!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : TIDP_RajanWarnerCurtin_2016B_User01__MO_217710069583_000 Supported species : user01 random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = user01 (Configuration in file "config-F-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11581.23968445676 Forces: 1 7.38727384e+00 2.68628780e+00 7.61619330e+00 2 -1.82487455e+02 9.57486706e+02 -5.54382399e+02 3 -5.06098725e+04 -7.81622751e+04 -3.04816355e+04 4 -5.09813839e+01 -1.27178389e+02 5.72580960e+01 5 -3.59139826e+02 -1.22559211e+03 3.73622926e+02 6 1.60921291e+00 1.64830984e+00 -4.02383341e+00 7 -9.89148713e+02 -2.51886274e+04 -7.97648766e+01 8 1.23787263e+03 2.53531006e+04 1.53719649e+02 9 -1.32173502e+02 -2.35810922e+00 -7.15035979e+02 10 -3.61289584e+03 3.54538250e+03 -8.64339577e+03 11 8.43447759e+02 -1.01664634e+03 -1.82199821e+03 12 -6.37189951e+02 2.58749508e+02 -8.09297112e+00 13 -1.21583102e+03 -1.26624924e+03 -9.37290447e+02 14 1.37194780e+03 1.66335583e+03 -4.57547615e+03 15 -1.42426011e+01 -5.68042777e+02 3.17262404e+03 16 4.23997756e+03 -2.91401157e+03 8.66974007e+03 17 -1.14992471e+02 -2.09771948e+01 1.36424069e+02 18 5.07295890e+04 7.81899561e+04 3.03384351e+04 19 9.63017214e+00 -4.51153940e+01 -2.13063366e+01 20 -2.05529696e+01 3.16980748e+01 6.59502179e+00 21 -2.56701579e+01 -1.61966502e+00 4.68901821e+00 22 3.23273888e+02 -8.78601099e-01 1.74375780e+02 23 6.53984880e+00 -8.78150807e-01 8.66036875e+00 24 1.50287943e+01 1.65922405e+01 2.39988769e+00 25 -7.28984607e+02 2.19850046e+02 2.34998984e+03 26 1.26665571e+03 3.22146957e+03 -3.79642010e+03 27 6.15968333e+03 -9.09975307e+03 -2.49693333e+03 28 -8.94696225e+03 6.59666453e+03 4.68473157e+03 29 -3.82914842e+03 -5.23456438e+03 1.16216817e+03 30 3.68281819e+03 5.50012731e+03 1.13266633e+03 31 7.80922809e+00 -9.14569524e-01 -6.71088446e+00 32 1.56700334e+03 -6.83085548e+02 1.70675065e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = user01 (Configuration in file "config-T-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11581.23968445676 Forces: 1 7.38727384e+00 2.68628780e+00 7.61619330e+00 2 -1.82487455e+02 9.57486706e+02 -5.54382399e+02 3 -5.06098725e+04 -7.81622751e+04 -3.04816355e+04 4 -5.09813839e+01 -1.27178389e+02 5.72580960e+01 5 -3.59139826e+02 -1.22559211e+03 3.73622926e+02 6 1.60921291e+00 1.64830984e+00 -4.02383341e+00 7 -9.89148713e+02 -2.51886274e+04 -7.97648766e+01 8 1.23787263e+03 2.53531006e+04 1.53719649e+02 9 -1.32173502e+02 -2.35810922e+00 -7.15035979e+02 10 -3.61289584e+03 3.54538250e+03 -8.64339577e+03 11 8.43447759e+02 -1.01664634e+03 -1.82199821e+03 12 -6.37189951e+02 2.58749508e+02 -8.09297112e+00 13 -1.21583102e+03 -1.26624924e+03 -9.37290447e+02 14 1.37194780e+03 1.66335583e+03 -4.57547615e+03 15 -1.42426011e+01 -5.68042777e+02 3.17262404e+03 16 4.23997756e+03 -2.91401157e+03 8.66974007e+03 17 -1.14992471e+02 -2.09771948e+01 1.36424069e+02 18 5.07295890e+04 7.81899561e+04 3.03384351e+04 19 9.63017214e+00 -4.51153940e+01 -2.13063366e+01 20 -2.05529696e+01 3.16980748e+01 6.59502179e+00 21 -2.56701579e+01 -1.61966502e+00 4.68901821e+00 22 3.23273888e+02 -8.78601099e-01 1.74375780e+02 23 6.53984880e+00 -8.78150807e-01 8.66036875e+00 24 1.50287943e+01 1.65922405e+01 2.39988769e+00 25 -7.28984607e+02 2.19850046e+02 2.34998984e+03 26 1.26665571e+03 3.22146957e+03 -3.79642010e+03 27 6.15968333e+03 -9.09975307e+03 -2.49693333e+03 28 -8.94696225e+03 6.59666453e+03 4.68473157e+03 29 -3.82914842e+03 -5.23456438e+03 1.16216817e+03 30 3.68281819e+03 5.50012731e+03 1.13266633e+03 31 7.80922809e+00 -9.14569524e-01 -6.71088446e+00 32 1.56700334e+03 -6.83085548e+02 1.70675065e+03 ================================================================================ VALGRIND OUTPUT ================================================================================ ==7329== Memcheck, a memory error detector ==7329== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==7329== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==7329== Command: python runner2.py TIDP_RajanWarnerCurtin_2016B_User01__MO_217710069583_000 ==7329== ==7329== Conditional jump or move depends on uninitialised value(s) ==7329== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==7329== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==7329== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7329== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7329== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7329== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7329== by 