!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Mg__MO_137404467969_005 Supported species : Mg random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Mg (Configuration in file "config-F-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 424.3820197737966 Forces: 1 -1.32137522e+01 -2.38851908e+01 -2.47721982e+01 2 -2.24372323e+01 3.52747012e+01 -3.12711024e+01 3 -2.85598138e+00 -3.35757312e+01 -3.43718951e+00 4 -1.95256981e+01 1.13744044e+01 1.15849798e+01 5 3.29366806e+01 -5.22416514e+01 -1.16302235e+01 6 1.33737243e+01 2.74985420e+00 -2.07449226e+01 7 1.85036317e+01 -7.28329369e+01 -6.44937308e+01 8 -2.14860441e+01 -2.43337185e+01 -1.16599514e+01 9 -2.64768608e+01 -3.78767527e+01 -6.41147883e+01 10 -2.95324160e+00 5.39863915e+01 -5.49188822e+01 11 -8.93158846e+00 -3.69431740e+01 2.29518325e+01 12 -4.01453841e+01 5.34677966e+01 2.91207000e+01 13 -1.18602934e+01 -2.83640564e+01 -1.04232817e+02 14 2.28598023e+01 2.77940102e+01 -1.93436342e+01 15 9.32720611e+01 -1.11729295e+01 2.34475944e+01 16 1.16644819e+01 7.51060588e+01 3.38497168e+01 17 -3.19378201e+01 -1.59536338e+01 -1.13704398e+01 18 -1.56032648e+01 2.06805060e+01 1.51206730e+01 19 1.37721081e+01 -2.74764883e+01 2.14707921e+01 20 -1.53439211e+01 1.95515385e+01 1.81537464e+01 21 -2.37734515e+01 -3.36665050e+01 2.09864862e+01 22 5.16141358e+01 5.41374647e+01 5.07337110e+01 23 1.29103459e+01 -6.55055423e+00 2.06050643e+01 24 6.55058635e+00 1.64311835e+00 1.93057709e+01 25 -2.90095220e+01 -8.70025403e+00 2.03428165e+01 26 -1.83803544e+01 4.86621186e+01 -2.25015410e+01 27 2.31355764e+01 -7.56175008e+01 2.78201748e+01 28 -6.75532122e+01 5.54377485e+01 1.24511276e+01 29 -1.66720856e+01 -2.36054408e+01 1.75572433e+01 30 2.52707273e+01 3.73634695e+01 2.95892941e+00 31 4.05208987e+01 -2.28996217e+01 3.46795678e+01 32 2.17749478e+01 3.84669589e+01 4.13504939e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Mg (Configuration in file "config-T-Mg.xyz") ----------------------------------------------------------------------------------------------------- Energy = 424.3820197737966 Forces: 1 -1.32137522e+01 -2.38851908e+01 -2.47721982e+01 2 -2.24372323e+01 3.52747012e+01 -3.12711024e+01 3 -2.85598138e+00 -3.35757312e+01 -3.43718951e+00 4 -1.95256981e+01 1.13744044e+01 1.15849798e+01 5 3.29366806e+01 -5.22416514e+01 -1.16302235e+01 6 1.33737243e+01 2.74985420e+00 -2.07449226e+01 7 1.85036317e+01 -7.28329369e+01 -6.44937308e+01 8 -2.14860441e+01 -2.43337185e+01 -1.16599514e+01 9 -2.64768608e+01 -3.78767527e+01 -6.41147883e+01 10 -2.95324160e+00 5.39863915e+01 -5.49188822e+01 11 -8.93158846e+00 -3.69431740e+01 2.29518325e+01 12 -4.01453841e+01 5.34677966e+01 2.91207000e+01 13 -1.18602934e+01 -2.83640564e+01 -1.04232817e+02 14 2.28598023e+01 2.77940102e+01 -1.93436342e+01 15 9.32720611e+01 -1.11729295e+01 2.34475944e+01 16 1.16644819e+01 7.51060588e+01 3.38497168e+01 17 -3.19378201e+01 -1.59536338e+01 -1.13704398e+01 18 -1.56032648e+01 2.06805060e+01 1.51206730e+01 19 1.37721081e+01 -2.74764883e+01 2.14707921e+01 20 -1.53439211e+01 1.95515385e+01 1.81537464e+01 21 -2.37734515e+01 -3.36665050e+01 2.09864862e+01 22 5.16141358e+01 5.41374647e+01 5.07337110e+01 23 1.29103459e+01 -6.55055423e+00 2.06050643e+01 24 6.55058635e+00 1.64311835e+00 1.93057709e+01 25 -2.90095220e+01 -8.70025403e+00 2.03428165e+01 26 -1.83803544e+01 4.86621186e+01 -2.25015410e+01 27 2.31355764e+01 -7.56175008e+01 2.78201748e+01 28 -6.75532122e+01 5.54377485e+01 1.24511276e+01 29 -1.66720856e+01 -2.36054408e+01 1.75572433e+01 30 2.52707273e+01 3.73634695e+01 2.95892941e+00 31 4.05208987e+01 -2.28996217e+01 3.46795678e+01 32 2.17749478e+01 3.84669589e+01 4.13504939e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==92176== Memcheck, a memory error detector ==92176== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==92176== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==92176== Command: python runner2.py EAM_Dynamo_ZhouJohnsonWadley_2004_Mg__MO_137404467969_005 ==92176== ==92176== Conditional jump or move depends on uninitialised value(s) ==92176== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==92176== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==92176== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==92176== by 0x547A3F: ??? (in /usr/bin/python3.6) ==92176== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==92176== by 0x5BA640: ??? (in /usr/bin/python3.6) ==92176== by 0x551B80: ??? (in /usr/bin/python3.6) ==92176== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==92176== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==92176== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==92176== by 0x509D47: ??? (in /usr/bin/python3.6) ==92176== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==92176== ==92176== Conditional jump or move depends on uninitialised value(s) ==92176== at 0x4E63408: internal_utf8_loop (loop.c:298) ==92176== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==92176== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==92176== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==92176== by 0x547A3F: ??? (in /usr/bin/python3.6) ==92176== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==92176== by 0x5BA640: ??? (in /usr/bin/python3.6) ==92176== by 0x551B80: ??? (in /usr/bin/python3.6) ==92176== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==92176== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==92176== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==92176== by 0x509D47: ??? (in /usr/bin/python3.6) ==92176== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==92176== ==92176== Conditional jump or move depends on uninitialised value(s) ==92176== at 0x4E63411: internal_utf8_loop (loop.c:303) ==92176== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==92176== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==92176== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==92176== by 0x547A3F: ??? (in /usr/bin/python3.6) ==92176== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==92176== by 0x5BA640: ??? (in /usr/bin/python3.6) ==92176== by 0x551B80: ??? (in /usr/bin/python3.6) ==92176== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==92176== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==92176== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==92176== by 0x509D47: ??? (in /usr/bin/python3.6) ==92176== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==92176== ==92176== Conditional jump or move depends on uninitialised value(s) ==92176== at 0x4E63458: internal_utf8_loop (loop.c:298) ==92176== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==92176== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==92176== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==92176== by 0x547A3F: ??? (in /usr/bin/python3.6) ==92176== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==92176== by 0x5BA640: ??? (in /usr/bin/python3.6) ==92176== by 0x551B80: ??? (in /usr/bin/python3.6) ==92176== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==92176== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==92176== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==92176== by 0x509D47: ??? (in /usr/bin/python3.6) ==92176== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==92176== ==92176== Conditional jump or move depends on uninitialised value(s) ==92176== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==92176== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==92176== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==92176== by 0x547A3F: ??? (in /usr/bin/python3.6) ==92176== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==92176== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==92176== by 0x4F8388: ??? (in /usr/bin/python3.6) ==92176== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==92176== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==92176== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==92176== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==92176== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==92176== ==92176== ==92176== HEAP SUMMARY: ==92176== in use at exit: 2,764,995 bytes in 1,647 blocks ==92176== total heap usage: 36,172 allocs, 34,525 frees, 64,212,753 bytes allocated ==92176== ==92176== LEAK SUMMARY: ==92176== definitely lost: 0 bytes in 0 blocks ==92176== indirectly lost: 0 bytes in 0 blocks ==92176== possibly lost: 146,155 bytes in 87 blocks ==92176== still reachable: 2,618,840 bytes in 1,560 blocks ==92176== suppressed: 0 bytes in 0 blocks ==92176== Rerun with --leak-check=full to see details of leaked memory ==92176== ==92176== For counts of detected and suppressed errors, rerun with: -v ==92176== Use --track-origins=yes to see where uninitialised values come from ==92176== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12355 from 649) ================================================================================ 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.