!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_FellingerParkWilkins_2010_Nb__MO_102133002179_005 Supported species : Nb random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Nb (Configuration in file "config-F-Nb.xyz") ----------------------------------------------------------------------------------------------------- Energy = -115.9504651016585 Forces: 1 -3.99533745e+00 -4.30161671e+00 -4.22292252e+00 2 -1.68404822e+01 -2.35534084e+01 -4.77868581e+01 3 -1.54207739e+01 -3.95582497e+01 -1.74281615e+01 4 -4.79765620e+01 -2.30467598e+01 -1.84784826e+01 5 -1.09136711e-02 -2.10903811e+01 -2.10229179e+01 6 2.25584969e+01 -4.47341772e-01 -2.30519836e+01 7 2.38832639e+01 -2.44665712e+01 -1.13464004e+00 8 3.32784428e+01 -5.24137654e+01 -4.85999030e+01 9 -3.10980538e+01 4.66356405e-01 -3.14298540e+01 10 -1.42041688e-01 2.93042704e+01 -2.91162869e+01 11 -2.87346393e+01 3.06256124e+01 -3.88487408e+01 12 -3.06616743e+01 3.08797524e+01 -5.56335665e-01 13 2.24545700e+01 1.74313237e+01 -4.63216363e+01 14 3.91049340e+00 4.09773288e+00 -3.88115174e+00 15 5.01081022e+01 1.86699388e+01 -2.51106634e+01 16 2.09187105e+01 5.06671505e+01 -2.22939550e+01 17 -2.49996249e+01 -2.54231237e+01 1.03296353e-01 18 -4.21698600e+01 -5.07287756e+01 2.82047381e+01 19 -5.48495762e-01 -2.59672870e+01 2.52436566e+01 20 -2.85351554e+01 -1.35651334e+00 2.78767733e+01 21 1.80580001e+01 -4.25164982e+01 1.65109248e+01 22 5.31419447e+01 -2.68825952e+01 1.88445694e+01 23 6.19897822e+00 -6.69258098e+00 6.34675626e+00 24 2.08606594e+01 -2.74519258e+01 5.64603672e+01 25 -5.08781913e+01 1.96345310e+01 2.37338909e+01 26 -2.54330884e+01 5.66452572e+01 2.28734029e+01 27 -2.47826498e+01 1.94909573e+01 5.08112100e+01 28 -5.96629495e+00 5.97438286e+00 6.07038767e+00 29 3.96010762e+01 4.77451155e+01 3.26759674e+01 30 3.11125683e+01 3.16146105e+01 6.69957956e-01 31 3.12994552e+01 7.61172868e-01 3.13583255e+01 32 8.09076895e-01 3.18892294e+01 3.15002686e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Nb (Configuration in file "config-T-Nb.xyz") ----------------------------------------------------------------------------------------------------- Energy = -115.9504651016585 Forces: 1 -3.99533745e+00 -4.30161671e+00 -4.22292252e+00 2 -1.68404822e+01 -2.35534084e+01 -4.77868581e+01 3 -1.54207739e+01 -3.95582497e+01 -1.74281615e+01 4 -4.79765620e+01 -2.30467598e+01 -1.84784826e+01 5 -1.09136711e-02 -2.10903811e+01 -2.10229179e+01 6 2.25584969e+01 -4.47341772e-01 -2.30519836e+01 7 2.38832639e+01 -2.44665712e+01 -1.13464004e+00 8 3.32784428e+01 -5.24137654e+01 -4.85999030e+01 9 -3.10980538e+01 4.66356405e-01 -3.14298540e+01 10 -1.42041688e-01 2.93042704e+01 -2.91162869e+01 11 -2.87346393e+01 3.06256124e+01 -3.88487408e+01 12 -3.06616743e+01 3.08797524e+01 -5.56335665e-01 13 2.24545700e+01 1.74313237e+01 -4.63216363e+01 14 3.91049340e+00 4.09773288e+00 -3.88115174e+00 15 5.01081022e+01 1.86699388e+01 -2.51106634e+01 16 2.09187105e+01 5.06671505e+01 -2.22939550e+01 17 -2.49996249e+01 -2.54231237e+01 1.03296353e-01 18 -4.21698600e+01 -5.07287756e+01 2.82047381e+01 19 -5.48495762e-01 -2.59672870e+01 2.52436566e+01 20 -2.85351554e+01 -1.35651334e+00 2.78767733e+01 21 1.80580001e+01 -4.25164982e+01 1.65109248e+01 22 5.31419447e+01 -2.68825952e+01 1.88445694e+01 23 6.19897822e+00 -6.69258098e+00 6.34675626e+00 24 2.08606594e+01 -2.74519258e+01 5.64603672e+01 25 -5.08781913e+01 1.96345310e+01 2.37338909e+01 26 -2.54330884e+01 5.66452572e+01 2.28734029e+01 27 -2.47826498e+01 1.94909573e+01 5.08112100e+01 28 -5.96629495e+00 5.97438286e+00 6.07038767e+00 29 3.96010762e+01 4.77451155e+01 3.26759674e+01 30 3.11125683e+01 3.16146105e+01 6.69957956e-01 31 3.12994552e+01 7.61172868e-01 3.13583255e+01 32 8.09076895e-01 3.18892294e+01 3.15002686e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==86278== Memcheck, a memory error detector ==86278== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==86278== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==86278== Command: python runner2.py EAM_Dynamo_FellingerParkWilkins_2010_Nb__MO_102133002179_005 ==86278== ==86278== Conditional jump or move depends on uninitialised value(s) ==86278== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==86278== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==86278== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86278== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86278== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==86278== by 0x5BA640: ??? (in /usr/bin/python3.6) ==86278== by 0x551B80: ??? (in /usr/bin/python3.6) ==86278== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==86278== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==86278== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86278== by 0x509D47: ??? (in /usr/bin/python3.6) ==86278== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==86278== ==86278== Conditional jump or move depends on uninitialised value(s) ==86278== at 0x4E63408: internal_utf8_loop (loop.c:298) ==86278== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==86278== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==86278== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86278== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86278== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==86278== by 0x5BA640: ??? (in /usr/bin/python3.6) ==86278== by 0x551B80: ??? (in /usr/bin/python3.6) ==86278== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==86278== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==86278== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86278== by 0x509D47: ??? (in /usr/bin/python3.6) ==86278== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==86278== ==86278== Conditional jump or move depends on uninitialised value(s) ==86278== at 0x4E63411: internal_utf8_loop (loop.c:303) ==86278== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==86278== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==86278== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86278== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86278== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==86278== by 0x5BA640: ??? (in /usr/bin/python3.6) ==86278== by 0x551B80: ??? (in /usr/bin/python3.6) ==86278== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==86278== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==86278== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86278== by 0x509D47: ??? (in /usr/bin/python3.6) ==86278== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==86278== ==86278== Conditional jump or move depends on uninitialised value(s) ==86278== at 0x4E63458: internal_utf8_loop (loop.c:298) ==86278== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==86278== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==86278== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86278== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86278== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==86278== by 0x5BA640: ??? (in /usr/bin/python3.6) ==86278== by 0x551B80: ??? (in /usr/bin/python3.6) ==86278== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==86278== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==86278== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86278== by 0x509D47: ??? (in /usr/bin/python3.6) ==86278== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==86278== ==86278== Conditional jump or move depends on uninitialised value(s) ==86278== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==86278== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==86278== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86278== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86278== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==86278== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==86278== by 0x4F8388: ??? (in /usr/bin/python3.6) ==86278== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==86278== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==86278== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==86278== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==86278== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86278== ==86278== ==86278== HEAP SUMMARY: ==86278== in use at exit: 2,765,011 bytes in 1,647 blocks ==86278== total heap usage: 38,792 allocs, 37,145 frees, 78,160,684 bytes allocated ==86278== ==86278== LEAK SUMMARY: ==86278== definitely lost: 0 bytes in 0 blocks ==86278== indirectly lost: 0 bytes in 0 blocks ==86278== possibly lost: 146,155 bytes in 87 blocks ==86278== still reachable: 2,618,856 bytes in 1,560 blocks ==86278== suppressed: 0 bytes in 0 blocks ==86278== Rerun with --leak-check=full to see details of leaked memory ==86278== ==86278== For counts of detected and suppressed errors, rerun with: -v ==86278== Use --track-origins=yes to see where uninitialised values come from ==86278== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12396 from 656) ================================================================================ 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.