Enter a model name: === Verification check vc-memory-leak start (2022-11-29 18:35:15) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_HanZepedaAckland_2003_W__MO_286137913440_000 Supported species : W random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = W (Configuration in file "config-F-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 231.6038833587833 Forces: 1 -1.39695119e+01 -1.98715667e+01 -2.29470740e+01 2 -1.15164949e+01 1.61865532e+01 -3.18531931e+01 3 6.10768946e+00 -3.32469681e+01 -3.37818161e-01 4 -2.29236827e+01 1.31480560e+01 7.53100454e+00 5 1.86904455e+01 -3.75111314e+01 -1.37947332e+01 6 1.40573445e+01 8.48673598e+00 -2.16438848e+01 7 2.12697442e+01 -4.80966132e+01 -3.49614454e+01 8 -2.33400030e+01 -1.55253878e+01 -9.78704808e+00 9 -3.37676696e+01 -1.74252627e+01 -4.68355383e+01 10 -3.59863121e+00 5.79520359e+01 -4.86366220e+01 11 -2.81151437e+01 -4.23270041e+01 2.92379761e+01 12 -3.61433985e+01 3.44406071e+01 1.14997518e+01 13 3.77442904e+01 -2.16127424e+01 -6.25582464e+01 14 1.06503902e+01 1.03800760e+01 -9.30422226e+00 15 5.18232737e+01 -6.24241123e+00 -2.53436111e+01 16 2.21984724e+01 6.16574356e+01 2.97299698e+01 17 -3.96744607e+01 -2.39803100e+01 -8.42375580e+00 18 1.03223941e+01 2.63815565e+01 -2.92933482e+00 19 1.35931596e+01 -3.64426705e+01 2.77795109e+01 20 -2.02390246e+01 1.99227455e+01 2.24970354e+01 21 -2.36409473e+01 -3.20198106e+01 1.28088064e+01 22 4.57098814e+01 2.90575343e+01 2.57779814e+01 23 1.41884729e+01 -8.21125404e+00 2.47564664e+01 24 5.59794064e+00 7.32095314e+00 2.02354783e+01 25 -3.64467375e+01 -2.74554058e+01 -7.27588909e+00 26 1.20584283e+01 5.08397929e+01 -2.10469075e+01 27 1.22909626e+01 -5.01728834e+01 3.76296867e+01 28 -4.81841500e+01 3.83893826e+01 2.81162507e+01 29 -2.80741207e+01 -1.60065682e+01 2.19190609e+01 30 2.64913524e+01 4.72702527e+01 3.61357735e+00 31 3.37139931e+01 -2.19453050e+01 3.28359954e+01 32 1.31257409e+01 3.66595777e+01 3.17107718e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = W (Configuration in file "config-T-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 231.6038833587833 Forces: 1 -1.39695119e+01 -1.98715667e+01 -2.29470740e+01 2 -1.15164949e+01 1.61865532e+01 -3.18531931e+01 3 6.10768946e+00 -3.32469681e+01 -3.37818161e-01 4 -2.29236827e+01 1.31480560e+01 7.53100454e+00 5 1.86904455e+01 -3.75111314e+01 -1.37947332e+01 6 1.40573445e+01 8.48673598e+00 -2.16438848e+01 7 2.12697442e+01 -4.80966132e+01 -3.49614454e+01 8 -2.33400030e+01 -1.55253878e+01 -9.78704808e+00 9 -3.37676696e+01 -1.74252627e+01 -4.68355383e+01 10 -3.59863121e+00 5.79520359e+01 -4.86366220e+01 11 -2.81151437e+01 -4.23270041e+01 2.92379761e+01 12 -3.61433985e+01 3.44406071e+01 1.14997518e+01 13 3.77442904e+01 -2.16127424e+01 -6.25582464e+01 14 1.06503902e+01 1.03800760e+01 -9.30422226e+00 15 5.18232737e+01 -6.24241123e+00 -2.53436111e+01 16 2.21984724e+01 6.16574356e+01 2.97299698e+01 17 -3.96744607e+01 -2.39803100e+01 -8.42375580e+00 18 1.03223941e+01 2.63815565e+01 -2.92933482e+00 19 1.35931596e+01 -3.64426705e+01 2.77795109e+01 20 -2.02390246e+01 1.99227455e+01 2.24970354e+01 21 -2.36409473e+01 -3.20198106e+01 1.28088064e+01 22 4.57098814e+01 2.90575343e+01 2.57779814e+01 23 1.41884729e+01 -8.21125404e+00 2.47564664e+01 24 5.59794064e+00 7.32095314e+00 2.02354783e+01 25 -3.64467375e+01 -2.74554058e+01 -7.27588909e+00 26 1.20584283e+01 5.08397929e+01 -2.10469075e+01 27 1.22909626e+01 -5.01728834e+01 3.76296867e+01 28 -4.81841500e+01 3.83893826e+01 2.81162507e+01 29 -2.80741207e+01 -1.60065682e+01 2.19190609e+01 30 2.64913524e+01 4.72702527e+01 3.61357735e+00 31 3.37139931e+01 -2.19453050e+01 3.28359954e+01 32 1.31257409e+01 3.66595777e+01 3.17107718e+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 18:35:36) ===