!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Dynamo_SunMendelevBecker_2006_Mg__MO_848345414202_005 Supported species : Mg random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Mg (Configuration in file "config-F-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 94.04207229876441 Forces: 1 -4.50790844e+00 -1.08738093e+01 -1.13292695e+01 2 -4.37319087e+00 6.91210414e+00 -9.47263151e+00 3 2.68111457e+00 -8.87335853e+00 -3.23958506e+00 4 -7.47595576e+00 8.79422172e+00 5.97455613e+00 5 5.63239959e+00 -1.30883817e+01 -1.88747699e+00 6 5.76409909e+00 -1.87383626e+00 -7.15961652e+00 7 3.36032396e+00 -1.80693488e+01 -1.52880318e+01 8 -1.35691526e+01 -1.41358252e+01 8.67645265e-01 9 -5.85296252e+00 -2.73800277e-01 -9.10301634e+00 10 -4.20640706e+00 9.86921198e+00 -1.17281132e+01 11 -3.02693936e+00 -6.91596053e+00 1.68733282e+00 12 -7.29697215e+00 8.59689877e+00 -1.13816638e+00 13 -3.16453467e+00 -1.81404657e-01 -2.53191254e+01 14 5.25705370e+00 5.03334231e+00 -3.48414741e+00 15 2.98787995e+01 8.24970100e+00 3.46412577e+00 16 3.73814782e+00 1.75533689e+01 8.10381192e+00 17 -8.92702107e+00 -3.03856789e+00 3.30767693e+00 18 1.39057133e+00 6.19678737e+00 1.72384281e-01 19 1.97085846e-01 -6.49456401e+00 7.77003671e+00 20 -4.08379641e+00 2.70894172e-01 3.35724699e+00 21 -2.46202306e+00 -8.69468101e+00 4.43243111e+00 22 1.36379931e+01 9.83590326e+00 1.24254185e+01 23 3.05562589e+00 -2.17511469e+00 4.68106111e+00 24 -3.30343800e-01 -4.42373966e-01 5.65103045e+00 25 -7.57106892e+00 -4.15293671e+00 6.17535923e+00 26 -2.63043158e+00 9.27128328e+00 -2.44222913e+00 27 6.85523782e+00 -1.53533221e+01 6.64590610e+00 28 -1.64421546e+01 1.38144938e+01 2.95870049e+00 29 -8.66637128e+00 -3.48768270e+00 2.55086108e+00 30 8.10153199e+00 9.47539502e+00 -1.57895694e+00 31 1.12661332e+01 -3.90841170e+00 1.38160037e+01 32 3.77111676e+00 8.15977444e+00 9.12877755e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mg (Configuration in file "config-T-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 94.04207229876441 Forces: 1 -4.50790844e+00 -1.08738093e+01 -1.13292695e+01 2 -4.37319087e+00 6.91210414e+00 -9.47263151e+00 3 2.68111457e+00 -8.87335853e+00 -3.23958506e+00 4 -7.47595576e+00 8.79422172e+00 5.97455613e+00 5 5.63239959e+00 -1.30883817e+01 -1.88747699e+00 6 5.76409909e+00 -1.87383626e+00 -7.15961652e+00 7 3.36032396e+00 -1.80693488e+01 -1.52880318e+01 8 -1.35691526e+01 -1.41358252e+01 8.67645265e-01 9 -5.85296252e+00 -2.73800277e-01 -9.10301634e+00 10 -4.20640706e+00 9.86921198e+00 -1.17281132e+01 11 -3.02693936e+00 -6.91596053e+00 1.68733282e+00 12 -7.29697215e+00 8.59689877e+00 -1.13816638e+00 13 -3.16453467e+00 -1.81404657e-01 -2.53191254e+01 14 5.25705370e+00 5.03334231e+00 -3.48414741e+00 15 2.98787995e+01 8.24970100e+00 3.46412577e+00 16 3.73814782e+00 1.75533689e+01 8.10381192e+00 17 -8.92702107e+00 -3.03856789e+00 3.30767693e+00 18 1.39057133e+00 6.19678737e+00 1.72384281e-01 19 1.97085846e-01 -6.49456401e+00 7.77003671e+00 20 -4.08379641e+00 2.70894172e-01 3.35724699e+00 21 -2.46202306e+00 -8.69468101e+00 4.43243111e+00 22 1.36379931e+01 9.83590326e+00 1.24254185e+01 23 3.05562589e+00 -2.17511469e+00 4.68106111e+00 24 -3.30343800e-01 -4.42373966e-01 5.65103045e+00 25 -7.57106892e+00 -4.15293671e+00 6.17535923e+00 26 -2.63043158e+00 9.27128328e+00 -2.44222913e+00 27 6.85523782e+00 -1.53533221e+01 6.64590610e+00 28 -1.64421546e+01 1.38144938e+01 2.95870049e+00 29 -8.66637128e+00 -3.48768270e+00 2.55086108e+00 30 8.10153199e+00 9.47539502e+00 -1.57895694e+00 31 1.12661332e+01 -3.90841170e+00 1.38160037e+01 32 3.77111676e+00 8.15977444e+00 9.12877755e+00 ERROR: Unable to perform verification check. Message = [Errno 12] Cannot allocate memory