!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EAM_Dynamo_RaveloGermannGuerrero_2013Ta2_Ta__MO_330376344314_000 Supported species : Ta random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ta (Configuration in file "config-F-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = 68.43070105752918 Forces: 1 -8.66012834e+00 -1.45302922e+01 -1.57868196e+01 2 -9.95535978e+00 6.30941563e+00 -1.88540764e+01 3 4.43899017e+00 -2.23966584e+01 -6.95844802e+00 4 -1.38956907e+01 9.77546787e+00 8.10693959e+00 5 1.35959114e+00 -2.64801271e+01 -1.16455292e+01 6 1.49747068e+01 4.03030295e+00 -1.77325154e+01 7 1.79616324e+01 -3.45555047e+01 -2.09786908e+01 8 -9.20024782e+00 -1.37323216e+01 5.91771225e+00 9 -1.77804286e+01 -1.26145816e+01 -2.77105079e+01 10 -6.48130320e+00 3.68012271e+01 -2.99573942e+01 11 -1.87640725e+01 -2.00207010e+01 1.46607375e+01 12 -1.95775118e+01 2.17305898e+01 8.86706146e+00 13 1.40621598e+00 -1.26456349e+01 -5.86778493e+01 14 1.29128097e+01 2.10587195e+01 -1.69955190e+01 15 4.81884747e+01 -1.45244481e+01 9.02789888e+00 16 7.33058090e+00 4.83265380e+01 1.60989683e+01 17 -2.21367974e+01 -1.07055183e+01 -6.82526972e+00 18 -7.07766618e+00 1.34032446e+01 6.82737199e+00 19 6.45878390e+00 -2.17462788e+01 1.37246671e+01 20 -9.80433415e+00 1.38061320e+01 1.19799048e+01 21 -1.28139212e+01 -2.53644546e+01 8.63342923e+00 22 2.73739113e+01 2.75887607e+01 1.64262809e+01 23 9.63761751e+00 -5.05257469e+00 1.52166089e+01 24 4.19006411e+00 9.35229794e+00 1.62162469e+01 25 -2.38817513e+01 -1.54818782e+01 -2.01340684e+00 26 -7.69523928e+00 3.56622196e+01 -1.35113538e+01 27 8.13824775e+00 -3.74478497e+01 2.54394837e+01 28 -3.07873066e+01 2.71374998e+01 1.31328858e+01 29 -1.46683519e+00 -1.92336473e+01 6.67224073e+00 30 1.72749910e+01 1.94142667e+01 6.56894335e+00 31 2.54796004e+01 -1.19994691e+01 1.80450238e+01 32 1.28523764e+01 2.41352582e+01 2.60849749e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ta (Configuration in file "config-T-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = 68.43070105752918 Forces: 1 -8.66012834e+00 -1.45302922e+01 -1.57868196e+01 2 -9.95535978e+00 6.30941563e+00 -1.88540764e+01 3 4.43899017e+00 -2.23966584e+01 -6.95844802e+00 4 -1.38956907e+01 9.77546787e+00 8.10693959e+00 5 1.35959114e+00 -2.64801271e+01 -1.16455292e+01 6 1.49747068e+01 4.03030295e+00 -1.77325154e+01 7 1.79616324e+01 -3.45555047e+01 -2.09786908e+01 8 -9.20024782e+00 -1.37323216e+01 5.91771225e+00 9 -1.77804286e+01 -1.26145816e+01 -2.77105079e+01 10 -6.48130320e+00 3.68012271e+01 -2.99573942e+01 11 -1.87640725e+01 -2.00207010e+01 1.46607375e+01 12 -1.95775118e+01 2.17305898e+01 8.86706146e+00 13 1.40621598e+00 -1.26456349e+01 -5.86778493e+01 14 1.29128097e+01 2.10587195e+01 -1.69955190e+01 15 4.81884747e+01 -1.45244481e+01 9.02789888e+00 16 7.33058090e+00 4.83265380e+01 1.60989683e+01 17 -2.21367974e+01 -1.07055183e+01 -6.82526972e+00 18 -7.07766618e+00 1.34032446e+01 6.82737199e+00 19 6.45878390e+00 -2.17462788e+01 1.37246671e+01 20 -9.80433415e+00 1.38061320e+01 1.19799048e+01 21 -1.28139212e+01 -2.53644546e+01 8.63342923e+00 22 2.73739113e+01 2.75887607e+01 1.64262809e+01 23 9.63761751e+00 -5.05257469e+00 1.52166089e+01 24 4.19006411e+00 9.35229794e+00 1.62162469e+01 25 -2.38817513e+01 -1.54818782e+01 -2.01340684e+00 26 -7.69523928e+00 3.56622196e+01 -1.35113538e+01 27 8.13824775e+00 -3.74478497e+01 2.54394837e+01 28 -3.07873066e+01 2.71374998e+01 1.31328858e+01 29 -1.46683519e+00 -1.92336473e+01 6.67224073e+00 30 1.72749910e+01 1.94142667e+01 6.56894335e+00 31 2.54796004e+01 -1.19994691e+01 1.80450238e+01 32 1.28523764e+01 2.41352582e+01 2.60849749e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==90636== Memcheck, a memory error detector ==90636== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==90636== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==90636== Command: python runner2.py EAM_Dynamo_RaveloGermannGuerrero_2013Ta2_Ta__MO_330376344314_000 ==90636== ==90636== Conditional jump or move depends on uninitialised value(s) ==90636== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==90636== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==90636== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90636== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90636== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==90636== by 0x5BA640: ??? (in /usr/bin/python3.6) ==90636== by 0x551B80: ??? (in /usr/bin/python3.6) ==90636== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==90636== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==90636== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90636== by 0x509D47: ??? (in /usr/bin/python3.6) ==90636== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==90636== ==90636== Conditional jump or move depends on uninitialised value(s) ==90636== at 0x4E63408: internal_utf8_loop (loop.c:298) ==90636== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==90636== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==90636== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90636== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90636== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==90636== by 0x5BA640: ??? (in /usr/bin/python3.6) ==90636== by 0x551B80: ??? (in /usr/bin/python3.6) ==90636== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==90636== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==90636== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90636== by 0x509D47: ??? (in /usr/bin/python3.6) ==90636== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==90636== ==90636== Conditional jump or move depends on uninitialised value(s) ==90636== at 0x4E63411: internal_utf8_loop (loop.c:303) ==90636== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==90636== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==90636== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90636== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90636== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==90636== by 0x5BA640: ??? (in /usr/bin/python3.6) ==90636== by 0x551B80: ??? (in /usr/bin/python3.6) ==90636== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==90636== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==90636== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90636== by 0x509D47: ??? (in /usr/bin/python3.6) ==90636== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==90636== ==90636== Conditional jump or move depends on uninitialised value(s) ==90636== at 0x4E63458: internal_utf8_loop (loop.c:298) ==90636== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==90636== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==90636== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90636== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90636== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==90636== by 0x5BA640: ??? (in /usr/bin/python3.6) ==90636== by 0x551B80: ??? (in /usr/bin/python3.6) ==90636== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==90636== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==90636== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90636== by 0x509D47: ??? (in /usr/bin/python3.6) ==90636== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==90636== ==90636== Conditional jump or move depends on uninitialised value(s) ==90636== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==90636== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==90636== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90636== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90636== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==90636== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==90636== by 0x4F8388: ??? (in /usr/bin/python3.6) ==90636== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==90636== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==90636== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==90636== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==90636== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90636== ==90636== ==90636== HEAP SUMMARY: ==90636== in use at exit: 2,764,995 bytes in 1,647 blocks ==90636== total heap usage: 36,172 allocs, 34,525 frees, 67,670,233 bytes allocated ==90636== ==90636== LEAK SUMMARY: ==90636== definitely lost: 0 bytes in 0 blocks ==90636== indirectly lost: 0 bytes in 0 blocks ==90636== possibly lost: 146,155 bytes in 87 blocks ==90636== still reachable: 2,618,840 bytes in 1,560 blocks ==90636== suppressed: 0 bytes in 0 blocks ==90636== Rerun with --leak-check=full to see details of leaked memory ==90636== ==90636== For counts of detected and suppressed errors, rerun with: -v ==90636== Use --track-origins=yes to see where uninitialised values come from ==90636== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12375 from 659) ================================================================================ 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.