Enter a model name: === Verification check vc-memory-leak start (2022-11-29 20:36:24) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LeeShimBaskes_2003_Al__MO_353977746962_000 Supported species : Al 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 = 81.72794706663856 Forces: 1 -4.14383669e+00 -9.14143553e+00 -9.45256631e+00 2 -4.45266033e+00 6.28396471e+00 -9.56192443e+00 3 4.38365976e+00 -1.65623398e+01 -7.07411891e+00 4 -1.04069671e+01 6.74890890e+00 3.14907808e+00 5 -1.75363377e+00 -1.53625023e+01 -3.97830413e+00 6 1.03081228e+01 5.44449438e+00 -1.06311085e+01 7 5.74578317e+00 -2.49827762e+01 -1.74281722e+01 8 -9.58145091e+00 -8.82057401e+00 -2.35460514e+00 9 -9.50698531e+00 -7.47403521e+00 -1.52537785e+01 10 -8.15833071e+00 2.22153309e+01 -2.78277056e+01 11 -6.00347636e+00 -1.83447699e+01 2.37122971e+00 12 -1.21482154e+01 1.60139301e+01 2.28443942e+00 13 -2.23420743e+00 -7.32804009e+00 -3.22320625e+01 14 7.71531853e+00 1.04174291e+01 -7.25562332e+00 15 2.95497638e+01 -6.47554888e+00 5.09154636e+00 16 1.32094637e+01 2.12288598e+01 1.27994173e+01 17 -1.50968476e+01 -8.69393633e+00 -3.78681621e+00 18 4.42846750e+00 9.48669170e+00 8.22373635e+00 19 6.80882377e+00 -9.16841547e+00 9.07237127e+00 20 -6.64260659e+00 8.15849068e+00 8.46207672e+00 21 -1.24293364e+01 -1.49762946e+01 4.34625260e+00 22 2.33064760e+01 2.15841621e+01 1.72635940e+01 23 1.21812673e+01 -7.39593566e+00 7.20676570e+00 24 -7.97780232e+00 8.13168343e+00 8.49534449e+00 25 -1.14267259e+01 -6.52042380e+00 5.71012506e+00 26 -6.55273355e+00 1.84225823e+01 -3.84545180e+00 27 9.42523342e+00 -2.96087603e+01 1.11535080e+01 28 -2.49373130e+01 2.16865494e+01 8.44888691e+00 29 -5.01348726e+00 -8.00737077e+00 5.68585711e+00 30 9.28678077e+00 1.45595262e+01 3.86335822e+00 31 1.44980669e+01 -7.39796884e+00 1.05637652e+01 32 7.61938910e+00 1.58785240e+01 1.64908851e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 81.72794706663856 Forces: 1 -4.14383669e+00 -9.14143553e+00 -9.45256631e+00 2 -4.45266033e+00 6.28396471e+00 -9.56192443e+00 3 4.38365976e+00 -1.65623398e+01 -7.07411891e+00 4 -1.04069671e+01 6.74890890e+00 3.14907808e+00 5 -1.75363377e+00 -1.53625023e+01 -3.97830413e+00 6 1.03081228e+01 5.44449438e+00 -1.06311085e+01 7 5.74578317e+00 -2.49827762e+01 -1.74281722e+01 8 -9.58145091e+00 -8.82057401e+00 -2.35460514e+00 9 -9.50698531e+00 -7.47403521e+00 -1.52537785e+01 10 -8.15833071e+00 2.22153309e+01 -2.78277056e+01 11 -6.00347636e+00 -1.83447699e+01 2.37122971e+00 12 -1.21482154e+01 1.60139301e+01 2.28443942e+00 13 -2.23420743e+00 -7.32804009e+00 -3.22320625e+01 14 7.71531853e+00 1.04174291e+01 -7.25562332e+00 15 2.95497638e+01 -6.47554888e+00 5.09154636e+00 16 1.32094637e+01 2.12288598e+01 1.27994173e+01 17 -1.50968476e+01 -8.69393633e+00 -3.78681621e+00 18 4.42846750e+00 9.48669170e+00 8.22373635e+00 19 6.80882377e+00 -9.16841547e+00 9.07237127e+00 20 -6.64260659e+00 8.15849068e+00 8.46207672e+00 21 -1.24293364e+01 -1.49762946e+01 4.34625260e+00 22 2.33064760e+01 2.15841621e+01 1.72635940e+01 23 1.21812673e+01 -7.39593566e+00 7.20676570e+00 24 -7.97780232e+00 8.13168343e+00 8.49534449e+00 25 -1.14267259e+01 -6.52042380e+00 5.71012506e+00 26 -6.55273355e+00 1.84225823e+01 -3.84545180e+00 27 9.42523342e+00 -2.96087603e+01 1.11535080e+01 28 -2.49373130e+01 2.16865494e+01 8.44888691e+00 29 -5.01348726e+00 -8.00737077e+00 5.68585711e+00 30 9.28678077e+00 1.45595262e+01 3.86335822e+00 31 1.44980669e+01 -7.39796884e+00 1.05637652e+01 32 7.61938910e+00 1.58785240e+01 1.64908851e+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 20:37:12) ===