!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_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 = 11585.076984643487 Forces: 1 8.50602087e+00 2.66469365e+00 8.30084330e+00 2 -1.81555389e+02 9.57281883e+02 -5.55787563e+02 3 -5.06099901e+04 -7.81621262e+04 -3.04816155e+04 4 -5.04840623e+01 -1.26958107e+02 5.82515131e+01 5 -3.61477552e+02 -1.22518578e+03 3.74905045e+02 6 3.26807436e+00 1.77364633e+00 -4.83002473e+00 7 -9.88954415e+02 -2.51894623e+04 -7.94010695e+01 8 1.23774914e+03 2.53551483e+04 1.53797904e+02 9 -1.33108877e+02 -1.64253449e+00 -7.16218824e+02 10 -3.61267788e+03 3.54504384e+03 -8.64377009e+03 11 8.42734551e+02 -1.01581315e+03 -1.82382472e+03 12 -6.37385816e+02 2.58861519e+02 -8.40323860e+00 13 -1.21782153e+03 -1.26618476e+03 -9.37705588e+02 14 1.37237239e+03 1.66369687e+03 -4.57562697e+03 15 -1.48370775e+01 -5.68912997e+02 3.17241834e+03 16 4.24176833e+03 -2.91368995e+03 8.67099020e+03 17 -1.14709054e+02 -2.02093602e+01 1.37118344e+02 18 5.07302273e+04 7.81876050e+04 3.03388048e+04 19 8.32542652e+00 -4.51073163e+01 -2.18368751e+01 20 -2.01390138e+01 3.10177496e+01 6.32802503e+00 21 -2.51500479e+01 -1.40903728e+00 5.32247810e+00 22 3.23294961e+02 -8.71861641e-01 1.74523890e+02 23 6.94208772e+00 -1.15170190e+00 8.66707857e+00 24 1.47956263e+01 1.56480733e+01 1.80816440e+00 25 -7.30615752e+02 2.19940161e+02 2.35173643e+03 26 1.26724260e+03 3.22142762e+03 -3.79654486e+03 27 6.15912899e+03 -9.10041556e+03 -2.49676635e+03 28 -8.94596312e+03 6.59729375e+03 4.68381875e+03 29 -3.82911935e+03 -5.23509310e+03 1.16415878e+03 30 3.68359020e+03 5.50064283e+03 1.13158265e+03 31 7.62899384e+00 -9.25769091e-01 -7.18237099e+00 32 1.56641433e+03 -6.82886429e+02 1.70698082e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = user01 (Configuration in file "config-T-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11585.076984643487 Forces: 1 8.50602087e+00 2.66469365e+00 8.30084330e+00 2 -1.81555389e+02 9.57281883e+02 -5.55787563e+02 3 -5.06099901e+04 -7.81621262e+04 -3.04816155e+04 4 -5.04840623e+01 -1.26958107e+02 5.82515131e+01 5 -3.61477552e+02 -1.22518578e+03 3.74905045e+02 6 3.26807436e+00 1.77364633e+00 -4.83002473e+00 7 -9.88954415e+02 -2.51894623e+04 -7.94010695e+01 8 1.23774914e+03 2.53551483e+04 1.53797904e+02 9 -1.33108877e+02 -1.64253449e+00 -7.16218824e+02 10 -3.61267788e+03 3.54504384e+03 -8.64377009e+03 11 8.42734551e+02 -1.01581315e+03 -1.82382472e+03 12 -6.37385816e+02 2.58861519e+02 -8.40323860e+00 13 -1.21782153e+03 -1.26618476e+03 -9.37705588e+02 14 1.37237239e+03 1.66369687e+03 -4.57562697e+03 15 -1.48370775e+01 -5.68912997e+02 3.17241834e+03 16 4.24176833e+03 -2.91368995e+03 8.67099020e+03 17 -1.14709054e+02 -2.02093602e+01 1.37118344e+02 18 5.07302273e+04 7.81876050e+04 3.03388048e+04 19 8.32542652e+00 -4.51073163e+01 -2.18368751e+01 20 -2.01390138e+01 3.10177496e+01 6.32802503e+00 21 -2.51500479e+01 -1.40903728e+00 5.32247810e+00 22 3.23294961e+02 -8.71861641e-01 1.74523890e+02 23 6.94208772e+00 -1.15170190e+00 8.66707857e+00 24 1.47956263e+01 1.56480733e+01 1.80816440e+00 25 -7.30615752e+02 2.19940161e+02 2.35173643e+03 26 1.26724260e+03 3.22142762e+03 -3.79654486e+03 27 6.15912899e+03 -9.10041556e+03 -2.49676635e+03 28 -8.94596312e+03 6.59729375e+03 4.68381875e+03 29 -3.82911935e+03 -5.23509310e+03 1.16415878e+03 30 3.68359020e+03 5.50064283e+03 1.13158265e+03 31 7.62899384e+00 -9.25769091e-01 -7.18237099e+00 32 1.56641433e+03 -6.82886429e+02 1.70698082e+03 ================================================================================ VALGRIND OUTPUT ================================================================================ ==7449== Memcheck, a memory error detector ==7449== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==7449== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==7449== Command: python runner2.py TIDP_RajanWarnerCurtin_2016D_User01__MO_791486224463_000 ==7449== ==7449== Conditional jump or move depends on uninitialised value(s) ==7449== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==7449== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==7449== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7449== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7449== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7449== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7449== by 0x551B80: ??? (in /usr/bin/python3.6) ==7449== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7449== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7449== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7449== by 0x509D47: ??? (in /usr/bin/python3.6) ==7449== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7449== ==7449== Conditional jump or move depends on uninitialised value(s) ==7449== at 0x4E63408: internal_utf8_loop (loop.c:298) ==7449== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==7449== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==7449== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7449== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7449== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7449== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7449== by 0x551B80: ??? (in /usr/bin/python3.6) ==7449== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7449== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7449== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7449== by 0x509D47: ??? (in /usr/bin/python3.6) ==7449== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7449== ==7449== Conditional jump or move depends on uninitialised value(s) ==7449== at 0x4E63411: internal_utf8_loop (loop.c:303) ==7449== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==7449== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==7449== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7449== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7449== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7449== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7449== by 0x551B80: ??? (in /usr/bin/python3.6) ==7449== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7449== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7449== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7449== by 0x509D47: ??? (in /usr/bin/python3.6) ==7449== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7449== ==7449== Conditional jump or move depends on uninitialised value(s) ==7449== at 0x4E63458: internal_utf8_loop (loop.c:298) ==7449== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==7449== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==7449== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7449== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7449== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7449== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7449== by 0x551B80: ??? (in /usr/bin/python3.6) ==7449== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7449== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7449== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7449== by 0x509D47: ??? (in /usr/bin/python3.6) ==7449== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7449== ==7449== Conditional jump or move depends on uninitialised value(s) ==7449== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==7449== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==7449== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7449== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7449== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==7449== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==7449== by 0x4F8388: ??? (in /usr/bin/python3.6) ==7449== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==7449== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==7449== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==7449== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==7449== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7449== ==7449== ==7449== HEAP SUMMARY: ==7449== in use at exit: 2,764,995 bytes in 1,647 blocks ==7449== total heap usage: 36,296 allocs, 34,649 frees, 61,156,955 bytes allocated ==7449== ==7449== LEAK SUMMARY: ==7449== definitely lost: 0 bytes in 0 blocks ==7449== indirectly lost: 0 bytes in 0 blocks ==7449== possibly lost: 146,155 bytes in 87 blocks ==7449== still reachable: 2,618,840 bytes in 1,560 blocks ==7449== suppressed: 0 bytes in 0 blocks ==7449== Rerun with --leak-check=full to see details of leaked memory ==7449== ==7449== For counts of detected and suppressed errors, rerun with: -v ==7449== Use --track-origins=yes to see where uninitialised values come from ==7449== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12364 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.