!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 ----------------------------------------------------------------------------------------------------- Results for KIM Model : EAM_Dynamo_Ackland_W__MO_141627196590_004 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 = 231.603883359 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 = 517.199442668 Forces: 1 3.30373336e+01 -2.18589670e+01 1.37817230e+01 2 -2.92222610e+01 1.26505777e+01 2.05154615e+01 3 -1.24699121e+00 1.36317938e+01 1.44640862e+00 4 2.24324475e+01 2.82690408e+01 -2.39718222e+00 5 3.03075593e+01 -8.12208518e+00 -7.97901595e-01 6 -3.33782258e+01 3.93509437e+01 9.87103755e+00 7 -1.38206841e+01 -3.89151018e+01 -3.52542008e+01 8 -2.29448336e+01 -1.80189550e+01 -7.90235055e+00 9 -4.09192126e+01 -3.82282691e+01 1.02724705e+01 10 -1.09346919e+01 2.64418217e+01 -1.89597475e+01 11 -3.12028441e+01 -4.13565139e+01 2.78983850e+01 12 -6.73464209e+00 1.18718374e+01 1.57598262e+01 13 4.24907247e+01 -2.42121990e+01 -3.52087586e+01 14 -2.30509275e+01 -8.57299202e-01 -8.98990813e+00 15 2.75899056e+01 -2.31877811e+00 -2.40742820e+01 16 2.81324405e+01 3.55746883e+01 3.43786090e+01 17 1.06618953e+01 -2.59421311e+01 -1.11808962e+01 18 9.39661935e+00 2.33264283e+01 -4.48335976e+00 19 8.89818466e+00 -1.87489357e-01 1.20128300e+01 20 2.95313357e+01 4.38483230e+01 -1.12453378e+01 21 -2.27776780e+01 -6.90621888e+00 1.45556734e+01 22 -2.75438039e+00 4.48369049e+01 3.21232634e+01 23 -3.84415558e+01 -3.86329249e+01 -6.75593318e+00 24 2.65074691e+01 1.63394963e+01 -3.63459441e+01 25 -7.31372520e+00 -3.37268278e+01 -8.61127203e+00 26 1.70220081e+01 1.00986779e+01 -2.30781701e+01 27 2.46417017e+01 -4.85375839e+01 -1.14592128e+01 28 -4.28551926e+01 3.52639938e+01 -2.40886201e-02 29 -2.80429122e+01 -1.36566150e+01 2.02774834e+01 30 3.16894744e+00 2.01741171e+01 9.20473736e+00 31 1.69308442e+01 -2.31939791e+01 2.26245588e+01 32 2.48913413e+01 2.29932935e+01 2.04607804e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==10273== Memcheck, a memory error detector ==10273== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==10273== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==10273== Command: python runner2.py EAM_Dynamo_Ackland_W__MO_141627196590_004 ==10273== ==10273== ==10273== HEAP SUMMARY: ==10273== in use at exit: 4,106,375 bytes in 5,851 blocks ==10273== total heap usage: 42,095 allocs, 36,244 frees, 51,435,851 bytes allocated ==10273== ==10273== LEAK SUMMARY: ==10273== definitely lost: 0 bytes in 0 blocks ==10273== indirectly lost: 0 bytes in 0 blocks ==10273== possibly lost: 172,207 bytes in 104 blocks ==10273== still reachable: 3,934,168 bytes in 5,747 blocks ==10273== suppressed: 0 bytes in 0 blocks ==10273== Rerun with --leak-check=full to see details of leaked memory ==10273== ==10273== For counts of detected and suppressed errors, rerun with: -v ==10273== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2383 from 124) ================================================================================ To pass this verification check the number of bytes that are "definitely lost" or "indirectly lost" must be zero. NOTE that Valgrind will typically report non-zero "possibly lost" bytes due to Python's internal memory allocation and garbage collection that it does not monitor. Full Valgrind output written to auxiliary file "valgrind.out" Grade: P Comment: No memory leak detected.