!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_CubicNaturalSpline_Angelo_Moody_Ni__MO_800536961967_001 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -44.3902221922 Forces: 1 -1.15710073e+00 -3.64946084e+00 -3.52754484e+00 2 -2.83889606e+00 5.01519572e+00 -3.49736847e+00 3 2.52721006e+00 -7.70698358e+00 -4.06551508e+00 4 -3.95938726e+00 3.67500178e+00 1.99760225e+00 5 2.83675353e+00 -7.10619699e+00 -1.72049568e+00 6 1.50223478e+00 1.85336211e+00 -2.48924447e+00 7 5.32542486e+00 -1.09175529e+01 -8.77367618e+00 8 -6.23032300e+00 -5.70348320e+00 -2.42027394e+00 9 -4.16258797e+00 -4.59214156e+00 -7.66595393e+00 10 -1.57076935e+00 9.09543706e+00 -9.21227298e+00 11 -4.32072237e+00 -6.36343779e+00 1.24272942e+00 12 -5.06798637e+00 5.86257155e+00 3.37487433e+00 13 -1.61720139e+00 -6.85157980e+00 -1.72597526e+01 14 3.59312189e+00 4.76263294e+00 -3.00653146e+00 15 1.63209043e+01 -4.63022986e+00 7.47668978e-01 16 1.95242699e+00 1.54558746e+01 4.52434263e+00 17 -8.47951605e+00 -3.71923146e+00 -1.70009303e+00 18 2.15692615e+00 6.32203205e+00 5.29760664e+00 19 4.24916635e+00 -3.92204210e+00 4.23935890e+00 20 -1.83090458e+00 4.65440661e+00 2.89254124e+00 21 -6.58017750e+00 -6.14845570e+00 3.22780702e+00 22 9.37315352e+00 8.64794277e+00 6.43500083e+00 23 3.32447502e+00 -1.82255979e+00 3.42510709e+00 24 -3.50704462e+00 1.22885923e+00 2.17375128e+00 25 -8.02497293e+00 -5.57182896e+00 -2.87275083e+00 26 -2.49651190e+00 1.15288206e+01 -5.09148704e+00 27 3.67785361e+00 -1.35869045e+01 8.19234474e+00 28 -9.25515346e+00 8.69201245e+00 4.51589950e+00 29 -3.76370850e+00 -6.30254744e+00 5.49933545e+00 30 5.07113028e+00 7.82178702e+00 2.06825345e+00 31 8.76009785e+00 -3.52907020e+00 5.42130876e+00 32 4.19208481e+00 7.50777022e+00 8.02742798e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -26.0644007036 Forces: 1 9.67630834e+00 -7.59799490e+00 2.94709917e+00 2 -6.68468585e+00 5.22594138e+00 3.97608279e+00 3 1.81538348e+00 1.75273397e-01 -3.53768765e+00 4 7.13055908e+00 7.18619798e+00 -6.05482136e-01 5 6.09956397e+00 -6.65845846e-01 -6.33079313e-01 6 1.42850252e+03 1.41287373e+03 1.38312512e+03 7 -1.07048627e+00 -1.03205481e+01 -9.41201531e+00 8 -6.32676196e+00 -5.93547469e+00 -2.56123535e+00 9 5.69558119e+01 -8.83208966e+00 -1.39633296e+02 10 -5.65937470e+00 4.62186306e+00 -3.33346524e+00 11 -1.12156254e+03 -3.23465928e+03 -1.03727820e+02 12 1.11970484e+03 3.23020989e+03 1.09528694e+02 13 -1.30750241e+00 -8.01981554e+00 -1.32906046e+01 14 -4.69165299e+00 3.54585638e+00 -6.53106366e+00 15 1.28799002e+01 -4.80652997e+00 1.09768092e+00 16 3.18346690e+00 1.11025086e+01 5.26680740e+00 17 3.58833086e+00 -7.35539096e+00 -2.16518855e+00 18 -3.58486237e+03 2.35366092e+03 2.39923588e+03 19 5.11212599e+01 -2.20761397e+03 -7.73229247e+02 20 8.89300924e+00 1.35564510e+01 -3.70621768e+00 21 -6.79465439e+00 -1.53385227e+00 3.80965773e+00 22 -1.27669442e+00 1.39219974e+01 8.62910305e+00 23 -8.77505700e+00 -1.31251921e+01 -3.71502814e+00 24 3.53892262e+03 -1.33024560e+02 -1.62448013e+03 25 -4.28961074e+00 -6.97645079e+00 -2.54365534e+00 26 -1.43834411e+03 -1.39817642e+03 -1.38328097e+03 27 8.51207202e+00 -1.48112951e+01 -1.91102967e+00 28 -1.12138133e+01 9.76697030e+00 -1.37875818e+00 29 -3.40089267e+00 -5.90236165e+00 5.98873653e+00 30 -5.08662524e-01 3.29246711e+00 4.78207573e+00 31 -5.76755673e+01 -6.07654047e+00 1.49322456e+02 32 7.45878786e+00 6.29354274e+00 1.96657525e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==27892== Memcheck, a memory error detector ==27892== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==27892== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==27892== Command: python runner2.py EAM_CubicNaturalSpline_Angelo_Moody_Ni__MO_800536961967_001 ==27892== ==27892== ==27892== HEAP SUMMARY: ==27892== in use at exit: 4,106,401 bytes in 5,849 blocks ==27892== total heap usage: 41,258 allocs, 35,409 frees, 50,207,635 bytes allocated ==27892== ==27892== LEAK SUMMARY: ==27892== definitely lost: 0 bytes in 0 blocks ==27892== indirectly lost: 0 bytes in 0 blocks ==27892== possibly lost: 172,767 bytes in 105 blocks ==27892== still reachable: 3,933,634 bytes in 5,744 blocks ==27892== suppressed: 0 bytes in 0 blocks ==27892== Rerun with --leak-check=full to see details of leaked memory ==27892== ==27892== For counts of detected and suppressed errors, rerun with: -v ==27892== 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.