!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_PurjaPun_Mishin_Co__MO_885079680379_004 Supported species : Co random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Co (Configuration in file "config-F-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = 390.165255322 Forces: 1 -6.50233106e+01 -1.90447977e+02 -2.57368486e+02 2 -3.55074174e-02 3.59428617e+01 -3.01002340e+01 3 9.57556007e+01 -1.03150350e+02 6.69210542e+01 4 -6.92610824e+01 2.72365883e+02 1.93337564e+02 5 7.53148934e-01 -3.60498971e+01 -2.30384110e+01 6 7.84069399e+00 7.63660920e+00 -1.63731383e+01 7 -2.20300752e+01 -2.58361328e+02 -2.71491457e+02 8 -8.73822274e+01 -9.67732567e+01 1.38205877e+01 9 -1.52093964e+00 -6.24410052e+00 -4.99534180e+00 10 -5.54190456e+01 2.39556399e+01 -6.54123187e+01 11 -2.01218350e+02 -1.04411033e+02 -1.23697266e+02 12 -3.05025913e+00 1.13454264e+01 -2.58365428e-01 13 -1.35966824e+02 -6.30569647e+01 -2.63517824e+02 14 3.42314485e+01 3.70065027e+01 -1.33637496e+01 15 2.51813144e+02 3.32019467e+01 1.41532454e+02 16 8.53043826e+01 2.41967496e+02 2.02781936e+01 17 -4.13069064e+01 -1.29516955e+02 -1.38993647e+02 18 6.45539752e+01 -3.69968639e+01 8.39154512e+00 19 2.09861744e+01 -2.18242345e+01 1.71584720e+01 20 -1.15193280e+01 1.21408537e+02 1.40096676e+02 21 -1.08112288e+02 -5.21486845e+01 -1.08963535e+01 22 1.46717007e+02 2.62291858e+02 2.16753381e+02 23 5.28660697e+01 -1.08259742e+01 8.70146618e+01 24 -1.06669963e+01 3.11878499e+01 2.17667619e+01 25 -6.75355567e+01 4.24080225e+01 -9.27332846e+00 26 -7.82344503e+01 2.04518142e+02 -8.71589498e+01 27 1.63180048e+02 -3.12030945e+02 6.09629142e+01 28 -2.21733179e+02 1.98291437e+02 6.15398446e+01 29 1.86815604e+02 -1.44702608e+02 2.02677669e+02 30 1.20427504e+01 2.64982221e+01 1.39786814e+01 31 2.87156450e+01 -2.36506296e+01 4.13593860e+00 32 2.84406338e+01 4.01653689e+01 4.55724728e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Co (Configuration in file "config-T-Co.xyz") ----------------------------------------------------------------------------------------------------- Energy = 513.471222763 Forces: 1 3.89836009e+01 -2.71709653e+02 -2.39608771e+02 2 -7.29596512e+00 3.46001414e+01 -1.96158673e+01 3 1.09614529e+02 -6.73278919e+01 7.36807423e+01 4 -2.81900620e+01 2.77186853e+02 1.96886578e+02 5 1.68456966e+01 2.87993434e+00 -2.96064862e+01 6 -1.14728911e+02 1.23014590e+02 3.72531673e+01 7 -3.99905527e+01 -2.56901731e+02 -2.75582567e+02 8 -8.62855717e+01 -9.74506552e+01 1.31702321e+01 9 -4.76189942e+00 -8.59833424e+01 7.95533917e+01 10 -7.53525207e+01 -3.44145555e+00 -6.07809409e+01 11 -2.01510013e+02 -1.03282683e+02 -1.24426647e+02 12 1.13550695e+02 -3.48538754e+00 -1.17296418e+02 13 -1.33870276e+02 -6.74758024e+01 -2.54508547e+02 14 1.51814774e+01 4.56203184e+01 -1.56554446e+01 15 2.47628096e+02 3.11320567e+01 1.40330727e+02 16 8.55710529e+01 2.23626817e+02 3.11284626e+01 17 2.68466094e+02 -4.25693929e+02 -6.10629831e+01 18 6.42754087e+01 -3.79502110e+01 8.63094183e+00 19 1.98900324e+01 2.16218636e+01 3.74019911e+01 20 2.98991049e+02 3.00219153e+02 1.34465907e+02 21 -1.07384979e+02 -5.04392908e+01 -9.45039688e+00 22 -1.58786612e+02 5.57314988e+02 1.13992840e+02 23 -2.65742099e+02 -2.17680997e+02 4.38777749e+01 24 -3.74055356e+00 3.07433883e+01 1.15527921e+01 25 -6.20529005e+01 4.10828252e+01 -8.24352335e+00 26 -7.12312108e+01 1.72270531e+02 -1.09505122e+02 27 1.68635367e+02 -3.11783073e+02 5.20420750e+01 28 -2.18568010e+02 2.58803447e+02 -1.64383914e+01 29 1.87350302e+02 -1.43181971e+02 2.03077911e+02 30 -1.18488604e+02 8.42082074e+00 1.44700350e+02 31 2.62735605e+01 -2.62635175e+01 -3.30041486e-01 32 3.67237770e+01 4.15138636e+01 2.03662634e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==25352== Memcheck, a memory error detector ==25352== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==25352== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==25352== Command: python runner2.py EAM_Dynamo_PurjaPun_Mishin_Co__MO_885079680379_004 ==25352== ==25352== ==25352== HEAP SUMMARY: ==25352== in use at exit: 4,107,219 bytes in 5,848 blocks ==25352== total heap usage: 49,585 allocs, 43,737 frees, 52,475,404 bytes allocated ==25352== ==25352== LEAK SUMMARY: ==25352== definitely lost: 0 bytes in 0 blocks ==25352== indirectly lost: 0 bytes in 0 blocks ==25352== possibly lost: 172,767 bytes in 105 blocks ==25352== still reachable: 3,934,452 bytes in 5,743 blocks ==25352== suppressed: 0 bytes in 0 blocks ==25352== Rerun with --leak-check=full to see details of leaked memory ==25352== ==25352== For counts of detected and suppressed errors, rerun with: -v ==25352== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2396 from 127) ================================================================================ 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.