!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouJohnsonWadley_2004_Ag__MO_947112899505_005 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 = 225.06943904325803 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 = 225.06943904325803 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 ================================================================================ VALGRIND OUTPUT ================================================================================ ==91826== Memcheck, a memory error detector ==91826== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==91826== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==91826== Command: python runner2.py EAM_Dynamo_ZhouJohnsonWadley_2004_Ag__MO_947112899505_005 ==91826== ==91826== Conditional jump or move depends on uninitialised value(s) ==91826== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==91826== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==91826== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==91826== by 0x547A3F: ??? (in /usr/bin/python3.6) ==91826== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==91826== by 0x5BA640: ??? (in /usr/bin/python3.6) ==91826== by 0x551B80: ??? (in /usr/bin/python3.6) ==91826== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==91826== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==91826== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==91826== by 0x509D47: ??? (in /usr/bin/python3.6) ==91826== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==91826== ==91826== Conditional jump or move depends on uninitialised value(s) ==91826== at 0x4E63408: internal_utf8_loop (loop.c:298) ==91826== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==91826== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==91826== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==91826== by 0x547A3F: ??? (in /usr/bin/python3.6) ==91826== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==91826== by 0x5BA640: ??? (in /usr/bin/python3.6) ==91826== by 0x551B80: ??? (in /usr/bin/python3.6) ==91826== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==91826== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==91826== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==91826== by 0x509D47: ??? (in /usr/bin/python3.6) ==91826== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==91826== ==91826== Conditional jump or move depends on uninitialised value(s) ==91826== at 0x4E63411: internal_utf8_loop (loop.c:303) ==91826== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==91826== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==91826== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==91826== by 0x547A3F: ??? (in /usr/bin/python3.6) ==91826== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==91826== by 0x5BA640: ??? (in /usr/bin/python3.6) ==91826== by 0x551B80: ??? (in /usr/bin/python3.6) ==91826== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==91826== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==91826== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==91826== by 0x509D47: ??? (in /usr/bin/python3.6) ==91826== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==91826== ==91826== Conditional jump or move depends on uninitialised value(s) ==91826== at 0x4E63458: internal_utf8_loop (loop.c:298) ==91826== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==91826== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==91826== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==91826== by 0x547A3F: ??? (in /usr/bin/python3.6) ==91826== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==91826== by 0x5BA640: ??? (in /usr/bin/python3.6) ==91826== by 0x551B80: ??? (in /usr/bin/python3.6) ==91826== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==91826== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==91826== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==91826== by 0x509D47: ??? (in /usr/bin/python3.6) ==91826== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==91826== ==91826== Conditional jump or move depends on uninitialised value(s) ==91826== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==91826== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==91826== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==91826== by 0x547A3F: ??? (in /usr/bin/python3.6) ==91826== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==91826== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==91826== by 0x4F8388: ??? (in /usr/bin/python3.6) ==91826== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==91826== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==91826== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==91826== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==91826== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==91826== ==91826== ==91826== HEAP SUMMARY: ==91826== in use at exit: 2,764,995 bytes in 1,647 blocks ==91826== total heap usage: 36,172 allocs, 34,525 frees, 64,212,707 bytes allocated ==91826== ==91826== LEAK SUMMARY: ==91826== definitely lost: 0 bytes in 0 blocks ==91826== indirectly lost: 0 bytes in 0 blocks ==91826== possibly lost: 146,155 bytes in 87 blocks ==91826== still reachable: 2,618,840 bytes in 1,560 blocks ==91826== suppressed: 0 bytes in 0 blocks ==91826== Rerun with --leak-check=full to see details of leaked memory ==91826== ==91826== For counts of detected and suppressed errors, rerun with: -v ==91826== Use --track-origins=yes to see where uninitialised values come from ==91826== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12357 from 648) ================================================================================ 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.