!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Zhou_Johnson_Ag__MO_947112899505_004 Supported species : Ag random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ag (Configuration in file "config-F-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 225.069439043 Forces: 1 -8.79957115e+00 -1.63191260e+01 -1.68903976e+01 2 -1.59163039e+01 2.44717688e+01 -2.21042235e+01 3 -2.22499159e+00 -2.37162951e+01 -2.54997931e+00 4 -1.36748860e+01 7.69149926e+00 8.04889270e+00 5 2.31019365e+01 -3.65496838e+01 -8.15593857e+00 6 8.97159839e+00 2.00836865e+00 -1.41626422e+01 7 1.32731011e+01 -5.14572673e+01 -4.55304490e+01 8 -1.51058534e+01 -1.79063121e+01 -8.53449842e+00 9 -1.88300066e+01 -2.66740328e+01 -4.50905313e+01 10 -2.28364670e+00 3.83960065e+01 -3.90073170e+01 11 -7.01614529e+00 -2.64142673e+01 1.61638445e+01 12 -2.81982654e+01 3.74371027e+01 2.04713015e+01 13 -7.86802260e+00 -2.00220746e+01 -7.46932901e+01 14 1.57653607e+01 1.92573466e+01 -1.32723995e+01 15 6.69958884e+01 -7.68822559e+00 1.63041506e+01 16 8.40238591e+00 5.41582186e+01 2.38866368e+01 17 -2.20999419e+01 -1.08162783e+01 -7.87478945e+00 18 -1.15073990e+01 1.43935627e+01 1.10850458e+01 19 9.52645806e+00 -1.88963276e+01 1.48694544e+01 20 -1.02115187e+01 1.36331704e+01 1.21803643e+01 21 -1.66912315e+01 -2.38602270e+01 1.52405454e+01 22 3.65364444e+01 3.79661357e+01 3.61071473e+01 23 8.48139144e+00 -4.16125736e+00 1.38363966e+01 24 4.68786256e+00 1.02811961e+00 1.34462625e+01 25 -2.07775229e+01 -6.21387197e+00 1.45736547e+01 26 -1.32896634e+01 3.47680821e+01 -1.56737340e+01 27 1.57689944e+01 -5.32513364e+01 1.98222993e+01 28 -4.69849703e+01 3.84811383e+01 8.50976847e+00 29 -1.16735800e+01 -1.68173177e+01 1.32139896e+01 30 1.76965322e+01 2.62120526e+01 2.15143332e+00 31 2.85048882e+01 -1.62019468e+01 2.44048924e+01 32 1.54406782e+01 2.70632752e+01 2.92241097e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ag (Configuration in file "config-T-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 448.23406415 Forces: 1 3.31522957e+01 -2.18086984e+01 8.09080582e+00 2 -5.43843386e+01 1.87190580e+01 4.21905635e+01 3 -5.55685007e+00 1.52537392e+00 1.55144776e+00 4 2.47671815e+01 1.82302256e+01 -1.54643621e+00 5 3.89913464e+01 -3.70700736e+00 -6.98502663e-01 6 -4.10723659e+01 4.21810861e+01 1.25534118e+01 7 -7.30703786e+00 -4.69974828e+01 -4.54526563e+01 8 -1.66588770e+01 -1.76570601e+01 -7.94414403e+00 9 -3.31022147e+01 -5.14304486e+01 1.08156365e+01 10 -1.70959002e+01 8.91273629e+00 -1.98526194e+01 11 -6.73759260e+00 -2.71678158e+01 1.79147909e+01 12 1.79657662e+01 1.58868216e+01 4.83942115e+01 13 -6.24974882e+00 -2.39476588e+01 -5.88703498e+01 14 -3.91807475e+01 1.28310664e+01 -2.87904874e+01 15 5.13543745e+01 -7.70387848e+00 1.70140934e+01 16 1.24324699e+01 3.69398086e+01 2.63794573e+01 17 2.36154575e+01 -2.39357023e+01 -1.07702327e+01 18 -1.11832343e+01 1.50980257e+01 1.07789059e+01 19 1.00935948e+01 8.19936600e+00 8.63980235e+00 20 2.90403899e+01 4.51231489e+01 -1.47546735e+01 21 -1.84581383e+01 -5.58143198e+00 1.61061037e+01 22 -6.23012036e+00 6.03590307e+01 4.40970441e+01 23 -3.55278910e+01 -4.00773105e+01 -1.54005630e+01 24 4.57133542e+01 1.41210963e+01 -5.08615490e+01 25 -4.87449744e+00 -1.15453892e+01 1.46390105e+01 26 -1.05676337e+01 7.55146187e+00 -2.08328553e+01 27 3.77863949e+01 -5.67443864e+01 -2.49191841e+01 28 -4.74589581e+01 4.04689923e+01 -1.80100469e+01 29 -1.18465958e+01 -1.73884154e+01 1.31223179e+01 30 3.52412349e+00 8.67253697e+00 2.67987723e+00 31 2.17436299e+01 -1.89760993e+01 1.63002869e+01 32 2.33123633e+01 1.98489499e+01 7.43653322e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==12021== Memcheck, a memory error detector ==12021== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==12021== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==12021== Command: python runner2.py EAM_Dynamo_Zhou_Johnson_Ag__MO_947112899505_004 ==12021== ==12021== ==12021== HEAP SUMMARY: ==12021== in use at exit: 4,107,219 bytes in 5,848 blocks ==12021== total heap usage: 51,830 allocs, 45,982 frees, 50,364,780 bytes allocated ==12021== ==12021== LEAK SUMMARY: ==12021== definitely lost: 0 bytes in 0 blocks ==12021== indirectly lost: 0 bytes in 0 blocks ==12021== possibly lost: 172,767 bytes in 105 blocks ==12021== still reachable: 3,934,452 bytes in 5,743 blocks ==12021== suppressed: 0 bytes in 0 blocks ==12021== Rerun with --leak-check=full to see details of leaked memory ==12021== ==12021== For counts of detected and suppressed errors, rerun with: -v ==12021== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2383 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.