Enter a model name: === Verification check vc-memory-leak start (2022-11-29 18:39:01) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Pd__MO_066802556726_001 Supported species : Pd random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pd (Configuration in file "config-F-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 251.74218738680653 Forces: 1 -1.06429516e+01 -2.63975077e+01 -2.77536304e+01 2 -2.09625774e+01 2.84386589e+01 -1.36010289e+01 3 1.11125206e+01 -3.03048555e+01 -1.78499432e+01 4 -1.71481566e+01 1.33487922e+01 1.63142240e+01 5 1.76776742e+01 -4.20707818e+01 -3.95547082e+00 6 1.54508020e+01 9.87491518e+00 -1.49219810e+01 7 9.26479245e+00 -8.79198180e+01 -8.93866184e+01 8 -3.08213546e+01 -2.22703067e+01 -1.51241444e+01 9 -5.41877457e+01 -1.42461581e+01 -8.13467929e+01 10 -1.11211907e+01 4.99332819e+01 -5.33235439e+01 11 5.90562534e+01 -4.24296543e+01 4.42883467e+01 12 -3.23799313e+01 5.70223381e+01 -2.58219443e+00 13 -3.73234177e+01 -3.64397872e+01 -1.07861401e+02 14 1.94365618e+01 2.59570567e+01 -1.61306383e+01 15 1.00253411e+02 -1.23049357e+01 3.75411516e+01 16 8.01545476e+00 6.17200968e+01 4.24586607e+01 17 -3.20409419e+01 -1.36966722e+01 -1.39911111e+01 18 -1.45663680e+01 2.64425072e+01 1.60316546e+01 19 1.79981407e+01 -2.52137869e+01 1.90346012e+01 20 -1.26105321e+01 2.26009827e+01 1.71852570e+01 21 -3.01991000e+01 -2.87717890e+01 2.34377768e+01 22 5.31207146e+01 7.57314083e+01 6.96619353e+01 23 1.11637227e+01 -4.42418376e+00 1.79559622e+01 24 6.49790519e+00 3.41679774e+00 1.30449272e+01 25 -2.53782631e+01 -2.59692664e+01 5.20287104e+01 26 -2.00205987e+01 4.41272968e+01 -2.79676378e+01 27 4.60500282e+01 -1.02859547e+02 2.27114157e+01 28 -8.81787543e+01 7.55598510e+01 8.95844013e+00 29 -2.27645939e+01 -2.51083443e+01 1.04848444e+01 30 1.96835011e+01 3.55884269e+01 1.14138553e-01 31 4.18207484e+01 -2.80316370e+01 3.45797862e+01 32 2.37442460e+01 3.86966210e+01 3.99643033e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pd (Configuration in file "config-T-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 251.74218738680653 Forces: 1 -1.06429516e+01 -2.63975077e+01 -2.77536304e+01 2 -2.09625774e+01 2.84386589e+01 -1.36010289e+01 3 1.11125206e+01 -3.03048555e+01 -1.78499432e+01 4 -1.71481566e+01 1.33487922e+01 1.63142240e+01 5 1.76776742e+01 -4.20707818e+01 -3.95547082e+00 6 1.54508020e+01 9.87491518e+00 -1.49219810e+01 7 9.26479245e+00 -8.79198180e+01 -8.93866184e+01 8 -3.08213546e+01 -2.22703067e+01 -1.51241444e+01 9 -5.41877457e+01 -1.42461581e+01 -8.13467929e+01 10 -1.11211907e+01 4.99332819e+01 -5.33235439e+01 11 5.90562534e+01 -4.24296543e+01 4.42883467e+01 12 -3.23799313e+01 5.70223381e+01 -2.58219443e+00 13 -3.73234177e+01 -3.64397872e+01 -1.07861401e+02 14 1.94365618e+01 2.59570567e+01 -1.61306383e+01 15 1.00253411e+02 -1.23049357e+01 3.75411516e+01 16 8.01545476e+00 6.17200968e+01 4.24586607e+01 17 -3.20409419e+01 -1.36966722e+01 -1.39911111e+01 18 -1.45663680e+01 2.64425072e+01 1.60316546e+01 19 1.79981407e+01 -2.52137869e+01 1.90346012e+01 20 -1.26105321e+01 2.26009827e+01 1.71852570e+01 21 -3.01991000e+01 -2.87717890e+01 2.34377768e+01 22 5.31207146e+01 7.57314083e+01 6.96619353e+01 23 1.11637227e+01 -4.42418376e+00 1.79559622e+01 24 6.49790519e+00 3.41679774e+00 1.30449272e+01 25 -2.53782631e+01 -2.59692664e+01 5.20287104e+01 26 -2.00205987e+01 4.41272968e+01 -2.79676378e+01 27 4.60500282e+01 -1.02859547e+02 2.27114157e+01 28 -8.81787543e+01 7.55598510e+01 8.95844013e+00 29 -2.27645939e+01 -2.51083443e+01 1.04848444e+01 30 1.96835011e+01 3.55884269e+01 1.14138553e-01 31 4.18207484e+01 -2.80316370e+01 3.45797862e+01 32 2.37442460e+01 3.86966210e+01 3.99643033e+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 18:40:01) ===