!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Foiles_Baskes_Universal3_Cu__MO_666348409573_003 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 = -4.09571671994 Forces: 1 -2.52743866e+00 -6.00476992e+00 -6.34427564e+00 2 -8.67689377e+00 1.41813837e+01 -6.22174973e+00 3 2.78713088e+00 -7.66009864e+00 -1.71439336e+00 4 -4.68947465e+00 5.01962516e+00 2.10681730e+00 5 8.74528155e+00 -1.64733578e+01 -1.29035439e+00 6 4.08185271e+00 2.08864122e+00 -6.65394989e+00 7 3.43942733e+00 -2.11294968e+01 -1.83525432e+01 8 -9.81412257e+00 -9.70589043e+00 3.87983724e+00 9 -3.09674654e+00 -6.41601995e+00 -7.52289235e+00 10 -4.38910378e+00 8.90957096e+00 -1.16274712e+01 11 2.12049723e+00 -8.86004678e+00 -1.18995597e+01 12 -6.07754717e+00 9.30213075e+00 1.83264474e+00 13 -9.33114372e+00 -6.89522800e+00 -3.09958459e+01 14 5.02076107e+00 6.81498751e+00 -3.99461019e+00 15 2.84061980e+01 -1.55410027e+00 1.12315861e+01 16 4.97411485e+00 2.19445220e+01 9.55643317e+00 17 -1.23457313e+01 -7.57778399e+00 -2.84802189e+00 18 7.39659879e+00 8.17292636e+00 2.11090276e+00 19 4.16904945e+00 -8.82588062e+00 5.54036328e+00 20 -4.22288422e+00 5.77196142e+00 5.69461240e+00 21 -1.08667947e+01 -6.29266646e+00 4.34463035e+00 22 1.26727784e+01 1.84473522e+01 1.44258437e+01 23 3.33804373e+00 -8.35030724e-01 6.42934308e+00 24 2.45563797e+00 2.86013841e+00 2.48629717e+00 25 -1.73755330e+01 -3.25622062e+00 9.76077633e+00 26 -4.35378193e+00 1.60300626e+01 -5.22960899e+00 27 8.94236627e+00 -2.40642627e+01 8.15175427e+00 28 -1.96351812e+01 1.69736256e+01 3.39307045e+00 29 -2.29198022e+00 -1.09229535e+01 5.62675142e+00 30 5.54850830e+00 1.11056983e+01 -4.89910752e+00 31 9.55468059e+00 -1.14713485e+01 1.18307584e+01 32 6.04143028e+00 1.03225294e+01 1.11919618e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 43.9990096814 Forces: 1 1.53737579e+01 -1.23819701e+01 2.25774636e+00 2 -2.91833436e+01 1.17415932e+01 2.72540961e+01 3 2.36032094e+00 1.26571578e+00 -5.71469921e-01 4 7.97536501e+00 9.19289503e+00 -4.27607758e+00 5 1.58839567e+01 -4.73334344e+00 1.46861735e+00 6 -1.61605092e+01 2.34248020e+01 1.95000621e+01 7 -3.14490600e+00 -2.13526111e+01 -1.80589142e+01 8 -9.53643304e+00 -9.79359892e+00 3.57498277e+00 9 -1.09606424e+01 -1.67741805e+01 1.57257690e+01 10 -1.15030430e+01 -2.64907777e+00 -4.84825751e+00 11 1.87012229e+00 -8.33418647e+00 -1.21147085e+01 12 3.04521251e+00 3.91626116e+00 8.20643543e+00 13 -8.59036175e+00 -8.18385893e+00 -2.59300520e+01 14 -7.73810722e+00 5.24508276e+00 -9.36485231e+00 15 2.35155145e+01 -1.59855138e+00 1.08564513e+01 16 6.36756855e+00 1.70483560e+01 9.88329997e+00 17 4.82946049e+00 -1.48481979e+01 -1.80916798e+00 18 7.57459554e+00 7.81221951e+00 2.28605639e+00 19 3.76123107e+00 6.13646319e-01 4.72672937e+00 20 1.14888142e+01 1.82495357e+01 -2.53519226e+00 21 -1.12665351e+01 -7.68527578e-01 4.25131788e+00 22 -4.94057587e+00 2.73644167e+01 1.75171274e+01 23 -1.19639034e+01 -2.28514293e+01 -2.06845308e+01 24 2.39109552e+01 8.38771993e+00 -3.09300854e+01 25 -1.29014091e+01 -4.74122201e+00 9.46229484e+00 26 -3.49234667e+00 6.49888504e+00 -7.08998075e+00 27 1.85605242e+01 -2.41864129e+01 -8.99938680e+00 28 -2.02083023e+01 2.04986656e+01 -5.16490351e+00 29 -2.08154497e+00 -1.04294664e+01 5.67521543e+00 30 2.99937320e-02 6.08342472e+00 -4.57925458e+00 31 8.05991915e+00 -1.24082365e+01 1.05470891e+01 32 9.06465169e+00 8.69165144e+00 3.76354332e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==28338== Memcheck, a memory error detector ==28338== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==28338== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==28338== Command: python runner2.py EAM_Dynamo_Foiles_Baskes_Universal3_Cu__MO_666348409573_003 ==28338== ==28338== ==28338== HEAP SUMMARY: ==28338== in use at exit: 4,106,193 bytes in 5,847 blocks ==28338== total heap usage: 43,716 allocs, 37,869 frees, 48,985,679 bytes allocated ==28338== ==28338== LEAK SUMMARY: ==28338== definitely lost: 0 bytes in 0 blocks ==28338== indirectly lost: 0 bytes in 0 blocks ==28338== possibly lost: 172,207 bytes in 104 blocks ==28338== still reachable: 3,933,986 bytes in 5,743 blocks ==28338== suppressed: 0 bytes in 0 blocks ==28338== Rerun with --leak-check=full to see details of leaked memory ==28338== ==28338== For counts of detected and suppressed errors, rerun with: -v ==28338== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2399 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.