!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouDickelBaskes_2021_Bi__MO_221877348962_000 Supported species : Bi random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Bi (Configuration in file "config-F-Bi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 938.3963445420585 Forces: 1 -2.79742729e+01 -3.81397097e+01 -5.57957700e+01 2 -2.29834487e+01 5.83186351e+00 -5.71906080e+01 3 1.18410510e+01 -6.03684399e+01 -1.63409792e+01 4 -4.90931383e+01 3.87452609e+01 8.70505852e+00 5 1.27988989e+01 -5.57079764e+01 -3.37916939e+01 6 4.10192608e+01 -7.60134205e+00 -4.65893051e+01 7 3.25553292e+01 -7.52974635e+01 -3.38203866e+01 8 -2.28363319e+01 -3.46589130e+01 -1.71862285e+01 9 -3.68272392e+01 -2.37106240e+01 -5.19840748e+01 10 -1.46637618e+01 5.65306399e+01 -6.62927015e+01 11 -4.03711096e+01 -4.95964221e+01 -7.40998129e+00 12 -6.01508877e+01 5.38426293e+01 8.92821360e+00 13 8.29039934e+00 -5.85712059e+00 -1.18875980e+02 14 3.78587844e+01 3.16488462e+01 -3.18139734e+01 15 1.17056211e+02 5.48447191e-01 -6.41623299e+00 16 1.26995126e+01 1.15365456e+02 1.60157156e+01 17 -6.21164077e+01 -3.92575387e+01 6.49699378e+00 18 1.49733407e+01 2.75423268e+01 -1.88968071e+01 19 9.67480056e+00 -7.00089192e+01 6.34229611e+01 20 -5.80656300e+01 2.40348182e+01 3.76461003e+01 21 -1.57316603e+01 -7.11312291e+01 2.57503291e+01 22 8.51038190e+01 3.18536765e+01 3.61309189e+01 23 2.45853305e+01 -2.00783816e+01 3.50234240e+01 24 1.07644017e+01 -1.23624605e+01 5.51195360e+01 25 -8.08010841e+01 -8.57436471e+00 -1.56535454e+01 26 -1.79247654e+00 9.55501482e+01 -2.97573717e+00 27 9.76807454e+00 -6.38499840e+01 7.50336301e+01 28 -7.01705180e+01 6.33727839e+01 4.31611508e+01 29 -3.81036619e+00 -1.87123830e+01 3.51662450e+01 30 5.70570855e+01 5.58461736e+01 1.86142733e+01 31 5.07138551e+01 -3.21146937e+00 5.33651068e+01 32 3.06281782e+01 5.74116714e+01 6.24543481e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Bi (Configuration in file "config-T-Bi.xyz") ----------------------------------------------------------------------------------------------------- Energy = 938.3963445420585 Forces: 1 -2.79742729e+01 -3.81397097e+01 -5.57957700e+01 2 -2.29834487e+01 5.83186351e+00 -5.71906080e+01 3 1.18410510e+01 -6.03684399e+01 -1.63409792e+01 4 -4.90931383e+01 3.87452609e+01 8.70505852e+00 5 1.27988989e+01 -5.57079764e+01 -3.37916939e+01 6 4.10192608e+01 -7.60134205e+00 -4.65893051e+01 7 3.25553292e+01 -7.52974635e+01 -3.38203866e+01 8 -2.28363319e+01 -3.46589130e+01 -1.71862285e+01 9 -3.68272392e+01 -2.37106240e+01 -5.19840748e+01 10 -1.46637618e+01 5.65306399e+01 -6.62927015e+01 11 -4.03711096e+01 -4.95964221e+01 -7.40998129e+00 12 -6.01508877e+01 5.38426293e+01 8.92821360e+00 13 8.29039934e+00 -5.85712059e+00 -1.18875980e+02 14 3.78587844e+01 3.16488462e+01 -3.18139734e+01 15 1.17056211e+02 5.48447191e-01 -6.41623299e+00 16 1.26995126e+01 1.15365456e+02 1.60157156e+01 17 -6.21164077e+01 -3.92575387e+01 6.49699378e+00 18 1.49733407e+01 2.75423268e+01 -1.88968071e+01 19 9.67480056e+00 -7.00089192e+01 6.34229611e+01 20 -5.80656300e+01 2.40348182e+01 3.76461003e+01 21 -1.57316603e+01 -7.11312291e+01 2.57503291e+01 22 8.51038190e+01 3.18536765e+01 3.61309189e+01 23 2.45853305e+01 -2.00783816e+01 3.50234240e+01 24 1.07644017e+01 -1.23624605e+01 5.51195360e+01 25 -8.08010841e+01 -8.57436471e+00 -1.56535454e+01 26 -1.79247654e+00 9.55501482e+01 -2.97573717e+00 27 9.76807454e+00 -6.38499840e+01 7.50336301e+01 28 -7.01705180e+01 6.33727839e+01 4.31611508e+01 29 -3.81036619e+00 -1.87123830e+01 3.51662450e+01 30 5.70570855e+01 5.58461736e+01 1.86142733e+01 31 5.07138551e+01 -3.21146937e+00 5.33651068e+01 32 3.06281782e+01 5.74116714e+01 6.24543481e+01 ERROR: Unable to perform verification check. Message = [Errno 12] Cannot allocate memory