e+00 -7.90777869e+00 6.32242927e+00 22 1.27951432e+01 1.81928174e+01 1.57449539e+01 23 2.31791679e+00 -7.26510032e-01 4.30102132e+00 24 1.86162991e+00 7.96525666e-01 3.30453533e+00 25 -5.18822659e+00 -7.70538125e+00 9.66543120e+00 26 -5.37760762e+00 1.30067769e+01 -7.57442288e+00 27 7.99461015e+00 -2.45857392e+01 6.83648793e+00 28 -1.97004069e+01 1.64097649e+01 2.48649414e+00 29 -5.83743425e+00 -9.47762839e+00 3.15749047e+00 30 5.48452164e+00 9.70822457e+00 2.78162782e-01 31 1.10241042e+01 -7.60380488e+00 9.07064133e+00 32 6.59244082e+00 1.05783442e+01 1.10586324e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -4.004655179522558 Forces: 1 -2.57801027e+00 -6.10568135e+00 -6.49275542e+00 2 -8.11412610e+00 1.21508609e+01 -7.74670143e+00 3 5.76390157e-01 -8.14609965e+00 -1.55436758e+00 4 -3.63522544e+00 3.79728678e+00 3.77607202e+00 5 1.00987519e+01 -1.57971398e+01 -1.35633257e+00 6 2.70294042e+00 1.52216467e+00 -4.84540492e+00 7 3.66693655e+00 -2.12489201e+01 -2.00088445e+01 8 -7.63250252e+00 -8.90998448e+00 8.24817335e-01 9 -9.56977677e+00 -5.52572078e+00 -1.38981932e+01 10 -3.58330500e+00 1.58189584e+01 -1.54768584e+01 11 -2.34956903e+00 -1.25024868e+01 1.01871188e+01 12 -7.32661481e+00 1.30194432e+01 -1.39221075e-01 13 -3.71893136e+00 -7.21605452e+00 -3.29371124e+01 14 5.13157145e+00 6.93831999e+00 -4.19995323e+00 15 2.80092872e+01 -3.65847047e+00 9.08305907e+00 16 3.78024286e+00 2.13785261e+01 1.16337539e+01 17 -8.15243924e+00 -3.23597254e+00 -3.43827124e+00 18 -2.87513590e+00 7.48488488e+00 3.27128681e+00 19 4.43024194e+00 -6.36169282e+00 4.90159342e+00 20 -2.69288809e+00 5.91216726e+00 3.76445738e+00 21 -8.13452942e+00 -7.90777869e+00 6.32242927e+00 22 1.27951432e+01 1.81928174e+01 1.57449539e+01 23 2.31791679e+00 -7.26510032e-01 4.30102132e+00 24 1.86162991e+00 7.96525666e-01 3.30453533e+00 25 -5.18822659e+00 -7.70538125e+00 9.66543120e+00 26 -5.37760762e+00 1.30067769e+01 -7.57442288e+00 27 7.99461015e+00 -2.45857392e+01 6.83648793e+00 28 -1.97004069e+01 1.64097649e+01 2.48649414e+00 29 -5.83743425e+00 -9.47762839e+00 3.15749047e+00 30 5.48452164e+00 9.70822457e+00 2.78162782e-01 31 1.10241042e+01 -7.60380488e+00 9.07064133e+00 32 6.59244082e+00 1.05783442e+01 1.10586324e+01 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.