!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouJohnsonWadley_2004_Ti__MO_723456820410_005 Supported species : Ti random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ti (Configuration in file "config-F-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 128.30696097052845 Forces: 1 -1.70504787e+01 -1.40303638e+01 -1.55586031e+01 2 -5.09750238e+00 9.56811644e+00 -2.56500088e+01 3 1.63583887e+01 -3.11327131e+01 7.26223423e+00 4 -3.37838094e+01 1.07224909e+01 -7.91453968e+00 5 5.42395306e+00 -2.17725635e+01 -1.68098046e+01 6 1.78928045e+01 7.05679989e+00 -2.65243141e+01 7 1.86702623e+01 -3.24818383e+01 2.48700083e+00 8 -1.33706004e+01 -6.78408094e+00 5.39669695e+00 9 -1.54456317e+01 -5.45823566e+00 -2.17883709e+01 10 -1.10734663e+01 2.02103390e+01 -2.71757328e+01 11 -1.05272761e+01 2.94271604e+00 -6.00333374e+00 12 -1.83487897e+01 2.11304197e+01 4.68635897e+00 13 9.60319680e+00 -3.96345456e-02 -2.61799622e+01 14 1.52807288e+01 1.10674725e+01 -1.31339221e+01 15 2.78139553e+01 1.15881141e+01 -3.46814367e+00 16 1.02329979e+01 2.65443604e+01 1.20567690e+01 17 -1.71978282e+01 -2.70273433e+01 4.53668940e+00 18 1.28119149e+01 -1.01057888e+01 1.30741729e+01 19 -5.33082459e+00 -1.58689986e+01 1.88109399e+01 20 -1.65633967e+01 3.94311125e+00 2.35622425e+01 21 -8.34011754e+00 -2.55524049e+01 -2.30101355e+01 22 2.76506601e+01 5.86500966e+00 -4.57734913e+00 23 2.50795230e+01 -2.57440926e+01 2.76244028e+01 24 -1.79117976e+01 1.29500500e+01 2.60489252e+01 25 -2.97458906e+01 4.36068716e+00 -2.08462768e+00 26 7.62091057e+00 2.81326621e+01 -7.10048156e+00 27 6.31350782e+00 -1.11803434e+01 3.02216109e+01 28 -1.66270687e+01 1.41771143e+01 1.64995617e+01 29 9.99606857e-01 -2.87567160e+00 3.69124378e+00 30 2.09823766e+01 1.95232739e+01 -9.58573717e+00 31 1.98199396e+01 4.91759508e+00 2.02136575e+01 32 -6.14024831e+00 1.53537407e+01 2.03925599e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ti (Configuration in file "config-T-Ti.xyz") ----------------------------------------------------------------------------------------------------- Energy = 128.30696097052845 Forces: 1 -1.70504787e+01 -1.40303638e+01 -1.55586031e+01 2 -5.09750238e+00 9.56811644e+00 -2.56500088e+01 3 1.63583887e+01 -3.11327131e+01 7.26223423e+00 4 -3.37838094e+01 1.07224909e+01 -7.91453968e+00 5 5.42395306e+00 -2.17725635e+01 -1.68098046e+01 6 1.78928045e+01 7.05679989e+00 -2.65243141e+01 7 1.86702623e+01 -3.24818383e+01 2.48700083e+00 8 -1.33706004e+01 -6.78408094e+00 5.39669695e+00 9 -1.54456317e+01 -5.45823566e+00 -2.17883709e+01 10 -1.10734663e+01 2.02103390e+01 -2.71757328e+01 11 -1.05272761e+01 2.94271604e+00 -6.00333374e+00 12 -1.83487897e+01 2.11304197e+01 4.68635897e+00 13 9.60319680e+00 -3.96345456e-02 -2.61799622e+01 14 1.52807288e+01 1.10674725e+01 -1.31339221e+01 15 2.78139553e+01 1.15881141e+01 -3.46814367e+00 16 1.02329979e+01 2.65443604e+01 1.20567690e+01 17 -1.71978282e+01 -2.70273433e+01 4.53668940e+00 18 1.28119149e+01 -1.01057888e+01 1.30741729e+01 19 -5.33082459e+00 -1.58689986e+01 1.88109399e+01 20 -1.65633967e+01 3.94311125e+00 2.35622425e+01 21 -8.34011754e+00 -2.55524049e+01 -2.30101355e+01 22 2.76506601e+01 5.86500966e+00 -4.57734913e+00 23 2.50795230e+01 -2.57440926e+01 2.76244028e+01 24 -1.79117976e+01 1.29500500e+01 2.60489252e+01 25 -2.97458906e+01 4.36068716e+00 -2.08462768e+00 26 7.62091057e+00 2.81326621e+01 -7.10048156e+00 27 6.31350782e+00 -1.11803434e+01 3.02216109e+01 28 -1.66270687e+01 1.41771143e+01 1.64995617e+01 29 9.99606857e-01 -2.87567160e+00 3.69124378e+00 30 2.09823766e+01 1.95232739e+01 -9.58573717e+00 31 1.98199396e+01 4.91759508e+00 2.02136575e+01 32 -6.14024831e+00 1.53537407e+01 2.03925599e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==92490== Memcheck, a memory error detector ==92490== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==92490== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==92490== Command: python runner2.py EAM_Dynamo_ZhouJohnsonWadley_2004_Ti__MO_723456820410_005 ==92490== ==92490== Conditional jump or move depends on uninitialised value(s) ==92490== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==92490== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==92490== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==92490== by 0x547A3F: ??? (in /usr/bin/python3.6) ==92490== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==92490== by 0x5BA640: ??? (in /usr/bin/python3.6) ==92490== by 0x551B80: ??? (in /usr/bin/python3.6) ==92490== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==92490== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==92490== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==92490== by 0x509D47: ??? (in /usr/bin/python3.6) ==92490== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==92490== ==92490== Conditional jump or move depends on uninitialised value(s) ==92490== at 0x4E63408: internal_utf8_loop (loop.c:298) ==92490== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==92490== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==92490== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==92490== by 0x547A3F: ??? (in /usr/bin/python3.6) ==92490== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==92490== by 0x5BA640: ??? (in /usr/bin/python3.6) ==92490== by 0x551B80: ??? (in /usr/bin/python3.6) ==92490== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==92490== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==92490== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==92490== by 0x509D47: ??? (in /usr/bin/python3.6) ==92490== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==92490== ==92490== Conditional jump or move depends on uninitialised value(s) ==92490== at 0x4E63411: internal_utf8_loop (loop.c:303) ==92490== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==92490== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==92490== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==92490== by 0x547A3F: ??? (in /usr/bin/python3.6) ==92490== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==92490== by 0x5BA640: ??? (in /usr/bin/python3.6) ==92490== by 0x551B80: ??? (in /usr/bin/python3.6) ==92490== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==92490== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==92490== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==92490== by 0x509D47: ??? (in /usr/bin/python3.6) ==92490== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==92490== ==92490== Conditional jump or move depends on uninitialised value(s) ==92490== at 0x4E63458: internal_utf8_loop (loop.c:298) ==92490== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==92490== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==92490== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==92490== by 0x547A3F: ??? (in /usr/bin/python3.6) ==92490== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==92490== by 0x5BA640: ??? (in /usr/bin/python3.6) ==92490== by 0x551B80: ??? (in /usr/bin/python3.6) ==92490== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==92490== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==92490== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==92490== by 0x509D47: ??? (in /usr/bin/python3.6) ==92490== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==92490== ==92490== Conditional jump or move depends on uninitialised value(s) ==92490== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==92490== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==92490== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==92490== by 0x547A3F: ??? (in /usr/bin/python3.6) ==92490== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==92490== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==92490== by 0x4F8388: ??? (in /usr/bin/python3.6) ==92490== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==92490== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==92490== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==92490== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==92490== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==92490== ==92490== ==92490== HEAP SUMMARY: ==92490== in use at exit: 2,764,995 bytes in 1,647 blocks ==92490== total heap usage: 36,280 allocs, 34,633 frees, 64,255,262 bytes allocated ==92490== ==92490== LEAK SUMMARY: ==92490== definitely lost: 0 bytes in 0 blocks ==92490== indirectly lost: 0 bytes in 0 blocks ==92490== possibly lost: 146,155 bytes in 87 blocks ==92490== still reachable: 2,618,840 bytes in 1,560 blocks ==92490== suppressed: 0 bytes in 0 blocks ==92490== Rerun with --leak-check=full to see details of leaked memory ==92490== ==92490== For counts of detected and suppressed errors, rerun with: -v ==92490== Use --track-origins=yes to see where uninitialised values come from ==92490== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12352 from 650) ================================================================================ 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.