!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Morse_SigmoidalSmoothed_Jelinek_1972_Ar__MO_071460865933_002 Supported species : Ar random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ar (Configuration in file "config-F-Ar.xyz") ----------------------------------------------------------------------------------------------------- Energy = 4.111448859247961 Forces: 1 -1.22689526e-01 -2.91390627e-01 -1.62725443e-01 2 -6.85262923e-03 7.86685669e-04 -2.68779345e-01 3 -2.48784789e-02 -2.76002275e-01 -7.06726487e-02 4 -2.60571784e-01 9.94462828e-02 8.07385715e-03 5 4.24693398e-02 -2.67386657e-01 -1.47393944e-01 6 1.49472629e-01 -3.67142136e-02 -1.44324435e-01 7 1.27975260e-01 -2.00259797e-01 -1.31602691e-01 8 -1.32464627e-01 -1.87661401e-01 9.83087278e-02 9 -1.10924728e-01 1.64129882e-02 -3.48021201e-01 10 -1.19692217e-01 4.05540928e-01 -3.98324715e-01 11 -7.57825520e-02 -2.02907973e-01 -9.37804364e-02 12 -2.88519565e-01 2.62212056e-01 -5.49748710e-02 13 2.11196196e-01 -4.05598197e-02 -4.69009056e-01 14 1.89182411e-01 1.55098187e-01 -1.44196623e-01 15 3.69701818e-01 -1.08380754e-01 -2.29528420e-01 16 3.69060233e-02 4.37698319e-01 2.02239815e-01 17 -3.41000947e-01 -2.23749322e-01 -5.63473974e-02 18 -5.88020280e-02 1.01152798e-01 -1.99555528e-04 19 1.57942662e-01 -2.47204996e-01 1.95410925e-01 20 -1.59499381e-01 1.34215749e-01 2.78227484e-01 21 2.89621392e-02 -2.75932503e-01 1.77839776e-01 22 3.57990679e-01 -7.35323581e-02 4.42050742e-02 23 1.32775931e-01 -5.30272529e-02 1.56396074e-01 24 1.80880558e-02 -6.68469983e-02 2.11028373e-01 25 -3.80052954e-01 3.09927387e-02 2.29860955e-01 26 -8.94733055e-02 3.26004438e-01 -1.76738776e-02 27 7.66865401e-02 -2.56148292e-01 1.91108742e-01 28 -4.95670247e-01 3.15030267e-01 1.15411740e-01 29 4.94679810e-02 1.40321624e-02 1.01963621e-01 30 3.22578847e-01 3.05802459e-01 -1.88696721e-02 31 2.94147036e-01 4.06009954e-02 3.95995198e-01 32 1.01331421e-01 1.62678183e-01 3.50353968e-01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ar (Configuration in file "config-T-Ar.xyz") ----------------------------------------------------------------------------------------------------- Energy = 4.111448859247961 Forces: 1 -1.22689526e-01 -2.91390627e-01 -1.62725443e-01 2 -6.85262923e-03 7.86685669e-04 -2.68779345e-01 3 -2.48784789e-02 -2.76002275e-01 -7.06726487e-02 4 -2.60571784e-01 9.94462828e-02 8.07385715e-03 5 4.24693398e-02 -2.67386657e-01 -1.47393944e-01 6 1.49472629e-01 -3.67142136e-02 -1.44324435e-01 7 1.27975260e-01 -2.00259797e-01 -1.31602691e-01 8 -1.32464627e-01 -1.87661401e-01 9.83087278e-02 9 -1.10924728e-01 1.64129882e-02 -3.48021201e-01 10 -1.19692217e-01 4.05540928e-01 -3.98324715e-01 11 -7.57825520e-02 -2.02907973e-01 -9.37804364e-02 12 -2.88519565e-01 2.62212056e-01 -5.49748710e-02 13 2.11196196e-01 -4.05598197e-02 -4.69009056e-01 14 1.89182411e-01 1.55098187e-01 -1.44196623e-01 15 3.69701818e-01 -1.08380754e-01 -2.29528420e-01 16 3.69060233e-02 4.37698319e-01 2.02239815e-01 17 -3.41000947e-01 -2.23749322e-01 -5.63473974e-02 18 -5.88020280e-02 1.01152798e-01 -1.99555528e-04 19 1.57942662e-01 -2.47204996e-01 1.95410925e-01 20 -1.59499381e-01 1.34215749e-01 2.78227484e-01 21 2.89621392e-02 -2.75932503e-01 1.77839776e-01 22 3.57990679e-01 -7.35323581e-02 4.42050742e-02 23 1.32775931e-01 -5.30272529e-02 1.56396074e-01 24 1.80880558e-02 -6.68469983e-02 2.11028373e-01 25 -3.80052954e-01 3.09927387e-02 2.29860955e-01 26 -8.94733055e-02 3.26004438e-01 -1.76738776e-02 27 7.66865401e-02 -2.56148292e-01 1.91108742e-01 28 -4.95670247e-01 3.15030267e-01 1.15411740e-01 29 4.94679810e-02 1.40321624e-02 1.01963621e-01 30 3.22578847e-01 3.05802459e-01 -1.88696721e-02 31 2.94147036e-01 4.06009954e-02 3.95995198e-01 32 1.01331421e-01 1.62678183e-01 3.50353968e-01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==907== Memcheck, a memory error detector ==907== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==907== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==907== Command: python runner2.py Morse_SigmoidalSmoothed_Jelinek_1972_Ar__MO_071460865933_002 ==907== ==907== Conditional jump or move depends on uninitialised value(s) ==907== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==907== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==907== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==907== by 0x547A3F: ??? (in /usr/bin/python3.6) ==907== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==907== by 