!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_EtesamiAsadi_2018_Cu__MO_227887284491_001 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 21.253917459940425 Forces: 1 -1.28398314e+01 -2.10924449e+01 -3.81906833e+01 2 -4.62221344e+00 8.10185107e+00 -5.64392257e+00 3 3.64591103e+01 -2.53876097e+01 2.03146991e+01 4 -2.75306255e+01 4.38428334e+01 1.75328255e+01 5 3.38095608e+00 -1.23180790e+01 -4.83219492e-01 6 4.13013567e+00 4.33455766e+00 -3.96251546e+00 7 -2.11099335e+00 -6.15411347e+01 -5.99732071e+01 8 -7.43492879e+00 -2.42436161e+01 -7.43941720e+00 9 -1.10235922e+00 -2.01374710e+01 -1.96158927e+01 10 -6.74639264e+00 1.30012953e+01 -1.74818777e+01 11 -8.41865907e+00 -1.34612933e+01 1.01804364e+00 12 -9.92266568e+00 2.01019529e+01 1.83469540e+01 13 -1.25397216e+01 -1.09092744e+01 -4.52969305e+01 14 4.67564012e+00 7.56360595e+00 -5.26182870e+00 15 4.25824887e+01 -1.40286166e+01 9.76492831e+00 16 5.02080113e+00 2.98707881e+01 1.23928298e+01 17 -1.13504372e+01 -5.08040474e+00 -6.92692433e+00 18 -8.94711771e+00 5.60288939e+00 -2.10453772e+01 19 8.29579125e+00 -1.33807686e+01 8.75370262e+00 20 -7.10290383e+00 1.01467924e+01 5.70823376e+00 21 -6.89582142e+00 -8.47985589e+00 -2.46971017e+00 22 1.59726715e+01 6.17677225e+01 5.72993633e+01 23 3.63831904e+00 -1.05575165e+00 5.93627628e+00 24 1.36804984e+01 3.76220888e+00 2.02859500e+01 25 -3.97931880e+00 6.03931666e-01 5.43682955e+00 26 -3.79836758e+00 9.01844997e+00 -8.83282993e+00 27 3.79556168e+01 -5.06204880e+01 5.78254480e+00 28 -4.88891985e+01 4.20290185e+01 3.67231601e+00 29 -8.37300734e+00 2.48154066e+00 3.10894303e+01 30 6.27012374e+00 1.27884624e+01 1.01716471e+01 31 5.62635809e+00 -4.29622356e+00 3.43529732e-01 32 4.91605217e+00 1.10151316e+01 8.77423243e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 21.253917459940425 Forces: 1 -1.28398314e+01 -2.10924449e+01 -3.81906833e+01 2 -4.62221344e+00 8.10185107e+00 -5.64392257e+00 3 3.64591103e+01 -2.53876097e+01 2.03146991e+01 4 -2.75306255e+01 4.38428334e+01 1.75328255e+01 5 3.38095608e+00 -1.23180790e+01 -4.83219492e-01 6 4.13013567e+00 4.33455766e+00 -3.96251546e+00 7 -2.11099335e+00 -6.15411347e+01 -5.99732071e+01 8 -7.43492879e+00 -2.42436161e+01 -7.43941720e+00 9 -1.10235922e+00 -2.01374710e+01 -1.96158927e+01 10 -6.74639264e+00 1.30012953e+01 -1.74818777e+01 11 -8.41865907e+00 -1.34612933e+01 1.01804364e+00 12 -9.92266568e+00 2.01019529e+01 1.83469540e+01 13 -1.25397216e+01 -1.09092744e+01 -4.52969305e+01 14 4.67564012e+00 7.56360595e+00 -5.26182870e+00 15 4.25824887e+01 -1.40286166e+01 9.76492831e+00 16 5.02080113e+00 2.98707881e+01 1.23928298e+01 17 -1.13504372e+01 -5.08040474e+00 -6.92692433e+00 18 -8.94711771e+00 5.60288939e+00 -2.10453772e+01 19 8.29579125e+00 -1.33807686e+01 8.75370262e+00 20 -7.10290383e+00 1.01467924e+01 5.70823376e+00 21 -6.89582142e+00 -8.47985589e+00 -2.46971017e+00 22 1.59726715e+01 6.17677225e+01 5.72993633e+01 23 3.63831904e+00 -1.05575165e+00 5.93627628e+00 24 1.36804984e+01 3.76220888e+00 2.02859500e+01 25 -3.97931880e+00 6.03931666e-01 5.43682955e+00 26 -3.79836758e+00 9.01844997e+00 -8.83282993e+00 27 3.79556168e+01 -5.06204880e+01 5.78254480e+00 28 -4.88891985e+01 4.20290185e+01 3.67231601e+00 29 -8.37300734e+00 2.48154066e+00 3.10894303e+01 30 6.27012374e+00 1.27884624e+01 1.01716471e+01 31 5.62635809e+00 -4.29622356e+00 3.43529732e-01 32 4.91605217e+00 1.10151316e+01 8.77423243e+00 ERROR: Unable to perform verification check. Message = Failed to run valgrind; check that it is installed.