!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_2016C_User01__MO_072437275969_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 = 11588.07440414341 Forces: 1 7.98897961e+00 2.71393962e+00 8.13060341e+00 2 -1.82258507e+02 9.57568474e+02 -5.54647082e+02 3 -5.06098140e+04 -7.81621297e+04 -3.04817796e+04 4 -5.07354772e+01 -1.27074943e+02 5.77276798e+01 5 -3.60070567e+02 -1.22534162e+03 3.74129366e+02 6 2.03135064e+00 1.70514966e+00 -4.05242626e+00 7 -9.89281626e+02 -2.51888005e+04 -7.95670628e+01 8 1.23786440e+03 2.53541540e+04 1.53855467e+02 9 -1.32105289e+02 -2.09526657e+00 -7.15215621e+02 10 -3.61267371e+03 3.54507713e+03 -8.64343153e+03 11 8.43424759e+02 -1.01650224e+03 -1.82260179e+03 12 -6.37061683e+02 2.58841458e+02 -8.22643116e+00 13 -1.21689784e+03 -1.26630112e+03 -9.37285769e+02 14 1.37182665e+03 1.66329808e+03 -4.57521793e+03 15 -1.45317730e+01 -5.68454517e+02 3.17252403e+03 16 4.24047298e+03 -2.91398345e+03 8.67018415e+03 17 -1.14857508e+02 -2.06115533e+01 1.36754682e+02 18 5.07300348e+04 7.81892725e+04 3.03382700e+04 19 9.20777048e+00 -4.51209372e+01 -2.16486332e+01 20 -2.02927449e+01 3.15279501e+01 6.28280878e+00 21 -2.56266604e+01 -1.38441365e+00 4.89872051e+00 22 3.23253844e+02 -8.85011043e-01 1.74234912e+02 23 6.57132327e+00 -8.99555682e-01 8.66089378e+00 24 1.50862806e+01 1.65781062e+01 2.07603346e+00 25 -7.29337409e+02 2.19801106e+02 2.35054775e+03 26 1.26706834e+03 3.22135821e+03 -3.79675857e+03 27 6.15953714e+03 -9.10022077e+03 -2.49682778e+03 28 -8.94647585e+03 6.59675012e+03 4.68429823e+03 29 -3.82946629e+03 -5.23476300e+03 1.16282547e+03 30 3.68280934e+03 5.50023070e+03 1.13221615e+03 31 7.58107058e+00 -1.09549466e+00 -6.91929485e+00 32 1.56672792e+03 -6.83212797e+02 1.70656258e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = user01 (Configuration in file "config-T-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11588.07440414341 Forces: 1 7.98897961e+00 2.71393962e+00 8.13060341e+00 2 -1.82258507e+02 9.57568474e+02 -5.54647082e+02 3 -5.06098140e+04 -7.81621297e+04 -3.04817796e+04 4 -5.07354772e+01 -1.27074943e+02 5.77276798e+01 5 -3.60070567e+02 -1.22534162e+03 3.74129366e+02 6 2.03135064e+00 1.70514966e+00 -4.05242626e+00 7 -9.89281626e+02 -2.51888005e+04 -7.95670628e+01 8 1.23786440e+03 2.53541540e+04 1.53855467e+02 9 -1.32105289e+02 -2.09526657e+00 -7.15215621e+02 10 -3.61267371e+03 3.54507713e+03 -8.64343153e+03 11 8.43424759e+02 -1.01650224e+03 -1.82260179e+03 12 -6.37061683e+02 2.58841458e+02 -8.22643116e+00 13 -1.21689784e+03 -1.26630112e+03 -9.37285769e+02 14 1.37182665e+03 1.66329808e+03 -4.57521793e+03 15 -1.45317730e+01 -5.68454517e+02 3.17252403e+03 16 4.24047298e+03 -2.91398345e+03 8.67018415e+03 17 -1.14857508e+02 -2.06115533e+01 1.36754682e+02 18 5.07300348e+04 7.81892725e+04 3.03382700e+04 19 9.20777048e+00 -4.51209372e+01 -2.16486332e+01 20 -2.02927449e+01 3.15279501e+01 6.28280878e+00 21 -2.56266604e+01 -1.38441365e+00 4.89872051e+00 22 3.23253844e+02 -8.85011043e-01 1.74234912e+02 23 6.57132327e+00 -8.99555682e-01 8.66089378e+00 24 1.50862806e+01 1.65781062e+01 2.07603346e+00 25 -7.29337409e+02 2.19801106e+02 2.35054775e+03 26 1.26706834e+03 3.22135821e+03 -3.79675857e+03 27 6.15953714e+03 -9.10022077e+03 -2.49682778e+03 28 -8.94647585e+03 6.59675012e+03 4.68429823e+03 29 -3.82946629e+03 -5.23476300e+03 1.16282547e+03 30 3.68280934e+03 5.50023070e+03 1.13221615e+03 31 7.58107058e+00 -1.09549466e+00 -6.91929485e+00 32 1.56672792e+03 -6.83212797e+02 1.70656258e+03 ================================================================================ VALGRIND OUTPUT ================================================================================ ==7384== Memcheck, a memory error detector ==7384== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==7384== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==7384== Command: python runner2.py TIDP_RajanWarnerCurtin_2016C_User01__MO_072437275969_000 ==7384== ==7384== Conditional jump or move depends on uninitialised value(s) ==7384== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==7384== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==7384== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7384== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7384== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7384== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7384== by 