0x5BA640: ??? (in /usr/bin/python3.6) ==907== by 0x551B80: ??? (in /usr/bin/python3.6) ==907== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==907== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==907== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==907== by 0x509D47: ??? (in /usr/bin/python3.6) ==907== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==907== ==907== Conditional jump or move depends on uninitialised value(s) ==907== at 0x4E63408: internal_utf8_loop (loop.c:298) ==907== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==907== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==907== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==907== by 0x547A3F: ??? (in /usr/bin/python3.6) ==907== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==907== by 0x5BA640: ??? (in /usr/bin/python3.6) ==907== by 0x551B80: ??? (in /usr/bin/python3.6) ==907== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==907== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==907== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==907== by 0x509D47: ??? (in /usr/bin/python3.6) ==907== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==907== ==907== Conditional jump or move depends on uninitialised value(s) ==907== at 0x4E63411: internal_utf8_loop (loop.c:303) ==907== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==907== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==907== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==907== by 0x547A3F: ??? (in /usr/bin/python3.6) ==907== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==907== by 0x5BA640: ??? (in /usr/bin/python3.6) ==907== by 0x551B80: ??? (in /usr/bin/python3.6) ==907== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==907== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==907== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==907== by 0x509D47: ??? (in /usr/bin/python3.6) ==907== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==907== ==907== Conditional jump or move depends on uninitialised value(s) ==907== at 0x4E63458: internal_utf8_loop (loop.c:298) ==907== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==907== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==907== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==907== by 0x547A3F: ??? (in /usr/bin/python3.6) ==907== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==907== by 0x5BA640: ??? (in /usr/bin/python3.6) ==907== by 0x551B80: ??? (in /usr/bin/python3.6) ==907== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==907== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==907== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==907== by 0x509D47: ??? (in /usr/bin/python3.6) ==907== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==907== ==907== Conditional jump or move depends on uninitialised value(s) ==907== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==907== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==907== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==907== by 0x547A3F: ??? (in /usr/bin/python3.6) ==907== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==907== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==907== by 0x4F8388: ??? (in /usr/bin/python3.6) ==907== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==907== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==907== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==907== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==907== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==907== ==907== ==907== HEAP SUMMARY: ==907== in use at exit: 2,764,995 bytes in 1,647 blocks ==907== total heap usage: 36,740 allocs, 35,093 frees, 61,474,302 bytes allocated ==907== ==907== LEAK SUMMARY: ==907== definitely lost: 0 bytes in 0 blocks ==907== indirectly lost: 0 bytes in 0 blocks ==907== possibly lost: 146,155 bytes in 87 blocks ==907== still reachable: 2,618,840 bytes in 1,560 blocks ==907== suppressed: 0 bytes in 0 blocks ==907== Rerun with --leak-check=full to see details of leaked memory ==907== ==907== For counts of detected and suppressed errors, rerun with: -v ==907== Use --track-origins=yes to see where uninitialised values come from ==907== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12400 from 658) ================================================================================ 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.