Enter a model name: === Verification check vc-memory-leak start (2022-11-29 18:36:48) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouJohnsonWadley_2004NISTretabulation_Mg__MO_894868634445_000 Supported species : Mg random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Mg (Configuration in file "config-F-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 424.3819688329997 Forces: 1 -1.32135101e+01 -2.38859518e+01 -2.47723982e+01 2 -2.24361000e+01 3.52731757e+01 -3.12705122e+01 3 -2.85709434e+00 -3.35768635e+01 -3.43828381e+00 4 -1.95260873e+01 1.13750854e+01 1.15855565e+01 5 3.29361435e+01 -5.22396397e+01 -1.16310174e+01 6 1.33734143e+01 2.75024613e+00 -2.07454491e+01 7 1.85036436e+01 -7.28330795e+01 -6.44928655e+01 8 -2.14858354e+01 -2.43334529e+01 -1.16580362e+01 9 -2.64771844e+01 -3.78773831e+01 -6.41153196e+01 10 -2.95294023e+00 5.39876963e+01 -5.49200058e+01 11 -8.93280755e+00 -3.69457993e+01 2.29523905e+01 12 -4.01457129e+01 5.34684697e+01 2.91208928e+01 13 -1.18600159e+01 -2.83648165e+01 -1.04235499e+02 14 2.28601053e+01 2.77946300e+01 -1.93440319e+01 15 9.32732726e+01 -1.11735626e+01 2.34486350e+01 16 1.16653292e+01 7.51083330e+01 3.38512865e+01 17 -3.19385870e+01 -1.59530857e+01 -1.13704358e+01 18 -1.56033243e+01 2.06822745e+01 1.51210037e+01 19 1.37727831e+01 -2.74771988e+01 2.14718701e+01 20 -1.53440770e+01 1.95513142e+01 1.81531058e+01 21 -2.37723572e+01 -3.36663722e+01 2.09866745e+01 22 5.16132315e+01 5.41366538e+01 5.07330749e+01 23 1.29102526e+01 -6.55046197e+00 2.06046363e+01 24 6.55047191e+00 1.64340353e+00 1.93059003e+01 25 -2.90097242e+01 -8.70069503e+00 2.03435139e+01 26 -1.83813472e+01 4.86611171e+01 -2.25013057e+01 27 2.31337963e+01 -7.56121915e+01 2.78188346e+01 28 -6.75495260e+01 5.54342156e+01 1.24512406e+01 29 -1.66720846e+01 -2.36065248e+01 1.75572273e+01 30 2.52710273e+01 3.73631864e+01 2.96040559e+00 31 4.05212258e+01 -2.28986827e+01 3.46780066e+01 32 2.17736187e+01 3.84659603e+01 4.13509047e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mg (Configuration in file "config-T-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 424.3819688329997 Forces: 1 -1.32135101e+01 -2.38859518e+01 -2.47723982e+01 2 -2.24361000e+01 3.52731757e+01 -3.12705122e+01 3 -2.85709434e+00 -3.35768635e+01 -3.43828381e+00 4 -1.95260873e+01 1.13750854e+01 1.15855565e+01 5 3.29361435e+01 -5.22396397e+01 -1.16310174e+01 6 1.33734143e+01 2.75024613e+00 -2.07454491e+01 7 1.85036436e+01 -7.28330795e+01 -6.44928655e+01 8 -2.14858354e+01 -2.43334529e+01 -1.16580362e+01 9 -2.64771844e+01 -3.78773831e+01 -6.41153196e+01 10 -2.95294023e+00 5.39876963e+01 -5.49200058e+01 11 -8.93280755e+00 -3.69457993e+01 2.29523905e+01 12 -4.01457129e+01 5.34684697e+01 2.91208928e+01 13 -1.18600159e+01 -2.83648165e+01 -1.04235499e+02 14 2.28601053e+01 2.77946300e+01 -1.93440319e+01 15 9.32732726e+01 -1.11735626e+01 2.34486350e+01 16 1.16653292e+01 7.51083330e+01 3.38512865e+01 17 -3.19385870e+01 -1.59530857e+01 -1.13704358e+01 18 -1.56033243e+01 2.06822745e+01 1.51210037e+01 19 1.37727831e+01 -2.74771988e+01 2.14718701e+01 20 -1.53440770e+01 1.95513142e+01 1.81531058e+01 21 -2.37723572e+01 -3.36663722e+01 2.09866745e+01 22 5.16132315e+01 5.41366538e+01 5.07330749e+01 23 1.29102526e+01 -6.55046197e+00 2.06046363e+01 24 6.55047191e+00 1.64340353e+00 1.93059003e+01 25 -2.90097242e+01 -8.70069503e+00 2.03435139e+01 26 -1.83813472e+01 4.86611171e+01 -2.25013057e+01 27 2.31337963e+01 -7.56121915e+01 2.78188346e+01 28 -6.75495260e+01 5.54342156e+01 1.24512406e+01 29 -1.66720846e+01 -2.36065248e+01 1.75572273e+01 30 2.52710273e+01 3.73631864e+01 2.96040559e+00 31 4.05212258e+01 -2.28986827e+01 3.46780066e+01 32 2.17736187e+01 3.84659603e+01 4.13509047e+01 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed. === Verification check vc-memory-leak end (2022-11-29 18:37:06) ===