0x551B80: ??? (in /usr/bin/python3.6) ==7329== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7329== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7329== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7329== by 0x509D47: ??? (in /usr/bin/python3.6) ==7329== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7329== ==7329== Conditional jump or move depends on uninitialised value(s) ==7329== at 0x4E63408: internal_utf8_loop (loop.c:298) ==7329== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==7329== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==7329== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7329== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7329== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7329== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7329== by 0x551B80: ??? (in /usr/bin/python3.6) ==7329== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7329== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7329== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7329== by 0x509D47: ??? (in /usr/bin/python3.6) ==7329== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7329== ==7329== Conditional jump or move depends on uninitialised value(s) ==7329== at 0x4E63411: internal_utf8_loop (loop.c:303) ==7329== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==7329== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==7329== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7329== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7329== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7329== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7329== by 0x551B80: ??? (in /usr/bin/python3.6) ==7329== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7329== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7329== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7329== by 0x509D47: ??? (in /usr/bin/python3.6) ==7329== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7329== ==7329== Conditional jump or move depends on uninitialised value(s) ==7329== at 0x4E63458: internal_utf8_loop (loop.c:298) ==7329== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==7329== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==7329== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7329== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7329== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7329== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7329== by 0x551B80: ??? (in /usr/bin/python3.6) ==7329== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7329== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7329== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7329== by 0x509D47: ??? (in /usr/bin/python3.6) ==7329== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7329== ==7329== Conditional jump or move depends on uninitialised value(s) ==7329== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==7329== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==7329== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7329== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7329== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==7329== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==7329== by 0x4F8388: ??? (in /usr/bin/python3.6) ==7329== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==7329== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==7329== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==7329== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==7329== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7329== ==7329== ==7329== HEAP SUMMARY: ==7329== in use at exit: 2,764,995 bytes in 1,647 blocks ==7329== total heap usage: 36,296 allocs, 34,649 frees, 61,157,203 bytes allocated ==7329== ==7329== LEAK SUMMARY: ==7329== definitely lost: 0 bytes in 0 blocks ==7329== indirectly lost: 0 bytes in 0 blocks ==7329== possibly lost: 146,155 bytes in 87 blocks ==7329== still reachable: 2,618,840 bytes in 1,560 blocks ==7329== suppressed: 0 bytes in 0 blocks ==7329== Rerun with --leak-check=full to see details of leaked memory ==7329== ==7329== For counts of detected and suppressed errors, rerun with: -v ==7329== Use --track-origins=yes to see where uninitialised values come from ==7329== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12366 from 653) ================================================================================ 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.