!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : SW_ZhangXieHu_2014OptimizedSW1_Si__MO_800412945727_004 Supported species : Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 224.25499005448253 Forces: 1 -1.23219456e+01 -1.16902166e+01 -1.65093818e+01 2 -5.36183920e+00 1.09464186e+00 -2.90967890e+01 3 2.42410790e+00 -2.20275718e+01 -6.29906524e+00 4 -2.67165163e+01 2.54134257e+00 1.68787454e+00 5 3.26775588e+00 -2.34133914e+01 -1.02329274e+01 6 1.66864080e+01 -5.44375269e+00 -2.37157523e+01 7 1.33663641e+01 -4.38377707e+01 -1.36896979e+01 8 -2.10172036e+00 -2.03663689e+01 -1.19355200e+01 9 -2.79816075e+01 -2.25628035e+00 -2.72009924e+01 10 -1.75450075e+01 3.43098059e+01 -4.10169367e+01 11 -3.30099721e+01 -2.35645970e+01 3.02108832e+00 12 -2.70494209e+01 1.96491054e+01 1.93536176e+00 13 2.47730319e+01 -7.24674747e+00 -5.43824766e+01 14 1.36953625e+01 8.74073583e+00 -1.06714733e+01 15 5.32105623e+01 1.97613525e+01 -1.02314945e+01 16 1.51345522e+01 5.99601042e+01 2.48501122e+01 17 -2.26687644e+01 -1.32300391e+01 3.63550252e+00 18 -5.58901758e-01 2.64786103e+00 2.20619214e-01 19 1.17114031e-01 -1.66376125e+01 2.28625704e+01 20 -1.18679684e+01 4.89393668e+00 1.39547104e+01 21 3.30162639e+00 -2.84056525e+01 7.14305173e+00 22 4.29315875e+01 2.44281612e+00 2.05263945e+01 23 6.98567372e+00 -7.86712199e+00 1.16147419e+01 24 -1.92101471e+00 -7.40288039e+00 2.69874056e+01 25 -3.23021318e+01 -6.66022689e+00 -1.11701930e+00 26 -4.67172655e+00 3.96301776e+01 -6.55196681e+00 27 5.25816449e+00 -3.17307233e+01 3.33610344e+01 28 -4.04669502e+01 3.16454057e+01 1.25953011e+01 29 2.11559660e+00 -7.52776304e-02 2.02294764e+01 30 2.48241356e+01 2.26677311e+01 5.41117818e+00 31 2.21603270e+01 1.41385693e+00 2.38284758e+01 32 1.62931171e+01 2.04573577e+01 2.87865944e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 224.25499005448253 Forces: 1 -1.23219456e+01 -1.16902166e+01 -1.65093818e+01 2 -5.36183920e+00 1.09464186e+00 -2.90967890e+01 3 2.42410790e+00 -2.20275718e+01 -6.29906524e+00 4 -2.67165163e+01 2.54134257e+00 1.68787454e+00 5 3.26775588e+00 -2.34133914e+01 -1.02329274e+01 6 1.66864080e+01 -5.44375269e+00 -2.37157523e+01 7 1.33663641e+01 -4.38377707e+01 -1.36896979e+01 8 -2.10172036e+00 -2.03663689e+01 -1.19355200e+01 9 -2.79816075e+01 -2.25628035e+00 -2.72009924e+01 10 -1.75450075e+01 3.43098059e+01 -4.10169367e+01 11 -3.30099721e+01 -2.35645970e+01 3.02108832e+00 12 -2.70494209e+01 1.96491054e+01 1.93536176e+00 13 2.47730319e+01 -7.24674747e+00 -5.43824766e+01 14 1.36953625e+01 8.74073583e+00 -1.06714733e+01 15 5.32105623e+01 1.97613525e+01 -1.02314945e+01 16 1.51345522e+01 5.99601042e+01 2.48501122e+01 17 -2.26687644e+01 -1.32300391e+01 3.63550252e+00 18 -5.58901758e-01 2.64786103e+00 2.20619214e-01 19 1.17114031e-01 -1.66376125e+01 2.28625704e+01 20 -1.18679684e+01 4.89393668e+00 1.39547104e+01 21 3.30162639e+00 -2.84056525e+01 7.14305173e+00 22 4.29315875e+01 2.44281612e+00 2.05263945e+01 23 6.98567372e+00 -7.86712199e+00 1.16147419e+01 24 -1.92101471e+00 -7.40288039e+00 2.69874056e+01 25 -3.23021318e+01 -6.66022689e+00 -1.11701930e+00 26 -4.67172655e+00 3.96301776e+01 -6.55196681e+00 27 5.25816449e+00 -3.17307233e+01 3.33610344e+01 28 -4.04669502e+01 3.16454057e+01 1.25953011e+01 29 2.11559660e+00 -7.52776304e-02 2.02294764e+01 30 2.48241356e+01 2.26677311e+01 5.41117818e+00 31 2.21603270e+01 1.41385693e+00 2.38284758e+01 32 1.62931171e+01 2.04573577e+01 2.87865944e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2546== Memcheck, a memory error detector ==2546== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2546== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==2546== Command: python runner2.py SW_ZhangXieHu_2014OptimizedSW1_Si__MO_800412945727_004 ==2546== ==2546== Conditional jump or move depends on uninitialised value(s) ==2546== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==2546== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==2546== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2546== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2546== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==2546== by 0x5BA640: ??? (in /usr/bin/python3.6) ==2546== by 0x551B80: ??? (in /usr/bin/python3.6) ==2546== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==2546== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==2546== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2546== by 0x509D47: ??? (in /usr/bin/python3.6) ==2546== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==2546== ==2546== Conditional jump or move depends on uninitialised value(s) ==2546== at 0x4E63408: internal_utf8_loop (loop.c:298) ==2546== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==2546== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==2546== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2546== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2546== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==2546== by 0x5BA640: ??? (in /usr/bin/python3.6) ==2546== by 0x551B80: ??? (in /usr/bin/python3.6) ==2546== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==2546== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==2546== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2546== by 0x509D47: ??? (in /usr/bin/python3.6) ==2546== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==2546== ==2546== Conditional jump or move depends on uninitialised value(s) ==2546== at 0x4E63411: internal_utf8_loop (loop.c:303) ==2546== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==2546== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==2546== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2546== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2546== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==2546== by 0x5BA640: ??? (in /usr/bin/python3.6) ==2546== by 0x551B80: ??? (in /usr/bin/python3.6) ==2546== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==2546== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==2546== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2546== by 0x509D47: ??? (in /usr/bin/python3.6) ==2546== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==2546== ==2546== Conditional jump or move depends on uninitialised value(s) ==2546== at 0x4E63458: internal_utf8_loop (loop.c:298) ==2546== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==2546== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==2546== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2546== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2546== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==2546== by 0x5BA640: ??? (in /usr/bin/python3.6) ==2546== by 0x551B80: ??? (in /usr/bin/python3.6) ==2546== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==2546== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==2546== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2546== by 0x509D47: ??? (in /usr/bin/python3.6) ==2546== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==2546== ==2546== Conditional jump or move depends on uninitialised value(s) ==2546== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==2546== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==2546== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2546== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2546== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==2546== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==2546== by 0x4F8388: ??? (in /usr/bin/python3.6) ==2546== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==2546== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==2546== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==2546== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==2546== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2546== ==2546== ==2546== HEAP SUMMARY: ==2546== in use at exit: 2,764,995 bytes in 1,647 blocks ==2546== total heap usage: 36,339 allocs, 34,692 frees, 61,263,655 bytes allocated ==2546== ==2546== LEAK SUMMARY: ==2546== definitely lost: 0 bytes in 0 blocks ==2546== indirectly lost: 0 bytes in 0 blocks ==2546== possibly lost: 146,155 bytes in 87 blocks ==2546== still reachable: 2,618,840 bytes in 1,560 blocks ==2546== suppressed: 0 bytes in 0 blocks ==2546== Rerun with --leak-check=full to see details of leaked memory ==2546== ==2546== For counts of detected and suppressed errors, rerun with: -v ==2546== Use --track-origins=yes to see where uninitialised values come from ==2546== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12391 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.