!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_2016D_User01__MO_791486224463_001 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 = 11534.26454019433 Forces: 1 8.50170208e+00 2.66186469e+00 8.29347832e+00 2 -1.81016134e+02 9.54296745e+02 -5.54063785e+02 3 -5.03366559e+04 -7.77404511e+04 -3.03176318e+04 4 -5.03732582e+01 -1.26707853e+02 5.81291532e+01 5 -3.60509417e+02 -1.22141656e+03 3.73697389e+02 6 3.26101156e+00 1.77255632e+00 -4.81736411e+00 7 -9.83919080e+02 -2.50709726e+04 -7.89815760e+01 8 1.23190797e+03 2.52361418e+04 1.53169599e+02 9 -1.32663390e+02 -1.60882704e+00 -7.14295170e+02 10 -3.59738035e+03 3.53029827e+03 -8.60753710e+03 11 8.39957246e+02 -1.01268430e+03 -1.81700287e+03 12 -6.35691299e+02 2.58201665e+02 -8.37862964e+00 13 -1.21403844e+03 -1.26210067e+03 -9.34626013e+02 14 1.36747730e+03 1.65777956e+03 -4.55820495e+03 15 -1.41663670e+01 -5.66388986e+02 3.15934940e+03 16 4.22458247e+03 -2.90074421e+03 8.63463549e+03 17 -1.14446631e+02 -2.01580763e+01 1.36808989e+02 18 5.04566313e+04 7.77658703e+04 3.01751353e+04 19 8.30627685e+00 -4.50290039e+01 -2.18066620e+01 20 -2.00979113e+01 3.09628717e+01 6.31400263e+00 21 -2.51134605e+01 -1.40044535e+00 5.30997726e+00 22 3.22513972e+02 -8.82648463e-01 1.74076864e+02 23 6.93209891e+00 -1.15004475e+00 8.65460771e+00 24 1.47691358e+01 1.56230582e+01 1.80141600e+00 25 -7.28026181e+02 2.19056804e+02 2.34344155e+03 26 1.26217098e+03 3.20957228e+03 -3.78270290e+03 27 6.13090154e+03 -9.06267300e+03 -2.48479274e+03 28 -8.90750187e+03 6.56891436e+03 4.66367999e+03 29 -3.81428340e+03 -5.21471744e+03 1.16042599e+03 30 3.66919471e+03 5.47934018e+03 1.12800319e+03 31 7.61632914e+00 -9.23821080e-01 -7.17867665e+00 32 1.56115901e+03 -6.80482676e+02 1.70109380e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = user01 (Configuration in file "config-T-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11534.26454019433 Forces: 1 8.50170208e+00 2.66186469e+00 8.29347832e+00 2 -1.81016134e+02 9.54296745e+02 -5.54063785e+02 3 -5.03366559e+04 -7.77404511e+04 -3.03176318e+04 4 -5.03732582e+01 -1.26707853e+02 5.81291532e+01 5 -3.60509417e+02 -1.22141656e+03 3.73697389e+02 6 3.26101156e+00 1.77255632e+00 -4.81736411e+00 7 -9.83919080e+02 -2.50709726e+04 -7.89815760e+01 8 1.23190797e+03 2.52361418e+04 1.53169599e+02 9 -1.32663390e+02 -1.60882704e+00 -7.14295170e+02 10 -3.59738035e+03 3.53029827e+03 -8.60753710e+03 11 8.39957246e+02 -1.01268430e+03 -1.81700287e+03 12 -6.35691299e+02 2.58201665e+02 -8.37862964e+00 13 -1.21403844e+03 -1.26210067e+03 -9.34626013e+02 14 1.36747730e+03 1.65777956e+03 -4.55820495e+03 15 -1.41663670e+01 -5.66388986e+02 3.15934940e+03 16 4.22458247e+03 -2.90074421e+03 8.63463549e+03 17 -1.14446631e+02 -2.01580763e+01 1.36808989e+02 18 5.04566313e+04 7.77658703e+04 3.01751353e+04 19 8.30627685e+00 -4.50290039e+01 -2.18066620e+01 20 -2.00979113e+01 3.09628717e+01 6.31400263e+00 21 -2.51134605e+01 -1.40044535e+00 5.30997726e+00 22 3.22513972e+02 -8.82648463e-01 1.74076864e+02 23 6.93209891e+00 -1.15004475e+00 8.65460771e+00 24 1.47691358e+01 1.56230582e+01 1.80141600e+00 25 -7.28026181e+02 2.19056804e+02 2.34344155e+03 26 1.26217098e+03 3.20957228e+03 -3.78270290e+03 27 6.13090154e+03 -9.06267300e+03 -2.48479274e+03 28 -8.90750187e+03 6.56891436e+03 4.66367999e+03 29 -3.81428340e+03 -5.21471744e+03 1.16042599e+03 30 3.66919471e+03 5.47934018e+03 1.12800319e+03 31 7.61632914e+00 -9.23821080e-01 -7.17867665e+00 32 1.56115901e+03 -6.80482676e+02 1.70109380e+03 ================================================================================ VALGRIND OUTPUT ================================================================================ ==19410== Memcheck, a memory error detector ==19410== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==19410== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==19410== Command: python runner2.py TIDP_RajanWarnerCurtin_2016D_User01__MO_791486224463_001 ==19410== ==19410== Conditional jump or move depends on uninitialised value(s) ==19410== at 0x4FCDC2C: __wcsnlen_avx2 (strlen-avx2.S:106) ==19410== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==19410== by 0x4E81C40: wcstombs (wcstombs.c:34) ==19410== by 0x5471CF: ??? (in /usr/bin/python3.6) ==19410== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==19410== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==19410== by 0x5515C0: ??? (in /usr/bin/python3.6) ==19410== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==19410== by 0x50A432: ??? (in /usr/bin/python3.6) ==19410== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==19410== by 0x5095C7: ??? (in /usr/bin/python3.6) ==19410== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==19410== ==19410== Conditional jump or move depends on uninitialised value(s) ==19410== at 0x4E654E8: internal_utf8_loop (loop.c:298) ==19410== by 0x4E654E8: __gconv_transform_internal_utf8 (skeleton.c:609) ==19410== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==19410== by 0x4E81C40: wcstombs (wcstombs.c:34) ==19410== by 0x5471CF: ??? (in /usr/bin/python3.6) ==19410== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==19410== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==19410== by 0x5515C0: ??? (in /usr/bin/python3.6) ==19410== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==19410== by 0x50A432: ??? (in /usr/bin/python3.6) ==19410== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==19410== by 0x5095C7: ??? (in /usr/bin/python3.6) ==19410== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==19410== ==19410== Conditional jump or move depends on uninitialised value(s) ==19410== at 0x4E654F1: internal_utf8_loop (loop.c:303) ==19410== by 0x4E654F1: __gconv_transform_internal_utf8 (skeleton.c:609) ==19410== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==19410== by 0x4E81C40: wcstombs (wcstombs.c:34) ==19410== by 0x5471CF: ??? (in /usr/bin/python3.6) ==19410== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==19410== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==19410== by 0x5515C0: ??? (in /usr/bin/python3.6) ==19410== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==19410== by 0x50A432: ??? (in /usr/bin/python3.6) ==19410== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==19410== by 0x5095C7: ??? (in /usr/bin/python3.6) ==19410== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==19410== ==19410== Conditional jump or move depends on uninitialised value(s) ==19410== at 0x4E65538: internal_utf8_loop (loop.c:298) ==19410== by 0x4E65538: __gconv_transform_internal_utf8 (skeleton.c:609) ==19410== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==19410== by 0x4E81C40: wcstombs (wcstombs.c:34) ==19410== by 0x5471CF: ??? (in /usr/bin/python3.6) ==19410== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==19410== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==19410== by 0x5515C0: ??? (in /usr/bin/python3.6) ==19410== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==19410== by 0x50A432: ??? (in /usr/bin/python3.6) ==19410== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==19410== by 0x5095C7: ??? (in /usr/bin/python3.6) ==19410== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==19410== ==19410== Conditional jump or move depends on uninitialised value(s) ==19410== at 0x4FCDDB7: __wcsnlen_avx2 (strlen-avx2.S:264) ==19410== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==19410== by 0x4E81C40: wcstombs (wcstombs.c:34) ==19410== by 0x5471CF: ??? (in /usr/bin/python3.6) ==19410== by 0x5474B0: PyUnicode_FSConverter (in /usr/bin/python3.6) ==19410== by 0x4C4D46: ??? (in /usr/bin/python3.6) ==19410== by 0x4F7E48: ??? (in /usr/bin/python3.6) ==19410== by 0x4FB843: ??? (in /usr/bin/python3.6) ==19410== by 0x4FC3D4: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==19410== by 0x4C6448: ??? (in /usr/bin/python3.6) ==19410== by 0x50A259: ??? (in /usr/bin/python3.6) ==19410== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==19410== ==19410== ==19410== HEAP SUMMARY: ==19410== in use at exit: 2,776,527 bytes in 1,537 blocks ==19410== total heap usage: 50,189 allocs, 48,652 frees, 62,866,071 bytes allocated ==19410== ==19410== LEAK SUMMARY: ==19410== definitely lost: 0 bytes in 0 blocks ==19410== indirectly lost: 0 bytes in 0 blocks ==19410== possibly lost: 145,616 bytes in 85 blocks ==19410== still reachable: 2,630,911 bytes in 1,452 blocks ==19410== suppressed: 0 bytes in 0 blocks ==19410== Rerun with --leak-check=full to see details of leaked memory ==19410== ==19410== For counts of detected and suppressed errors, rerun with: -v ==19410== Use --track-origins=yes to see where uninitialised values come from ==19410== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12639 from 677) ================================================================================ 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.