!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_2013Ta1_Ta__MO_816821594689_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 = -6.56204136997127 Forces: 1 -5.85082824e+00 -1.52696906e+01 -1.22820671e+01 2 -4.93650598e+00 7.43729109e+00 -1.28960444e+01 3 3.05546221e+00 -1.51517477e+01 -3.39965933e+00 4 -1.18895320e+01 8.26410357e+00 7.07256915e+00 5 2.24508561e+00 -1.74623260e+01 -7.49384108e+00 6 1.03476516e+01 2.80481026e+00 -1.16807713e+01 7 1.03821769e+01 -2.45535032e+01 -1.53083735e+01 8 -9.76098155e+00 -1.03339363e+01 1.80401343e+00 9 -1.01542364e+01 -1.06007794e+01 -1.72373319e+01 10 9.42257013e+00 1.74851611e+01 -1.49194718e+01 11 2.83614919e+00 -1.15996709e+01 -1.27037000e+01 12 -1.77814556e+01 1.81606828e+01 4.07622720e+00 13 -8.93449556e+00 -4.93403460e+00 -3.78210281e+01 14 9.69152117e+00 1.13005454e+01 -8.63325130e+00 15 3.53389893e+01 -4.38069452e+00 5.18359700e+00 16 1.11485805e+00 3.27752173e+01 1.59991509e+00 17 -1.89063064e+01 -1.16831416e+01 -4.70646453e+00 18 5.62308564e+00 7.88988438e+00 1.88985218e+00 19 7.07874770e+00 -1.42843350e+01 1.14594390e+01 20 -9.43915374e+00 8.38414932e+00 1.07302473e+01 21 -1.05912351e+01 -1.35734066e+01 6.74394114e+00 22 1.99807405e+01 1.66544123e+01 1.32102344e+01 23 5.70181734e+00 -3.39057059e+00 1.02259219e+01 24 1.73141957e+00 -1.87871092e-02 8.96051784e+00 25 -2.80877456e+01 -5.23024584e+00 1.63346582e+01 26 -5.80407121e+00 2.60095489e+01 -3.95323698e+00 27 3.02994387e+00 -2.30852083e+01 1.45765642e+01 28 -2.20160739e+01 1.68051195e+01 5.51187056e+00 29 -4.00853419e-01 -1.19960514e+01 9.94691511e+00 30 1.22368697e+01 1.63519955e+01 1.35695042e+00 31 1.69401840e+01 -8.96083928e+00 1.46238141e+01 32 7.79620226e+00 1.61860475e+01 1.77279931e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ta (Configuration in file "config-T-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = -6.56204136997127 Forces: 1 -5.85082824e+00 -1.52696906e+01 -1.22820671e+01 2 -4.93650598e+00 7.43729109e+00 -1.28960444e+01 3 3.05546221e+00 -1.51517477e+01 -3.39965933e+00 4 -1.18895320e+01 8.26410357e+00 7.07256915e+00 5 2.24508561e+00 -1.74623260e+01 -7.49384108e+00 6 1.03476516e+01 2.80481026e+00 -1.16807713e+01 7 1.03821769e+01 -2.45535032e+01 -1.53083735e+01 8 -9.76098155e+00 -1.03339363e+01 1.80401343e+00 9 -1.01542364e+01 -1.06007794e+01 -1.72373319e+01 10 9.42257013e+00 1.74851611e+01 -1.49194718e+01 11 2.83614919e+00 -1.15996709e+01 -1.27037000e+01 12 -1.77814556e+01 1.81606828e+01 4.07622720e+00 13 -8.93449556e+00 -4.93403460e+00 -3.78210281e+01 14 9.69152117e+00 1.13005454e+01 -8.63325130e+00 15 3.53389893e+01 -4.38069452e+00 5.18359700e+00 16 1.11485805e+00 3.27752173e+01 1.59991509e+00 17 -1.89063064e+01 -1.16831416e+01 -4.70646453e+00 18 5.62308564e+00 7.88988438e+00 1.88985218e+00 19 7.07874770e+00 -1.42843350e+01 1.14594390e+01 20 -9.43915374e+00 8.38414932e+00 1.07302473e+01 21 -1.05912351e+01 -1.35734066e+01 6.74394114e+00 22 1.99807405e+01 1.66544123e+01 1.32102344e+01 23 5.70181734e+00 -3.39057059e+00 1.02259219e+01 24 1.73141957e+00 -1.87871092e-02 8.96051784e+00 25 -2.80877456e+01 -5.23024584e+00 1.63346582e+01 26 -5.80407121e+00 2.60095489e+01 -3.95323698e+00 27 3.02994387e+00 -2.30852083e+01 1.45765642e+01 28 -2.20160739e+01 1.68051195e+01 5.51187056e+00 29 -4.00853419e-01 -1.19960514e+01 9.94691511e+00 30 1.22368697e+01 1.63519955e+01 1.35695042e+00 31 1.69401840e+01 -8.96083928e+00 1.46238141e+01 32 7.79620226e+00 1.61860475e+01 1.77279931e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==90553== Memcheck, a memory error detector ==90553== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==90553== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==90553== Command: python runner2.py EAM_Dynamo_RaveloGermannGuerrero_2013Ta1_Ta__MO_816821594689_000 ==90553== ==90553== Conditional jump or move depends on uninitialised value(s) ==90553== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==90553== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==90553== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90553== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90553== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==90553== by 0x5BA640: ??? (in /usr/bin/python3.6) ==90553== by 0x551B80: ??? (in /usr/bin/python3.6) ==90553== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==90553== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==90553== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90553== by 0x509D47: ??? (in /usr/bin/python3.6) ==90553== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==90553== ==90553== Conditional jump or move depends on uninitialised value(s) ==90553== at 0x4E63408: internal_utf8_loop (loop.c:298) ==90553== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==90553== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==90553== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90553== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90553== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==90553== by 0x5BA640: ??? (in /usr/bin/python3.6) ==90553== by 0x551B80: ??? (in /usr/bin/python3.6) ==90553== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==90553== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==90553== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90553== by 0x509D47: ??? (in /usr/bin/python3.6) ==90553== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==90553== ==90553== Conditional jump or move depends on uninitialised value(s) ==90553== at 0x4E63411: internal_utf8_loop (loop.c:303) ==90553== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==90553== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==90553== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90553== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90553== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==90553== by 0x5BA640: ??? (in /usr/bin/python3.6) ==90553== by 0x551B80: ??? (in /usr/bin/python3.6) ==90553== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==90553== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==90553== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90553== by 0x509D47: ??? (in /usr/bin/python3.6) ==90553== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==90553== ==90553== Conditional jump or move depends on uninitialised value(s) ==90553== at 0x4E63458: internal_utf8_loop (loop.c:298) ==90553== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==90553== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==90553== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90553== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90553== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==90553== by 0x5BA640: ??? (in /usr/bin/python3.6) ==90553== by 0x551B80: ??? (in /usr/bin/python3.6) ==90553== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==90553== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==90553== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90553== by 0x509D47: ??? (in /usr/bin/python3.6) ==90553== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==90553== ==90553== Conditional jump or move depends on uninitialised value(s) ==90553== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==90553== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==90553== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90553== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90553== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==90553== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==90553== by 0x4F8388: ??? (in /usr/bin/python3.6) ==90553== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==90553== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==90553== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==90553== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==90553== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90553== ==90553== ==90553== HEAP SUMMARY: ==90553== in use at exit: 2,764,995 bytes in 1,647 blocks ==90553== total heap usage: 36,172 allocs, 34,525 frees, 67,670,017 bytes allocated ==90553== ==90553== LEAK SUMMARY: ==90553== definitely lost: 0 bytes in 0 blocks ==90553== indirectly lost: 0 bytes in 0 blocks ==90553== possibly lost: 146,155 bytes in 87 blocks ==90553== still reachable: 2,618,840 bytes in 1,560 blocks ==90553== suppressed: 0 bytes in 0 blocks ==90553== Rerun with --leak-check=full to see details of leaked memory ==90553== ==90553== For counts of detected and suppressed errors, rerun with: -v ==90553== Use --track-origins=yes to see where uninitialised values come from ==90553== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12372 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.