Enter a model name: === Verification check vc-memory-leak start (2022-11-29 18:35:35) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_002 Supported species : Fe random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 133.7361261293032 Forces: 1 -1.08679005e+01 -1.51194818e+01 -2.02208239e+01 2 -1.22736031e+01 2.47149496e+01 -8.85311066e+00 3 7.47604122e+00 -2.96034595e+01 -2.58590492e+00 4 -1.86805491e+01 1.25207821e+01 8.80094597e+00 5 3.02803420e+01 -2.28620138e+01 -1.14368837e+01 6 2.47742549e+00 4.77706008e+00 -9.94354405e+00 7 7.80682436e+00 -4.79258898e+01 -3.90371435e+01 8 -3.10425549e+01 -3.10160135e+01 -8.86635285e+00 9 -2.31071628e+01 -2.60381065e+01 -3.21064885e+01 10 5.75860468e+00 4.30446800e+01 -4.64159682e+01 11 1.28182975e+00 -2.74923043e+01 1.48702494e+01 12 -2.90559765e+01 2.14581168e+01 1.78217648e+01 13 -1.71539384e+01 -3.85383770e+01 -8.55953543e+01 14 2.70368866e+01 3.57610498e+01 -2.16420187e+01 15 7.06383321e+01 -3.56395459e+01 1.64453159e+01 16 6.45804125e-01 6.93542953e+01 4.00015699e+01 17 -4.32856053e+01 -2.08027651e+01 -2.03806499e+01 18 1.75752512e+01 4.33161879e+01 2.00780054e+00 19 2.56574147e+01 -3.67114527e+01 2.94400382e+01 20 -1.34475106e+01 2.80290784e+01 2.11107201e+01 21 -3.47632991e+01 -3.49086484e+01 -1.11238154e+01 22 4.87203846e+01 4.36350947e+01 3.51291337e+01 23 3.11780043e+01 -1.45448369e+01 1.83423908e+01 24 -1.94192059e+01 3.21003856e+01 2.04652477e+01 25 -4.29662295e+01 -2.39821392e+01 -5.61695063e-01 26 -2.01577717e+00 5.01011491e+01 -2.60326241e+01 27 2.45071716e+01 -5.59928911e+01 3.11188736e+01 28 -4.16450998e+01 3.79081853e+01 1.29004962e+01 29 -1.29834683e+01 -2.51049525e+01 1.79241914e+01 30 1.72280034e+01 3.97237840e+01 -1.60508686e-01 31 2.48190207e+01 -2.86273182e+01 2.78015032e+01 32 9.62054019e+00 2.84653975e+01 3.07826450e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 133.7361261293032 Forces: 1 -1.08679005e+01 -1.51194818e+01 -2.02208239e+01 2 -1.22736031e+01 2.47149496e+01 -8.85311066e+00 3 7.47604122e+00 -2.96034595e+01 -2.58590492e+00 4 -1.86805491e+01 1.25207821e+01 8.80094597e+00 5 3.02803420e+01 -2.28620138e+01 -1.14368837e+01 6 2.47742549e+00 4.77706008e+00 -9.94354405e+00 7 7.80682436e+00 -4.79258898e+01 -3.90371435e+01 8 -3.10425549e+01 -3.10160135e+01 -8.86635285e+00 9 -2.31071628e+01 -2.60381065e+01 -3.21064885e+01 10 5.75860468e+00 4.30446800e+01 -4.64159682e+01 11 1.28182975e+00 -2.74923043e+01 1.48702494e+01 12 -2.90559765e+01 2.14581168e+01 1.78217648e+01 13 -1.71539384e+01 -3.85383770e+01 -8.55953543e+01 14 2.70368866e+01 3.57610498e+01 -2.16420187e+01 15 7.06383321e+01 -3.56395459e+01 1.64453159e+01 16 6.45804125e-01 6.93542953e+01 4.00015699e+01 17 -4.32856053e+01 -2.08027651e+01 -2.03806499e+01 18 1.75752512e+01 4.33161879e+01 2.00780054e+00 19 2.56574147e+01 -3.67114527e+01 2.94400382e+01 20 -1.34475106e+01 2.80290784e+01 2.11107201e+01 21 -3.47632991e+01 -3.49086484e+01 -1.11238154e+01 22 4.87203846e+01 4.36350947e+01 3.51291337e+01 23 3.11780043e+01 -1.45448369e+01 1.83423908e+01 24 -1.94192059e+01 3.21003856e+01 2.04652477e+01 25 -4.29662295e+01 -2.39821392e+01 -5.61695063e-01 26 -2.01577717e+00 5.01011491e+01 -2.60326241e+01 27 2.45071716e+01 -5.59928911e+01 3.11188736e+01 28 -4.16450998e+01 3.79081853e+01 1.29004962e+01 29 -1.29834683e+01 -2.51049525e+01 1.79241914e+01 30 1.72280034e+01 3.97237840e+01 -1.60508686e-01 31 2.48190207e+01 -2.86273182e+01 2.78015032e+01 32 9.62054019e+00 2.84653975e+01 3.07826450e+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 18:36:16) === Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26