!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Mendelev_King_Cu__MO_748636486270_004 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 18.9467162382 Forces: 1 -7.24346228e+00 -6.92877774e+00 -1.43570980e+01 2 -9.44836001e+00 1.19704934e+01 -3.59385407e+00 3 1.39803801e+01 -1.19629341e+01 9.23309802e-01 4 -6.01742707e+00 1.21258354e+01 4.90713092e+00 5 3.45099787e+00 -1.77747663e+01 -2.72848854e-01 6 8.06983976e+00 6.25445668e+00 -5.37456324e+00 7 1.36612284e+01 -4.03409200e+01 -4.51486455e+01 8 -2.51184207e+01 -4.72605961e-01 -6.01815445e+00 9 -6.20190473e+00 -2.73169230e+01 -2.92709244e+01 10 5.71877005e+00 1.61890587e+01 -2.93080252e+01 11 -5.90822549e+00 -1.49559311e+01 7.41904250e+00 12 -2.25199804e+01 2.72445562e+01 3.14475921e+01 13 -1.85880746e+01 -1.78144378e+01 -5.62633321e+01 14 4.72442351e+00 5.78075307e+00 -2.81208061e+00 15 5.16057022e+01 -4.78654653e+00 1.55274133e+01 16 8.64138883e+00 3.52548870e+01 2.21632094e+01 17 -1.99099604e+01 -1.63987284e+01 -1.50385009e+01 18 9.33388510e+00 9.75194593e+00 -3.10071940e+00 19 8.07913065e+00 -1.14988973e+01 7.31653472e+00 20 -4.39424316e+00 1.88621262e+01 2.15684293e+01 21 -3.14117484e+01 -1.43461233e+01 1.37822234e+01 22 2.46538894e+01 2.47527959e+01 1.99129438e+01 23 1.32183567e+01 -4.11505104e-01 2.01145508e+01 24 -2.13924099e+00 -1.50993528e+00 2.93463303e+00 25 -1.05976754e+01 -6.68004328e+00 -6.50998052e+00 26 -7.79918747e+00 1.89535963e+01 -1.09093966e+01 27 2.84846605e+01 -4.95755866e+01 1.58626445e+01 28 -4.21027942e+01 3.99667226e+01 2.93833929e+00 29 -1.13426228e+01 -8.16205282e+00 1.04287315e+01 30 7.82592406e+00 1.65354155e+01 5.64153662e+00 31 1.85748161e+01 -6.93152196e+00 1.10987216e+01 32 1.07199349e+01 1.42255938e+01 1.39911371e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 96.1245739478 Forces: 1 1.13622372e+01 -1.22963994e+01 -1.01498517e+01 2 -1.96342949e+01 9.26428851e+00 1.03838034e+01 3 2.04744596e+01 4.29988089e+00 7.78396320e+00 4 -5.07274521e-01 1.38957258e+01 1.09231310e+00 5 9.09791164e+00 -8.52325013e+00 3.50512681e-01 6 -9.51026172e+00 3.11904904e+01 1.38493315e+01 7 1.22179023e+01 -3.91057734e+01 -4.64732975e+01 8 -2.60438054e+01 -5.85106565e-01 -5.78972040e+00 9 -2.63444571e+01 -4.24362771e+01 1.00908281e+01 10 -2.39948816e+00 1.01615736e+01 -2.06028393e+01 11 -6.23803021e+00 -1.65469549e+01 8.18110258e+00 12 -1.64337340e+01 7.23207369e+00 3.78355089e+01 13 -1.74113957e+01 -2.01880826e+01 -5.31190773e+01 14 -1.02550273e+01 4.85208968e+00 -9.91668391e+00 15 5.08845088e+01 -5.50078303e+00 1.57488495e+01 16 8.65945884e+00 3.34827509e+01 2.30023961e+01 17 4.08573614e+01 -6.54978017e+01 -4.29645874e+00 18 1.02208646e+01 1.05029039e+01 -3.26335714e+00 19 9.26671416e+00 2.70926375e+00 1.07325409e+01 20 3.61615110e+00 2.65888485e+01 1.78532010e+01 21 -3.46583344e+01 -7.86120280e+00 1.55884568e+01 22 -3.58211176e+01 7.43663517e+01 8.75467537e+00 23 2.11076269e+00 -1.69447274e+01 1.46234513e+00 24 8.21309871e+00 2.82126480e+00 -1.15878046e+01 25 -8.68681477e+00 -7.43704515e+00 -6.68088634e+00 26 -6.31659684e+00 9.91152874e+00 -1.72529161e+01 27 4.89478125e+01 -5.07914096e+01 -1.39905964e+01 28 -4.85256627e+01 4.60485644e+01 -1.11667493e+01 29 -1.15178923e+01 -9.22846067e+00 1.06890943e+01 30 1.08442299e+01 1.13012524e+01 5.20440368e+00 31 1.79873471e+01 -8.16998456e+00 1.02310587e+01 32 1.55433671e+01 1.24844075e+01 5.45585385e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==22499== Memcheck, a memory error detector ==22499== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==22499== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==22499== Command: python runner2.py EAM_Dynamo_Mendelev_King_Cu__MO_748636486270_004 ==22499== ==22499== ==22499== HEAP SUMMARY: ==22499== in use at exit: 4,106,750 bytes in 5,846 blocks ==22499== total heap usage: 46,138 allocs, 40,292 frees, 51,948,495 bytes allocated ==22499== ==22499== LEAK SUMMARY: ==22499== definitely lost: 0 bytes in 0 blocks ==22499== indirectly lost: 0 bytes in 0 blocks ==22499== possibly lost: 172,767 bytes in 105 blocks ==22499== still reachable: 3,933,983 bytes in 5,741 blocks ==22499== suppressed: 0 bytes in 0 blocks ==22499== Rerun with --leak-check=full to see details of leaked memory ==22499== ==22499== For counts of detected and suppressed errors, rerun with: -v ==22499== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2392 from 125) ================================================================================ 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.