!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_2016E_User01__MO_971845881377_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 = 11536.057515749011 Forces: 1 9.20062506e+00 2.76202544e+00 8.99374951e+00 2 -1.80896486e+02 9.54472924e+02 -5.54715896e+02 3 -5.03364619e+04 -7.77401787e+04 -3.03179910e+04 4 -5.03087921e+01 -1.26528299e+02 5.88289688e+01 5 -3.61818797e+02 -1.22115914e+03 3.74569163e+02 6 4.51310479e+00 1.76783470e+00 -5.65947488e+00 7 -9.83811903e+02 -2.50717562e+04 -7.86464911e+01 8 1.23182492e+03 2.52375888e+04 1.52933397e+02 9 -1.33292957e+02 -1.44929592e+00 -7.15274783e+02 10 -3.59753205e+03 3.53031133e+03 -8.60793901e+03 11 8.39829887e+02 -1.01284116e+03 -1.81796586e+03 12 -6.36184931e+02 2.58183448e+02 -8.54857544e+00 13 -1.21517337e+03 -1.26166372e+03 -9.34795295e+02 14 1.36824037e+03 1.65789236e+03 -4.55862201e+03 15 -1.43721263e+01 -5.66992571e+02 3.15927683e+03 16 4.22599513e+03 -2.90036681e+03 8.63575716e+03 17 -1.14272525e+02 -1.96863905e+01 1.37235487e+02 18 5.04566385e+04 7.77652709e+04 3.01754922e+04 19 7.63316398e+00 -4.50274852e+01 -2.21357290e+01 20 -1.98846964e+01 3.08372031e+01 5.76314721e+00 21 -2.49069043e+01 -1.44113908e+00 6.01228536e+00 22 3.22569053e+02 -8.65033371e-01 1.74463982e+02 23 6.93209891e+00 -1.15004475e+00 8.65460771e+00 24 1.49338503e+01 1.47251862e+01 1.40375257e+00 25 -7.28622552e+02 2.18642818e+02 2.34485728e+03 26 1.26289990e+03 3.20955731e+03 -3.78297710e+03 27 6.13069131e+03 -9.06326797e+03 -2.48465724e+03 28 -8.90700868e+03 6.56894407e+03 4.66319921e+03 29 -3.81465890e+03 -5.21509101e+03 1.16144556e+03 30 3.66889817e+03 5.47947099e+03 1.12777009e+03 31 7.48982516e+00 -9.41739590e-01 -7.48636993e+00 32 1.56091766e+03 -6.80020370e+02 1.70075800e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = user01 (Configuration in file "config-T-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11536.057515749011 Forces: 1 9.20062506e+00 2.76202544e+00 8.99374951e+00 2 -1.80896486e+02 9.54472924e+02 -5.54715896e+02 3 -5.03364619e+04 -7.77401787e+04 -3.03179910e+04 4 -5.03087921e+01 -1.26528299e+02 5.88289688e+01 5 -3.61818797e+02 -1.22115914e+03 3.74569163e+02 6 4.51310479e+00 1.76783470e+00 -5.65947488e+00 7 -9.83811903e+02 -2.50717562e+04 -7.86464911e+01 8 1.23182492e+03 2.52375888e+04 1.52933397e+02 9 -1.33292957e+02 -1.44929592e+00 -7.15274783e+02 10 -3.59753205e+03 3.53031133e+03 -8.60793901e+03 11 8.39829887e+02 -1.01284116e+03 -1.81796586e+03 12 -6.36184931e+02 2.58183448e+02 -8.54857544e+00 13 -1.21517337e+03 -1.26166372e+03 -9.34795295e+02 14 1.36824037e+03 1.65789236e+03 -4.55862201e+03 15 -1.43721263e+01 -5.66992571e+02 3.15927683e+03 16 4.22599513e+03 -2.90036681e+03 8.63575716e+03 17 -1.14272525e+02 -1.96863905e+01 1.37235487e+02 18 5.04566385e+04 7.77652709e+04 3.01754922e+04 19 7.63316398e+00 -4.50274852e+01 -2.21357290e+01 20 -1.98846964e+01 3.08372031e+01 5.76314721e+00 21 -2.49069043e+01 -1.44113908e+00 6.01228536e+00 22 3.22569053e+02 -8.65033371e-01 1.74463982e+02 23 6.93209891e+00 -1.15004475e+00 8.65460771e+00 24 1.49338503e+01 1.47251862e+01 1.40375257e+00 25 -7.28622552e+02 2.18642818e+02 2.34485728e+03 26 1.26289990e+03 3.20955731e+03 -3.78297710e+03 27 6.13069131e+03 -9.06326797e+03 -2.48465724e+03 28 -8.90700868e+03 6.56894407e+03 4.66319921e+03 29 -3.81465890e+03 -5.21509101e+03 1.16144556e+03 30 3.66889817e+03 5.47947099e+03 1.12777009e+03 31 7.48982516e+00 -9.41739590e-01 -7.48636993e+00 32 1.56091766e+03 -6.80020370e+02 1.70075800e+03 ================================================================================ VALGRIND OUTPUT ================================================================================ ==20736== Memcheck, a memory error detector ==20736== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==20736== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==20736== Command: python runner2.py TIDP_RajanWarnerCurtin_2016E_User01__MO_971845881377_001 ==20736== ==20736== Conditional jump or move depends on uninitialised value(s) ==20736== at 0x4FCDC2C: __wcsnlen_avx2 (strlen-avx2.S:106) ==20736== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==20736== by 0x4E81C40: wcstombs (wcstombs.c:34) ==20736== by 0x5471CF: ??? (in /usr/bin/python3.6) ==20736== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==20736== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==20736== by 0x5515C0: ??? (in /usr/bin/python3.6) ==20736== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==20736== by 0x50A432: ??? (in /usr/bin/python3.6) ==20736== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==20736== by 0x5095C7: ??? (in /usr/bin/python3.6) ==20736== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==20736== ==20736== Conditional jump or move depends on uninitialised value(s) ==20736== at 0x4E654E8: internal_utf8_loop (loop.c:298) ==20736== by 0x4E654E8: __gconv_transform_internal_utf8 (skeleton.c:609) ==20736== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==20736== by 0x4E81C40: wcstombs (wcstombs.c:34) ==20736== by 0x5471CF: ??? (in /usr/bin/python3.6) ==20736== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==20736== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==20736== by 0x5515C0: ??? (in /usr/bin/python3.6) ==20736== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==20736== by 0x50A432: ??? (in /usr/bin/python3.6) ==20736== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==20736== by 0x5095C7: ??? (in /usr/bin/python3.6) ==20736== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==20736== ==20736== Conditional jump or move depends on uninitialised value(s) ==20736== at 0x4E654F1: internal_utf8_loop (loop.c:303) ==20736== by 0x4E654F1: __gconv_transform_internal_utf8 (skeleton.c:609) ==20736== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==20736== by 0x4E81C40: wcstombs (wcstombs.c:34) ==20736== by 0x5471CF: ??? (in /usr/bin/python3.6) ==20736== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==20736== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==20736== by 0x5515C0: ??? (in /usr/bin/python3.6) ==20736== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==20736== by 0x50A432: ??? (in /usr/bin/python3.6) ==20736== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==20736== by 0x5095C7: ??? (in /usr/bin/python3.6) ==20736== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==20736== ==20736== Conditional jump or move depends on uninitialised value(s) ==20736== at 0x4E65538: internal_utf8_loop (loop.c:298) ==20736== by 0x4E65538: __gconv_transform_internal_utf8 (skeleton.c:609) ==20736== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==20736== by 0x4E81C40: wcstombs (wcstombs.c:34) ==20736== by 0x5471CF: ??? (in /usr/bin/python3.6) ==20736== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==20736== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==20736== by 0x5515C0: ??? (in /usr/bin/python3.6) ==20736== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==20736== by 0x50A432: ??? (in /usr/bin/python3.6) ==20736== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==20736== by 0x5095C7: ??? (in /usr/bin/python3.6) ==20736== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==20736== ==20736== Conditional jump or move depends on uninitialised value(s) ==20736== at 0x4FCDDB7: __wcsnlen_avx2 (strlen-avx2.S:264) ==20736== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==20736== by 0x4E81C40: wcstombs (wcstombs.c:34) ==20736== by 0x5471CF: ??? (in /usr/bin/python3.6) ==20736== by 0x5474B0: PyUnicode_FSConverter (in /usr/bin/python3.6) ==20736== by 0x4C4D46: ??? (in /usr/bin/python3.6) ==20736== by 0x4F7E48: ??? (in /usr/bin/python3.6) ==20736== by 0x4FB843: ??? (in /usr/bin/python3.6) ==20736== by 0x4FC3D4: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==20736== by 0x4C6448: ??? (in /usr/bin/python3.6) ==20736== by 0x50A259: ??? (in /usr/bin/python3.6) ==20736== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==20736== ==20736== ==20736== HEAP SUMMARY: ==20736== in use at exit: 2,776,527 bytes in 1,537 blocks ==20736== total heap usage: 50,189 allocs, 48,652 frees, 62,865,615 bytes allocated ==20736== ==20736== LEAK SUMMARY: ==20736== definitely lost: 0 bytes in 0 blocks ==20736== indirectly lost: 0 bytes in 0 blocks ==20736== possibly lost: 145,616 bytes in 85 blocks ==20736== still reachable: 2,630,911 bytes in 1,452 blocks ==20736== suppressed: 0 bytes in 0 blocks ==20736== Rerun with --leak-check=full to see details of leaked memory ==20736== ==20736== For counts of detected and suppressed errors, rerun with: -v ==20736== Use --track-origins=yes to see where uninitialised values come from ==20736== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12638 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.