!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_NicholAckland_2016v2_Cs__MO_144828415103_000 Supported species : Cs random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cs (Configuration in file "config-F-Cs.xyz") ----------------------------------------------------------------------------------------------------- Energy = 668.6439863231875 Forces: 1 -1.32632297e+01 -5.88951245e+01 -4.46715214e+01 2 -1.54183073e+01 1.89989288e+01 -2.91813422e+01 3 1.59525815e+00 -3.65288924e+01 -9.66950967e+00 4 -2.65824595e+01 4.06070576e+01 3.51468028e+01 5 1.29066384e+01 -4.51265176e+01 -1.59905119e+01 6 2.06749711e+01 3.85052013e+00 -2.64920366e+01 7 2.31737437e+01 -1.03979221e+02 -9.29541096e+01 8 -9.07215123e+01 -7.88209319e+01 -3.42610788e+00 9 -2.20948337e+01 -3.79922196e+01 -7.12443951e+01 10 -1.10647666e+01 5.54325295e+01 -6.48661551e+01 11 -2.09687015e+01 -3.50833347e+01 1.33107912e+01 12 -4.31469023e+01 5.62642079e+01 3.82974025e+01 13 -1.89732933e+01 -2.53768504e+01 -1.23755167e+02 14 2.45882278e+01 2.46586414e+01 -1.42974461e+01 15 1.51520564e+02 4.66535550e+01 1.67528750e+01 16 3.05708564e+01 8.70198395e+01 4.31001753e+01 17 -6.44831480e+01 -4.89880789e+01 -4.45824461e+01 18 1.35741244e+01 3.02781397e+01 2.86535908e+00 19 3.45995858e+01 -3.95471243e+01 3.85601283e+01 20 -2.20268771e+01 4.07635571e+01 4.77159523e+01 21 -3.39556367e+01 -3.86000888e+01 2.03239088e+01 22 7.33168739e+01 7.07524796e+01 8.45924619e+01 23 2.22085400e+01 -1.23661024e+01 2.28873567e+01 24 7.57113568e-01 1.53447601e+01 2.40473091e+01 25 -4.46728813e+01 -9.45814796e+00 -1.37812029e+00 26 -2.05110587e+01 6.24365256e+01 -2.46817489e+01 27 5.23884225e+01 -1.08517556e+02 4.21914993e+01 28 -9.91016315e+01 8.80713624e+01 2.06475165e+01 29 -1.92198554e+01 -1.95349528e+01 2.81638292e+01 30 2.70121993e+01 3.42033031e+01 -2.10519889e+00 31 4.94158304e+01 -2.26782664e+01 4.06695429e+01 32 2.79021458e+01 4.61580028e+01 5.00229057e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cs (Configuration in file "config-T-Cs.xyz") ----------------------------------------------------------------------------------------------------- Energy = 668.6439863231875 Forces: 1 -1.32632297e+01 -5.88951245e+01 -4.46715214e+01 2 -1.54183073e+01 1.89989288e+01 -2.91813422e+01 3 1.59525815e+00 -3.65288924e+01 -9.66950967e+00 4 -2.65824595e+01 4.06070576e+01 3.51468028e+01 5 1.29066384e+01 -4.51265176e+01 -1.59905119e+01 6 2.06749711e+01 3.85052013e+00 -2.64920366e+01 7 2.31737437e+01 -1.03979221e+02 -9.29541096e+01 8 -9.07215123e+01 -7.88209319e+01 -3.42610788e+00 9 -2.20948337e+01 -3.79922196e+01 -7.12443951e+01 10 -1.10647666e+01 5.54325295e+01 -6.48661551e+01 11 -2.09687015e+01 -3.50833347e+01 1.33107912e+01 12 -4.31469023e+01 5.62642079e+01 3.82974025e+01 13 -1.89732933e+01 -2.53768504e+01 -1.23755167e+02 14 2.45882278e+01 2.46586414e+01 -1.42974461e+01 15 1.51520564e+02 4.66535550e+01 1.67528750e+01 16 3.05708564e+01 8.70198395e+01 4.31001753e+01 17 -6.44831480e+01 -4.89880789e+01 -4.45824461e+01 18 1.35741244e+01 3.02781397e+01 2.86535908e+00 19 3.45995858e+01 -3.95471243e+01 3.85601283e+01 20 -2.20268771e+01 4.07635571e+01 4.77159523e+01 21 -3.39556367e+01 -3.86000888e+01 2.03239088e+01 22 7.33168739e+01 7.07524796e+01 8.45924619e+01 23 2.22085400e+01 -1.23661024e+01 2.28873567e+01 24 7.57113568e-01 1.53447601e+01 2.40473091e+01 25 -4.46728813e+01 -9.45814796e+00 -1.37812029e+00 26 -2.05110587e+01 6.24365256e+01 -2.46817489e+01 27 5.23884225e+01 -1.08517556e+02 4.21914993e+01 28 -9.91016315e+01 8.80713624e+01 2.06475165e+01 29 -1.92198554e+01 -1.95349528e+01 2.81638292e+01 30 2.70121993e+01 3.42033031e+01 -2.10519889e+00 31 4.94158304e+01 -2.26782664e+01 4.06695429e+01 32 2.79021458e+01 4.61580028e+01 5.00229057e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==89880== Memcheck, a memory error detector ==89880== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==89880== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==89880== Command: python runner2.py EAM_Dynamo_NicholAckland_2016v2_Cs__MO_144828415103_000 ==89880== ==89880== Conditional jump or move depends on uninitialised value(s) ==89880== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==89880== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==89880== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==89880== by 0x547A3F: ??? (in /usr/bin/python3.6) ==89880== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==89880== by 0x5BA640: ??? (in /usr/bin/python3.6) ==89880== by 0x551B80: ??? (in /usr/bin/python3.6) ==89880== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==89880== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==89880== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==89880== by 0x509D47: ??? (in /usr/bin/python3.6) ==89880== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==89880== ==89880== Conditional jump or move depends on uninitialised value(s) ==89880== at 0x4E63408: internal_utf8_loop (loop.c:298) ==89880== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==89880== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==89880== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==89880== by 0x547A3F: ??? (in /usr/bin/python3.6) ==89880== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==89880== by 0x5BA640: ??? (in /usr/bin/python3.6) ==89880== by 0x551B80: ??? (in /usr/bin/python3.6) ==89880== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==89880== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==89880== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==89880== by 0x509D47: ??? (in /usr/bin/python3.6) ==89880== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==89880== ==89880== Conditional jump or move depends on uninitialised value(s) ==89880== at 0x4E63411: internal_utf8_loop (loop.c:303) ==89880== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==89880== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==89880== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==89880== by 0x547A3F: ??? (in /usr/bin/python3.6) ==89880== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==89880== by 0x5BA640: ??? (in /usr/bin/python3.6) ==89880== by 0x551B80: ??? (in /usr/bin/python3.6) ==89880== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==89880== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==89880== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==89880== by 0x509D47: ??? (in /usr/bin/python3.6) ==89880== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==89880== ==89880== Conditional jump or move depends on uninitialised value(s) ==89880== at 0x4E63458: internal_utf8_loop (loop.c:298) ==89880== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==89880== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==89880== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==89880== by 0x547A3F: ??? (in /usr/bin/python3.6) ==89880== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==89880== by 0x5BA640: ??? (in /usr/bin/python3.6) ==89880== by 0x551B80: ??? (in /usr/bin/python3.6) ==89880== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==89880== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==89880== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==89880== by 0x509D47: ??? (in /usr/bin/python3.6) ==89880== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==89880== ==89880== Conditional jump or move depends on uninitialised value(s) ==89880== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==89880== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==89880== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==89880== by 0x547A3F: ??? (in /usr/bin/python3.6) ==89880== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==89880== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==89880== by 0x4F8388: ??? (in /usr/bin/python3.6) ==89880== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==89880== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==89880== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==89880== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==89880== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==89880== ==89880== ==89880== HEAP SUMMARY: ==89880== in use at exit: 2,764,995 bytes in 1,647 blocks ==89880== total heap usage: 36,172 allocs, 34,525 frees, 73,428,227 bytes allocated ==89880== ==89880== LEAK SUMMARY: ==89880== definitely lost: 0 bytes in 0 blocks ==89880== indirectly lost: 0 bytes in 0 blocks ==89880== possibly lost: 146,155 bytes in 87 blocks ==89880== still reachable: 2,618,840 bytes in 1,560 blocks ==89880== suppressed: 0 bytes in 0 blocks ==89880== Rerun with --leak-check=full to see details of leaked memory ==89880== ==89880== For counts of detected and suppressed errors, rerun with: -v ==89880== Use --track-origins=yes to see where uninitialised values come from ==89880== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12361 from 651) ================================================================================ 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.