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 : EDIP_BelkoGusakovDorozhkin_2010_Ge__MO_129433059219_001 Supported species : Ge random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ge (Configuration in file "config-F-Ge.xyz") ----------------------------------------------------------------------------------------------------- Energy = 313.101498704173 Forces: 1 -9.56636227e+00 -1.14422155e+01 -9.26113141e+00 2 -7.17530462e+00 -1.12899959e+01 -3.81689916e+01 3 -1.30510700e+01 -3.55698957e+01 -8.86204363e-01 4 -1.64837570e+01 -2.07348377e+00 -7.21877847e+00 5 4.66284561e+00 -2.88113753e+01 -2.66580111e+01 6 1.42781574e+01 -1.55051006e-01 -1.69149752e+01 7 3.74223821e+01 -4.66339951e+01 -3.24440532e+00 8 -3.50929464e+00 -1.83909744e+01 -3.40061667e+01 9 -2.57003950e+01 -1.58621562e+00 -3.10630710e+01 10 -8.38102926e+00 3.86756408e+01 -4.22179775e+01 11 -8.03538613e+00 1.50386966e+01 -2.03434336e+01 12 -1.95978827e+01 1.60864288e+01 -2.65971799e+00 13 1.65759535e+00 1.67199701e+01 -3.44546124e+01 14 1.20628595e+01 7.94763891e+00 -1.17722704e+01 15 3.85572671e+01 1.00749830e+01 -1.52773824e+01 16 2.39223528e+01 3.28465857e+01 -1.64281564e+01 17 -2.37939407e+01 -8.24607659e+00 9.82968641e-01 18 -2.72690660e+01 -1.19789400e+01 3.16980612e+01 19 1.19591088e-01 -2.31651691e+01 1.15697739e+01 20 -1.47403741e+01 -2.81894213e+00 1.80865078e+01 21 1.32308374e+01 -3.31374527e+01 1.31049273e+01 22 3.35948967e+01 -1.25202815e+01 9.30514987e+00 23 6.94272672e+00 -8.18618879e+00 1.13153026e+01 24 -4.52796611e-01 -6.10772584e+00 3.62679076e+01 25 -4.79576295e+01 -9.28541286e+00 1.90179386e+01 26 -2.47048481e+01 4.74980412e+01 1.26021627e+01 27 -1.48860225e+01 6.71934110e+00 3.53978681e+01 28 -1.08164625e+01 1.08965071e+01 8.04539610e+00 29 6.01618397e+00 1.68544483e+01 1.27266449e+01 30 2.71389546e+01 3.39797646e+01 1.22352153e+01 31 4.27014709e+01 4.18525425e-01 4.44986569e+01 32 1.38135005e+01 1.76428202e+01 3.37208041e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ge (Configuration in file "config-T-Ge.xyz") ----------------------------------------------------------------------------------------------------- Energy = 313.101498704173 Forces: 1 -9.56636227e+00 -1.14422155e+01 -9.26113141e+00 2 -7.17530462e+00 -1.12899959e+01 -3.81689916e+01 3 -1.30510700e+01 -3.55698957e+01 -8.86204363e-01 4 -1.64837570e+01 -2.07348377e+00 -7.21877847e+00 5 4.66284561e+00 -2.88113753e+01 -2.66580111e+01 6 1.42781574e+01 -1.55051006e-01 -1.69149752e+01 7 3.74223821e+01 -4.66339951e+01 -3.24440532e+00 8 -3.50929464e+00 -1.83909744e+01 -3.40061667e+01 9 -2.57003950e+01 -1.58621562e+00 -3.10630710e+01 10 -8.38102926e+00 3.86756408e+01 -4.22179775e+01 11 -8.03538613e+00 1.50386966e+01 -2.03434336e+01 12 -1.95978827e+01 1.60864288e+01 -2.65971799e+00 13 1.65759535e+00 1.67199701e+01 -3.44546124e+01 14 1.20628595e+01 7.94763891e+00 -1.17722704e+01 15 3.85572671e+01 1.00749830e+01 -1.52773824e+01 16 2.39223528e+01 3.28465857e+01 -1.64281564e+01 17 -2.37939407e+01 -8.24607659e+00 9.82968641e-01 18 -2.72690660e+01 -1.19789400e+01 3.16980612e+01 19 1.19591088e-01 -2.31651691e+01 1.15697739e+01 20 -1.47403741e+01 -2.81894213e+00 1.80865078e+01 21 1.32308374e+01 -3.31374527e+01 1.31049273e+01 22 3.35948967e+01 -1.25202815e+01 9.30514987e+00 23 6.94272672e+00 -8.18618879e+00 1.13153026e+01 24 -4.52796611e-01 -6.10772584e+00 3.62679076e+01 25 -4.79576295e+01 -9.28541286e+00 1.90179386e+01 26 -2.47048481e+01 4.74980412e+01 1.26021627e+01 27 -1.48860225e+01 6.71934110e+00 3.53978681e+01 28 -1.08164625e+01 1.08965071e+01 8.04539610e+00 29 6.01618397e+00 1.68544483e+01 1.27266449e+01 30 2.71389546e+01 3.39797646e+01 1.22352153e+01 31 4.27014709e+01 4.18525425e-01 4.44986569e+01 32 1.38135005e+01 1.76428202e+01 3.37208041e+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 18:36:51) ===