0x551B80: ??? (in /usr/bin/python3.6) ==7384== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7384== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7384== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7384== by 0x509D47: ??? (in /usr/bin/python3.6) ==7384== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7384== ==7384== Conditional jump or move depends on uninitialised value(s) ==7384== at 0x4E63408: internal_utf8_loop (loop.c:298) ==7384== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==7384== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==7384== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7384== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7384== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7384== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7384== by 0x551B80: ??? (in /usr/bin/python3.6) ==7384== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7384== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7384== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7384== by 0x509D47: ??? (in /usr/bin/python3.6) ==7384== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7384== ==7384== Conditional jump or move depends on uninitialised value(s) ==7384== at 0x4E63411: internal_utf8_loop (loop.c:303) ==7384== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==7384== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==7384== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7384== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7384== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7384== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7384== by 0x551B80: ??? (in /usr/bin/python3.6) ==7384== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7384== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7384== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7384== by 0x509D47: ??? (in /usr/bin/python3.6) ==7384== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7384== ==7384== Conditional jump or move depends on uninitialised value(s) ==7384== at 0x4E63458: internal_utf8_loop (loop.c:298) ==7384== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==7384== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==7384== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7384== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7384== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7384== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7384== by 0x551B80: ??? (in /usr/bin/python3.6) ==7384== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7384== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7384== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7384== by 0x509D47: ??? (in /usr/bin/python3.6) ==7384== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7384== ==7384== Conditional jump or move depends on uninitialised value(s) ==7384== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==7384== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==7384== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7384== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7384== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==7384== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==7384== by 0x4F8388: ??? (in /usr/bin/python3.6) ==7384== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==7384== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==7384== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==7384== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==7384== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7384== ==7384== ==7384== HEAP SUMMARY: ==7384== in use at exit: 2,764,995 bytes in 1,647 blocks ==7384== total heap usage: 36,296 allocs, 34,649 frees, 61,157,203 bytes allocated ==7384== ==7384== LEAK SUMMARY: ==7384== definitely lost: 0 bytes in 0 blocks ==7384== indirectly lost: 0 bytes in 0 blocks ==7384== possibly lost: 146,155 bytes in 87 blocks ==7384== still reachable: 2,618,840 bytes in 1,560 blocks ==7384== suppressed: 0 bytes in 0 blocks ==7384== Rerun with --leak-check=full to see details of leaked memory ==7384== ==7384== For counts of detected and suppressed errors, rerun with: -v ==7384== Use --track-origins=yes to see where uninitialised values come from ==7384== 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.