!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_LiSiegelAdams_2003_Ta__MO_103054252769_005 Supported species : Ta random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ta (Configuration in file "config-F-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = -185.71079743727114 Forces: 1 -4.07853523e+00 -7.80611679e+00 -9.88006998e+00 2 -9.35460818e+00 1.38331549e+01 -4.28961231e+00 3 5.05796909e+00 -5.95087071e+00 5.60379521e+00 4 -4.11678337e+00 1.13941759e+01 7.33051886e+00 5 1.12943782e+01 -1.06645861e+01 -1.70845264e+00 6 4.20854950e-01 1.39940268e+00 2.52766152e-01 7 3.10744142e+00 -1.18511348e+01 -1.07616807e+01 8 -5.56405663e+00 -1.50730665e+00 -5.86784457e-01 9 6.40491747e-01 -1.22246623e+00 3.28965210e-01 10 -1.87121354e+00 1.41397035e+00 -3.36918581e+00 11 3.43585109e+00 -4.64829044e+00 -6.62206156e+00 12 -1.48703358e+00 6.60482657e+00 -4.07197275e+00 13 -5.53531420e+00 -4.79124914e+00 -1.07717876e+01 14 6.12248521e-01 1.66295081e+00 -6.18259677e-01 15 1.15910893e+01 -6.82898617e-01 4.87122151e+00 16 2.25166417e+00 7.97991293e+00 2.18652004e+00 17 -5.67592451e+00 -6.04018177e+00 -5.27289895e+00 18 5.26670457e+00 4.95677445e+00 -3.68498061e+00 19 3.66309392e+00 -4.46076222e+00 3.54066307e+00 20 -2.46824178e+00 5.52514280e+00 5.81134025e+00 21 -7.43603900e+00 -3.69978590e+00 5.53493782e-01 22 6.79135395e+00 1.19738444e+01 7.92596195e+00 23 2.29101681e+00 -7.87963982e-01 3.72315893e+00 24 -1.94550043e-02 2.90837568e+00 1.47809113e+00 25 -7.91689324e+00 -5.25180244e+00 9.06211595e+00 26 -2.01049456e+00 5.47000741e+00 -1.74998148e+00 27 6.91643002e+00 -1.27440491e+01 2.25269002e+00 28 -9.20836880e+00 8.91720230e+00 3.90815379e-01 29 -1.36519849e+00 -3.23313536e+00 3.88286408e+00 30 1.03222573e-01 2.49659227e+00 -1.22781629e+00 31 2.93781456e+00 -3.89012656e+00 2.52374198e+00 32 1.72653532e+00 2.69639331e+00 2.89682130e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ta (Configuration in file "config-T-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = -185.71079743727114 Forces: 1 -4.07853523e+00 -7.80611679e+00 -9.88006998e+00 2 -9.35460818e+00 1.38331549e+01 -4.28961231e+00 3 5.05796909e+00 -5.95087071e+00 5.60379521e+00 4 -4.11678337e+00 1.13941759e+01 7.33051886e+00 5 1.12943782e+01 -1.06645861e+01 -1.70845264e+00 6 4.20854950e-01 1.39940268e+00 2.52766152e-01 7 3.10744142e+00 -1.18511348e+01 -1.07616807e+01 8 -5.56405663e+00 -1.50730665e+00 -5.86784457e-01 9 6.40491747e-01 -1.22246623e+00 3.28965210e-01 10 -1.87121354e+00 1.41397035e+00 -3.36918581e+00 11 3.43585109e+00 -4.64829044e+00 -6.62206156e+00 12 -1.48703358e+00 6.60482657e+00 -4.07197275e+00 13 -5.53531420e+00 -4.79124914e+00 -1.07717876e+01 14 6.12248521e-01 1.66295081e+00 -6.18259677e-01 15 1.15910893e+01 -6.82898617e-01 4.87122151e+00 16 2.25166417e+00 7.97991293e+00 2.18652004e+00 17 -5.67592451e+00 -6.04018177e+00 -5.27289895e+00 18 5.26670457e+00 4.95677445e+00 -3.68498061e+00 19 3.66309392e+00 -4.46076222e+00 3.54066307e+00 20 -2.46824178e+00 5.52514280e+00 5.81134025e+00 21 -7.43603900e+00 -3.69978590e+00 5.53493782e-01 22 6.79135395e+00 1.19738444e+01 7.92596195e+00 23 2.29101681e+00 -7.87963982e-01 3.72315893e+00 24 -1.94550043e-02 2.90837568e+00 1.47809113e+00 25 -7.91689324e+00 -5.25180244e+00 9.06211595e+00 26 -2.01049456e+00 5.47000741e+00 -1.74998148e+00 27 6.91643002e+00 -1.27440491e+01 2.25269002e+00 28 -9.20836880e+00 8.91720230e+00 3.90815379e-01 29 -1.36519849e+00 -3.23313536e+00 3.88286408e+00 30 1.03222573e-01 2.49659227e+00 -1.22781629e+00 31 2.93781456e+00 -3.89012656e+00 2.52374198e+00 32 1.72653532e+00 2.69639331e+00 2.89682130e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==1443454== Memcheck, a memory error detector ==1443454== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==1443454== Using Valgrind-3.15.0 and LibVEX; rerun with -h for copyright info ==1443454== Command: python runner2.py EAM_Dynamo_LiSiegelAdams_2003_Ta__MO_103054252769_005 ==1443454== ==1445021== Warning: invalid file descriptor 1024 in syscall close() ==1445021== Warning: invalid file descriptor 1025 in syscall close() ==1445021== Warning: invalid file descriptor 1026 in syscall close() ==1445021== Warning: invalid file descriptor 1027 in syscall close() ==1445021== Use --log-fd= to select an alternative log fd. ==1445021== Warning: invalid file descriptor 1028 in syscall close() ==1445021== Warning: invalid file descriptor 1029 in syscall close() ==1443454== ==1443454== HEAP SUMMARY: ==1443454== in use at exit: 2,257,591 bytes in 1,701 blocks ==1443454== total heap usage: 50,603 allocs, 48,902 frees, 68,749,539 bytes allocated ==1443454== ==1443454== LEAK SUMMARY: ==1443454== definitely lost: 0 bytes in 0 blocks ==1443454== indirectly lost: 0 bytes in 0 blocks ==1443454== possibly lost: 180,827 bytes in 103 blocks ==1443454== still reachable: 2,076,732 bytes in 1,597 blocks ==1443454== of which reachable via heuristic: ==1443454== stdstring : 38 bytes in 1 blocks ==1443454== suppressed: 32 bytes in 1 blocks ==1443454== Rerun with --leak-check=full to see details of leaked memory ==1443454== ==1443454== For lists of detected and suppressed errors, rerun with: -s ==1443454== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 7816 from 539) ================================================================================ 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.