Enter a model name: === Verification check vc-memory-leak start (2022-11-29 18:45:52) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LeeBaskesKim_2001_V__MO_868364924829_000 Supported species : V random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = V (Configuration in file "config-F-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = -47.28755534943047 Forces: 1 -2.11207460e+00 -4.74981436e+00 -4.24796680e+00 2 -4.79551284e+00 6.44526566e+00 -1.14545861e+01 3 3.28629326e-01 -9.02463453e+00 -2.56974137e-01 4 -7.90360942e+00 3.08847386e+00 2.25927832e+00 5 5.86379541e+00 -1.02736905e+01 -8.02103289e-01 6 4.63743620e+00 -2.83553203e+00 -5.63323127e+00 7 4.04520878e+00 -8.88461413e+00 -6.30471936e+00 8 -7.66025899e+00 -1.29074937e+01 -4.07594597e-01 9 -5.05496006e+00 -4.23457950e-01 -6.31820492e+00 10 -4.97169437e+00 1.08440590e+01 -1.03570815e+01 11 -7.73240960e+00 -7.29681962e+00 1.63946296e+00 12 -5.43720722e+00 4.35923876e+00 2.36136514e-01 13 3.17809301e+00 3.40424113e+00 -1.83418143e+01 14 3.80521987e+00 3.88233268e+00 -3.40521857e+00 15 2.02722947e+01 8.32784435e-01 -9.56099806e-02 16 1.72857536e+00 1.48940724e+01 1.20096111e+00 17 -8.22759501e+00 -5.97555860e+00 -1.48607475e-01 18 1.99304079e+00 4.75749143e+00 -2.31461685e+00 19 -8.23218695e-01 -7.27873312e+00 4.98992681e+00 20 -4.33305286e+00 1.88477301e+00 5.59818523e+00 21 -1.70733870e+00 -8.90049552e+00 1.79746835e+00 22 1.29536358e+01 3.02413022e+00 6.76569840e+00 23 1.91640732e+00 -9.20972112e-01 3.28217902e+00 24 3.07831432e+00 3.32853169e+00 6.41201144e+00 25 -7.83951714e+00 -1.68676922e+00 -2.67005476e+00 26 -3.92871865e+00 1.10544714e+01 1.92668896e+00 27 3.62886593e-01 -6.08211401e+00 9.45134416e+00 28 -7.11897705e+00 6.06926999e+00 4.64400545e+00 29 -1.72463699e+00 -3.48870968e+00 5.52564465e+00 30 6.92234039e+00 6.84154512e+00 9.94564716e-01 31 6.76603558e+00 -1.19695050e+00 7.67661297e+00 32 3.51886878e+00 7.21567885e+00 8.35821479e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = V (Configuration in file "config-T-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = -47.28755534943047 Forces: 1 -2.11207460e+00 -4.74981436e+00 -4.24796680e+00 2 -4.79551284e+00 6.44526566e+00 -1.14545861e+01 3 3.28629326e-01 -9.02463453e+00 -2.56974137e-01 4 -7.90360942e+00 3.08847386e+00 2.25927832e+00 5 5.86379541e+00 -1.02736905e+01 -8.02103289e-01 6 4.63743620e+00 -2.83553203e+00 -5.63323127e+00 7 4.04520878e+00 -8.88461413e+00 -6.30471936e+00 8 -7.66025899e+00 -1.29074937e+01 -4.07594597e-01 9 -5.05496006e+00 -4.23457950e-01 -6.31820492e+00 10 -4.97169437e+00 1.08440590e+01 -1.03570815e+01 11 -7.73240960e+00 -7.29681962e+00 1.63946296e+00 12 -5.43720722e+00 4.35923876e+00 2.36136514e-01 13 3.17809301e+00 3.40424113e+00 -1.83418143e+01 14 3.80521987e+00 3.88233268e+00 -3.40521857e+00 15 2.02722947e+01 8.32784435e-01 -9.56099806e-02 16 1.72857536e+00 1.48940724e+01 1.20096111e+00 17 -8.22759501e+00 -5.97555860e+00 -1.48607475e-01 18 1.99304079e+00 4.75749143e+00 -2.31461685e+00 19 -8.23218695e-01 -7.27873312e+00 4.98992681e+00 20 -4.33305286e+00 1.88477301e+00 5.59818523e+00 21 -1.70733870e+00 -8.90049552e+00 1.79746835e+00 22 1.29536358e+01 3.02413022e+00 6.76569840e+00 23 1.91640732e+00 -9.20972112e-01 3.28217902e+00 24 3.07831432e+00 3.32853169e+00 6.41201144e+00 25 -7.83951714e+00 -1.68676922e+00 -2.67005476e+00 26 -3.92871865e+00 1.10544714e+01 1.92668896e+00 27 3.62886593e-01 -6.08211401e+00 9.45134416e+00 28 -7.11897705e+00 6.06926999e+00 4.64400545e+00 29 -1.72463699e+00 -3.48870968e+00 5.52564465e+00 30 6.92234039e+00 6.84154512e+00 9.94564716e-01 31 6.76603558e+00 -1.19695050e+00 7.67661297e+00 32 3.51886878e+00 7.21567885e+00 8.35821479e+00 ERROR: Unable to perform verification check. Message = [Errno 12] Cannot allocate memory === Verification check vc-memory-leak end (2022-11-29 18:45:52) ===