!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 and Daniel S. Karls ----------------------------------------------------------------------------------------------------- Results for KIM Model : EAM_Dynamo_SmirnovaStarikovStegailov_2012_U__MO_649864794085_000 Supported species : U random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = U (Configuration in file "config-F-U.xyz") ----------------------------------------------------------------------------------------------------- Energy = -89.57941358390266 Forces: 1 -2.66871059e+00 -4.64552786e+00 -6.25627766e+00 2 -4.81189137e+00 8.50183519e+00 -3.73326638e+00 3 3.80515810e+00 -6.07128798e+00 3.78206583e+00 4 -5.67192934e+00 6.82185844e+00 3.46553468e+00 5 7.94987010e+00 -6.46184068e+00 -1.26835246e+00 6 6.66257361e-02 2.53667316e-01 -1.87675783e-01 7 2.01510665e+00 -7.50871638e+00 -7.66206417e+00 8 -3.37234172e+00 -4.33957716e+00 -2.48475559e+00 9 -9.17425936e-01 1.51726210e-01 -8.72744205e-01 10 -2.30213864e+00 2.10659031e+00 -2.82140759e+00 11 9.13694305e-02 -1.59578056e+00 -4.46062599e+00 12 8.45649220e-02 4.77992648e-01 7.36809493e-02 13 -3.61877057e+00 -3.98619961e+00 -9.91887086e+00 14 1.37099940e+00 1.00186046e+00 -5.68030049e-01 15 9.93727685e+00 3.28658606e-01 1.81037835e+00 16 1.23050159e+00 8.04528160e+00 1.73801480e+00 17 -2.31372552e+00 -3.85595383e+00 -2.09224394e+00 18 2.04750745e+00 -3.12254227e-01 2.32390170e+00 19 5.35349010e-01 -5.92608544e-01 9.70764615e-01 20 -1.98255393e-01 3.28124462e+00 3.04480221e+00 21 -3.79231981e+00 -2.84655181e+00 5.08464436e-01 22 5.62008190e+00 6.55347774e+00 6.70086086e+00 23 6.99770131e-01 -4.65968904e-01 2.26310767e+00 24 1.11603937e-01 1.30915073e-01 9.94398769e-01 25 -6.58150695e+00 7.63148087e-02 2.89019127e+00 26 -2.06144836e+00 5.16826731e+00 -8.25751761e-01 27 2.94828728e+00 -6.90016359e+00 2.76161481e+00 28 -5.10530154e+00 4.22031531e+00 6.74561146e-02 29 -3.85557645e-01 -1.17235813e+00 5.04962435e+00 30 2.02022613e+00 2.43594093e+00 2.80173085e-01 31 1.87088895e+00 -1.30934532e+00 1.64992404e+00 32 1.39613578e+00 2.50818801e+00 2.77710788e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = U (Configuration in file "config-T-U.xyz") ----------------------------------------------------------------------------------------------------- Energy = -89.57941358390266 Forces: 1 -2.66871059e+00 -4.64552786e+00 -6.25627766e+00 2 -4.81189137e+00 8.50183519e+00 -3.73326638e+00 3 3.80515810e+00 -6.07128798e+00 3.78206583e+00 4 -5.67192934e+00 6.82185844e+00 3.46553468e+00 5 7.94987010e+00 -6.46184068e+00 -1.26835246e+00 6 6.66257361e-02 2.53667316e-01 -1.87675783e-01 7 2.01510665e+00 -7.50871638e+00 -7.66206417e+00 8 -3.37234172e+00 -4.33957716e+00 -2.48475559e+00 9 -9.17425936e-01 1.51726210e-01 -8.72744205e-01 10 -2.30213864e+00 2.10659031e+00 -2.82140759e+00 11 9.13694305e-02 -1.59578056e+00 -4.46062599e+00 12 8.45649220e-02 4.77992648e-01 7.36809493e-02 13 -3.61877057e+00 -3.98619961e+00 -9.91887086e+00 14 1.37099940e+00 1.00186046e+00 -5.68030049e-01 15 9.93727685e+00 3.28658606e-01 1.81037835e+00 16 1.23050159e+00 8.04528160e+00 1.73801480e+00 17 -2.31372552e+00 -3.85595383e+00 -2.09224394e+00 18 2.04750745e+00 -3.12254227e-01 2.32390170e+00 19 5.35349010e-01 -5.92608544e-01 9.70764615e-01 20 -1.98255393e-01 3.28124462e+00 3.04480221e+00 21 -3.79231981e+00 -2.84655181e+00 5.08464436e-01 22 5.62008190e+00 6.55347774e+00 6.70086086e+00 23 6.99770131e-01 -4.65968904e-01 2.26310767e+00 24 1.11603937e-01 1.30915073e-01 9.94398769e-01 25 -6.58150695e+00 7.63148087e-02 2.89019127e+00 26 -2.06144836e+00 5.16826731e+00 -8.25751761e-01 27 2.94828728e+00 -6.90016359e+00 2.76161481e+00 28 -5.10530154e+00 4.22031531e+00 6.74561146e-02 29 -3.85557645e-01 -1.17235813e+00 5.04962435e+00 30 2.02022613e+00 2.43594093e+00 2.80173085e-01 31 1.87088895e+00 -1.30934532e+00 1.64992404e+00 32 1.39613578e+00 2.50818801e+00 2.77710788e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1396810== Memcheck, a memory error detector ==1396810== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1396810== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1396810== Command: python runner2.py EAM_Dynamo_SmirnovaStarikovStegailov_2012_U__MO_649864794085_000 ==1396810== ==1398745== Warning: invalid file descriptor 1024 in syscall close() ==1398745== Warning: invalid file descriptor 1025 in syscall close() ==1398745== Warning: invalid file descriptor 1026 in syscall close() ==1398745== Warning: invalid file descriptor 1027 in syscall close() ==1398745== Use --log-fd= to select an alternative log fd. ==1398745== Warning: invalid file descriptor 1028 in syscall close() ==1398745== Warning: invalid file descriptor 1029 in syscall close() ==1396810== ==1396810== HEAP SUMMARY: ==1396810== in use at exit: 2,257,591 bytes in 1,701 blocks ==1396810== total heap usage: 50,486 allocs, 48,785 frees, 74,162,825 bytes allocated ==1396810== ==1396810== LEAK SUMMARY: ==1396810== definitely lost: 0 bytes in 0 blocks ==1396810== indirectly lost: 0 bytes in 0 blocks ==1396810== possibly lost: 180,827 bytes in 103 blocks ==1396810== still reachable: 2,076,732 bytes in 1,597 blocks ==1396810== of which reachable via heuristic: ==1396810== stdstring : 38 bytes in 1 blocks ==1396810== suppressed: 32 bytes in 1 blocks ==1396810== Rerun with --leak-check=full to see details of leaked memory ==1396810== ==1396810== For lists of detected and suppressed errors, rerun with: -s ==1396810== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7901 from 565) ================================================================================ 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.