!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Mishin_Mehl_Cu__MO_346334655118_004 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 = 20.2181356242 Forces: 1 -7.93111932e+00 -6.67866465e+00 -1.04181803e+01 2 -1.06473595e+01 1.91178218e+01 -9.38821512e+00 3 1.49753263e+00 -8.68280655e+00 1.06266711e+01 4 -1.04183938e+01 4.27976644e+00 -1.26917184e+00 5 1.74721023e+01 -2.02705704e+01 -4.92464556e+00 6 5.09719232e+00 9.67714185e-01 -6.73667731e+00 7 3.01533652e+00 -2.97326442e+01 -3.05954650e+01 8 -9.44530161e+00 -8.04569881e+00 5.91923143e+00 9 -5.85394289e+00 -9.19849694e+00 -1.41568741e+01 10 -5.14965326e+00 1.39878515e+01 -1.74701357e+01 11 3.76365147e+00 -1.09262844e+01 -2.92096207e+00 12 -9.40816180e+00 1.63207661e+01 2.10299450e+00 13 -1.17328211e+01 -1.26498506e+01 -4.33408479e+01 14 7.15718384e+00 1.14901155e+01 -9.02067010e+00 15 3.57968379e+01 -1.31304981e+01 1.46942772e+01 16 1.43718131e+00 3.10647000e+01 1.50546353e+01 17 -1.37442507e+01 -1.10923342e+01 -5.87340681e+00 18 1.39063678e+01 8.86514291e+00 2.53649727e+00 19 6.48307679e+00 -8.57405339e+00 6.98474051e+00 20 -5.14954899e+00 7.01592321e+00 7.44771161e+00 21 -1.22379615e+01 -8.50284338e+00 7.07546574e+00 22 1.72717453e+01 2.78061718e+01 1.93633517e+01 23 4.50432574e+00 -2.86479911e+00 8.06868903e+00 24 -2.37567674e+00 3.09269831e+00 3.16626849e+00 25 -1.54465209e+01 -3.35997730e+00 1.74674084e+01 26 -7.22713274e+00 1.63861859e+01 -8.35362490e+00 27 1.53553972e+01 -3.56317410e+01 8.09484633e+00 28 -2.89891312e+01 2.46041501e+01 2.52672748e+00 29 -6.51434614e+00 -1.36509646e+01 4.45422250e+00 30 7.43058183e+00 1.41792562e+01 4.02995005e+00 31 1.38002526e+01 -8.99341241e+00 1.14630584e+01 32 8.28255669e+00 1.28073761e+01 1.33921296e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 83.1337774582 Forces: 1 4.81511916e+00 -1.04755083e+01 -5.88804499e-01 2 -2.39021446e+01 1.88547271e+01 1.16815170e+01 3 6.04728029e-01 5.79448867e+00 1.68758350e+01 4 -3.68762625e+00 6.43118378e+00 -4.73764206e+00 5 2.69588768e+01 -6.07888688e+00 -2.41648559e+00 6 -1.16669629e+01 2.71873870e+01 3.24365436e+01 7 -2.43972251e+00 -2.74025572e+01 -3.20006093e+01 8 -9.27348158e+00 -8.20845579e+00 5.85413023e+00 9 -1.79810305e+01 -2.35425434e+01 1.84457815e+01 10 -1.31049475e+01 -4.49101380e+00 -1.26038691e+01 11 3.57398791e+00 -1.09261056e+01 -3.03028331e+00 12 7.96685521e+00 9.32864129e+00 1.27708421e+01 13 -1.10167942e+01 -1.47415941e+01 -3.82711919e+01 14 -1.27877122e+01 1.11443706e+01 -1.93730217e+01 15 2.96738573e+01 -1.56957852e+01 1.46673638e+01 16 3.23328358e+00 2.61524318e+01 1.61150961e+01 17 8.89268301e+00 -2.35713250e+01 -4.76113132e+00 18 1.47745966e+01 8.84836481e+00 2.66028974e+00 19 6.27493272e+00 3.18819999e+00 6.31976446e+00 20 4.73683952e+01 4.08204278e+01 -2.16079410e+00 21 -1.28543512e+01 -2.35233557e+00 7.63499620e+00 22 -2.95365094e+00 4.27408960e+01 1.76372859e+01 23 -4.34601819e+01 -5.16682272e+01 -2.68960219e+01 24 1.02437744e+01 7.35693321e+00 -1.97253642e+01 25 -1.00886354e+01 -5.76969838e+00 1.75852713e+01 26 -6.60494282e+00 7.01721929e+00 -1.30473003e+01 27 2.96309832e+01 -3.65931224e+01 -1.56685309e+01 28 -3.25048150e+01 3.05819119e+01 -1.02721920e+01 29 -6.35523187e+00 -1.35918645e+01 4.67098595e+00 30 1.31795686e+00 8.19175131e+00 6.51569045e+00 31 1.25715617e+01 -9.60991644e+00 9.50226799e+00 32 1.27806398e+01 1.10800053e+01 4.17958086e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==17093== Memcheck, a memory error detector ==17093== Copyright (C) 2002-2015, and GNU GPL'd, by Julian Seward et al. ==17093== Using Valgrind-3.11.0 and LibVEX; rerun with -h for copyright info ==17093== Command: python runner2.py EAM_Dynamo_Mishin_Mehl_Cu__MO_346334655118_004 ==17093== ==17093== ==17093== HEAP SUMMARY: ==17093== in use at exit: 4,105,603 bytes in 5,844 blocks ==17093== total heap usage: 48,659 allocs, 42,815 frees, 52,137,689 bytes allocated ==17093== ==17093== LEAK SUMMARY: ==17093== definitely lost: 0 bytes in 0 blocks ==17093== indirectly lost: 0 bytes in 0 blocks ==17093== possibly lost: 172,767 bytes in 105 blocks ==17093== still reachable: 3,932,836 bytes in 5,739 blocks ==17093== suppressed: 0 bytes in 0 blocks ==17093== Rerun with --leak-check=full to see details of leaked memory ==17093== ==17093== For counts of detected and suppressed errors, rerun with: -v ==17093== ERROR SUMMARY: 0 errors from 0 contexts (suppressed: 2378 from 122) ================================================================================ 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.