Enter a model name: === Verification check vc-memory-leak start (2021-02-02 11:47:18) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_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 = 11530.500543193632 Forces: 1 7.39157995e+00 2.68489006e+00 7.61725009e+00 2 -1.81954471e+02 9.54506434e+02 -5.52657285e+02 3 -5.03365356e+04 -7.77405966e+04 -3.03176569e+04 4 -5.08656220e+01 -1.26929490e+02 5.71394923e+01 5 -3.58180286e+02 -1.22181815e+03 3.72420925e+02 6 1.60668370e+00 1.64703281e+00 -4.01538435e+00 7 -9.84113116e+02 -2.50701414e+04 -7.93409069e+01 8 1.23202959e+03 2.52341013e+04 1.53090635e+02 9 -1.31730581e+02 -2.32446512e+00 -7.13116407e+02 10 -3.59759753e+03 3.53063340e+03 -8.60716245e+03 11 8.40673711e+02 -1.01352130e+03 -1.81518186e+03 12 -6.35495094e+02 2.58090449e+02 -8.06983763e+00 13 -1.21205723e+03 -1.26216234e+03 -9.34208091e+02 14 1.36705331e+03 1.65743867e+03 -4.55805096e+03 15 -1.35756461e+01 -5.65521895e+02 3.15955381e+03 16 4.22280203e+03 -2.90106378e+03 8.63339131e+03 17 -1.14728901e+02 -2.09228047e+01 1.36117522e+02 18 5.04559927e+04 7.77682203e+04 3.01747653e+04 19 9.60816988e+00 -4.50371666e+01 -2.12794296e+01 20 -2.05072496e+01 3.16427806e+01 6.57496806e+00 21 -2.56341046e+01 -1.60959080e+00 4.67770110e+00 22 3.22493266e+02 -8.89270495e-01 1.73931335e+02 23 6.53059260e+00 -8.76991876e-01 8.64791011e+00 24 1.50008921e+01 1.65624736e+01 2.39060739e+00 25 -7.26399140e+02 2.18963262e+02 2.34169977e+03 26 1.26159078e+03 3.20961310e+03 -3.78258328e+03 27 6.13145415e+03 -9.06201408e+03 -2.48495888e+03 28 -8.90849612e+03 6.56828374e+03 4.66458891e+03 29 -3.81431528e+03 -5.21419040e+03 1.15844069e+03 30 3.66841653e+03 5.47882312e+03 1.12908809e+03 31 7.79429683e+00 -9.12306570e-01 -6.71378879e+00 32 1.56174765e+03 -6.80678906e+02 1.70085918e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = user01 (Configuration in file "config-T-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11530.500543193632 Forces: 1 7.39157995e+00 2.68489006e+00 7.61725009e+00 2 -1.81954471e+02 9.54506434e+02 -5.52657285e+02 3 -5.03365356e+04 -7.77405966e+04 -3.03176569e+04 4 -5.08656220e+01 -1.26929490e+02 5.71394923e+01 5 -3.58180286e+02 -1.22181815e+03 3.72420925e+02 6 1.60668370e+00 1.64703281e+00 -4.01538435e+00 7 -9.84113116e+02 -2.50701414e+04 -7.93409069e+01 8 1.23202959e+03 2.52341013e+04 1.53090635e+02 9 -1.31730581e+02 -2.32446512e+00 -7.13116407e+02 10 -3.59759753e+03 3.53063340e+03 -8.60716245e+03 11 8.40673711e+02 -1.01352130e+03 -1.81518186e+03 12 -6.35495094e+02 2.58090449e+02 -8.06983763e+00 13 -1.21205723e+03 -1.26216234e+03 -9.34208091e+02 14 1.36705331e+03 1.65743867e+03 -4.55805096e+03 15 -1.35756461e+01 -5.65521895e+02 3.15955381e+03 16 4.22280203e+03 -2.90106378e+03 8.63339131e+03 17 -1.14728901e+02 -2.09228047e+01 1.36117522e+02 18 5.04559927e+04 7.77682203e+04 3.01747653e+04 19 9.60816988e+00 -4.50371666e+01 -2.12794296e+01 20 -2.05072496e+01 3.16427806e+01 6.57496806e+00 21 -2.56341046e+01 -1.60959080e+00 4.67770110e+00 22 3.22493266e+02 -8.89270495e-01 1.73931335e+02 23 6.53059260e+00 -8.76991876e-01 8.64791011e+00 24 1.50008921e+01 1.65624736e+01 2.39060739e+00 25 -7.26399140e+02 2.18963262e+02 2.34169977e+03 26 1.26159078e+03 3.20961310e+03 -3.78258328e+03 27 6.13145415e+03 -9.06201408e+03 -2.48495888e+03 28 -8.90849612e+03 6.56828374e+03 4.66458891e+03 29 -3.81431528e+03 -5.21419040e+03 1.15844069e+03 30 3.66841653e+03 5.47882312e+03 1.12908809e+03 31 7.79429683e+00 -9.12306570e-01 -6.71378879e+00 32 1.56174765e+03 -6.80678906e+02 1.70085918e+03 ================================================================================ VALGRIND OUTPUT ================================================================================ ==16678== Memcheck, a memory error detector ==16678== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==16678== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==16678== Command: python runner2.py TIDP_RajanWarnerCurtin_2016B_User01__MO_217710069583_001 ==16678== ==16678== Conditional jump or move depends on uninitialised value(s) ==16678== at 0x4FCDC2C: __wcsnlen_avx2 (strlen-avx2.S:106) ==16678== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==16678== by 0x4E81C40: wcstombs (wcstombs.c:34) ==16678== by 0x5471CF: ??? (in /usr/bin/python3.6) ==16678== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==16678== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==16678== by 