Enter a model name: === Verification check vc-memory-leak start (2022-11-08 16:06:01) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_KimKimJung_2017_NiAlTi__MO_478967255435_001 Supported species : Al Ni Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 81.72794737182888 Forces: 1 -4.14383657e+00 -9.14143527e+00 -9.45256595e+00 2 -4.45266030e+00 6.28396479e+00 -9.56192445e+00 3 4.38365992e+00 -1.65623396e+01 -7.07411920e+00 4 -1.04069670e+01 6.74890864e+00 3.14907805e+00 5 -1.75363378e+00 -1.53625023e+01 -3.97830401e+00 6 1.03081227e+01 5.44449435e+00 -1.06311083e+01 7 5.74578352e+00 -2.49827755e+01 -1.74281719e+01 8 -9.58145040e+00 -8.82057405e+00 -2.35460565e+00 9 -9.50698550e+00 -7.47403507e+00 -1.52537788e+01 10 -8.15833052e+00 2.22153309e+01 -2.78277056e+01 11 -6.00347619e+00 -1.83447698e+01 2.37123008e+00 12 -1.21482154e+01 1.60139301e+01 2.28443945e+00 13 -2.23420794e+00 -7.32804018e+00 -3.22320623e+01 14 7.71531867e+00 1.04174294e+01 -7.25562353e+00 15 2.95497637e+01 -6.47554902e+00 5.09154684e+00 16 1.32094636e+01 2.12288593e+01 1.27994174e+01 17 -1.50968475e+01 -8.69393635e+00 -3.78681585e+00 18 4.42846721e+00 9.48669189e+00 8.22373614e+00 19 6.80882335e+00 -9.16841553e+00 9.07237118e+00 20 -6.64260649e+00 8.15849073e+00 8.46207680e+00 21 -1.24293363e+01 -1.49762947e+01 4.34625239e+00 22 2.33064756e+01 2.15841615e+01 1.72635935e+01 23 1.21812674e+01 -7.39593558e+00 7.20676580e+00 24 -7.97780229e+00 8.13168361e+00 8.49534474e+00 25 -1.14267256e+01 -6.52042404e+00 5.71012491e+00 26 -6.55273370e+00 1.84225824e+01 -3.84545173e+00 27 9.42523398e+00 -2.96087610e+01 1.11535080e+01 28 -2.49373135e+01 2.16865499e+01 8.44888674e+00 29 -5.01348722e+00 -8.00737054e+00 5.68585758e+00 30 9.28678084e+00 1.45595260e+01 3.86335789e+00 31 1.44980667e+01 -7.39796900e+00 1.05637649e+01 32 7.61938899e+00 1.58785239e+01 1.64908849e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 81.72794737182888 Forces: 1 -4.14383657e+00 -9.14143527e+00 -9.45256595e+00 2 -4.45266030e+00 6.28396479e+00 -9.56192445e+00 3 4.38365992e+00 -1.65623396e+01 -7.07411920e+00 4 -1.04069670e+01 6.74890864e+00 3.14907805e+00 5 -1.75363378e+00 -1.53625023e+01 -3.97830401e+00 6 1.03081227e+01 5.44449435e+00 -1.06311083e+01 7 5.74578352e+00 -2.49827755e+01 -1.74281719e+01 8 -9.58145040e+00 -8.82057405e+00 -2.35460565e+00 9 -9.50698550e+00 -7.47403507e+00 -1.52537788e+01 10 -8.15833052e+00 2.22153309e+01 -2.78277056e+01 11 -6.00347619e+00 -1.83447698e+01 2.37123008e+00 12 -1.21482154e+01 1.60139301e+01 2.28443945e+00 13 -2.23420794e+00 -7.32804018e+00 -3.22320623e+01 14 7.71531867e+00 1.04174294e+01 -7.25562353e+00 15 2.95497637e+01 -6.47554902e+00 5.09154684e+00 16 1.32094636e+01 2.12288593e+01 1.27994174e+01 17 -1.50968475e+01 -8.69393635e+00 -3.78681585e+00 18 4.42846721e+00 9.48669189e+00 8.22373614e+00 19 6.80882335e+00 -9.16841553e+00 9.07237118e+00 20 -6.64260649e+00 8.15849073e+00 8.46207680e+00 21 -1.24293363e+01 -1.49762947e+01 4.34625239e+00 22 2.33064756e+01 2.15841615e+01 1.72635935e+01 23 1.21812674e+01 -7.39593558e+00 7.20676580e+00 24 -7.97780229e+00 8.13168361e+00 8.49534474e+00 25 -1.14267256e+01 -6.52042404e+00 5.71012491e+00 26 -6.55273370e+00 1.84225824e+01 -3.84545173e+00 27 9.42523398e+00 -2.96087610e+01 1.11535080e+01 28 -2.49373135e+01 2.16865499e+01 8.44888674e+00 29 -5.01348722e+00 -8.00737054e+00 5.68585758e+00 30 9.28678084e+00 1.45595260e+01 3.86335789e+00 31 1.44980667e+01 -7.39796900e+00 1.05637649e+01 32 7.61938899e+00 1.58785239e+01 1.64908849e+01 ERROR: Unable to perform verification check. Message = === Verification check vc-memory-leak end (2022-11-08 16:06:03) ===