0x5515C0: ??? (in /usr/bin/python3.6) ==16678== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==16678== by 0x50A432: ??? (in /usr/bin/python3.6) ==16678== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==16678== by 0x5095C7: ??? (in /usr/bin/python3.6) ==16678== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==16678== ==16678== Conditional jump or move depends on uninitialised value(s) ==16678== at 0x4E654E8: internal_utf8_loop (loop.c:298) ==16678== by 0x4E654E8: __gconv_transform_internal_utf8 (skeleton.c:609) ==16678== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==16678== by 0x4E81C40: wcstombs (wcstombs.c:34) ==16678== by 0x5471CF: ??? (in /usr/bin/python3.6) ==16678== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==16678== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==16678== by 0x5515C0: ??? (in /usr/bin/python3.6) ==16678== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==16678== by 0x50A432: ??? (in /usr/bin/python3.6) ==16678== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==16678== by 0x5095C7: ??? (in /usr/bin/python3.6) ==16678== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==16678== ==16678== Conditional jump or move depends on uninitialised value(s) ==16678== at 0x4E654F1: internal_utf8_loop (loop.c:303) ==16678== by 0x4E654F1: __gconv_transform_internal_utf8 (skeleton.c:609) ==16678== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==16678== by 0x4E81C40: wcstombs (wcstombs.c:34) ==16678== by 0x5471CF: ??? (in /usr/bin/python3.6) ==16678== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==16678== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==16678== by 0x5515C0: ??? (in /usr/bin/python3.6) ==16678== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==16678== by 0x50A432: ??? (in /usr/bin/python3.6) ==16678== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==16678== by 0x5095C7: ??? (in /usr/bin/python3.6) ==16678== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==16678== ==16678== Conditional jump or move depends on uninitialised value(s) ==16678== at 0x4E65538: internal_utf8_loop (loop.c:298) ==16678== by 0x4E65538: __gconv_transform_internal_utf8 (skeleton.c:609) ==16678== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==16678== by 0x4E81C40: wcstombs (wcstombs.c:34) ==16678== by 0x5471CF: ??? (in /usr/bin/python3.6) ==16678== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==16678== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==16678== by 0x5515C0: ??? (in /usr/bin/python3.6) ==16678== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==16678== by 0x50A432: ??? (in /usr/bin/python3.6) ==16678== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==16678== by 0x5095C7: ??? (in /usr/bin/python3.6) ==16678== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==16678== ==16678== Conditional jump or move depends on uninitialised value(s) ==16678== at 0x4FCDDB7: __wcsnlen_avx2 (strlen-avx2.S:264) ==16678== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==16678== by 0x4E81C40: wcstombs (wcstombs.c:34) ==16678== by 0x5471CF: ??? (in /usr/bin/python3.6) ==16678== by 0x5474B0: PyUnicode_FSConverter (in /usr/bin/python3.6) ==16678== by 0x4C4D46: ??? (in /usr/bin/python3.6) ==16678== by 0x4F7E48: ??? (in /usr/bin/python3.6) ==16678== by 0x4FB843: ??? (in /usr/bin/python3.6) ==16678== by 0x4FC3D4: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==16678== by 0x4C6448: ??? (in /usr/bin/python3.6) ==16678== by 0x50A259: ??? (in /usr/bin/python3.6) ==16678== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==16678== ==16678== ==16678== HEAP SUMMARY: ==16678== in use at exit: 2,776,527 bytes in 1,537 blocks ==16678== total heap usage: 50,189 allocs, 48,652 frees, 62,866,319 bytes allocated ==16678== ==16678== LEAK SUMMARY: ==16678== definitely lost: 0 bytes in 0 blocks ==16678== indirectly lost: 0 bytes in 0 blocks ==16678== possibly lost: 145,616 bytes in 85 blocks ==16678== still reachable: 2,630,911 bytes in 1,452 blocks ==16678== suppressed: 0 bytes in 0 blocks ==16678== Rerun with --leak-check=full to see details of leaked memory ==16678== ==16678== For counts of detected and suppressed errors, rerun with: -v ==16678== Use --track-origins=yes to see where uninitialised values come from ==16678== 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. === Verification check vc-memory-leak end (2021-02-02 11:47:46) ===