!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_SturgeonLaird_2000_Al__MO_120808805541_005 Supported species : Al random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 89.96779146020744 Forces: 1 -5.49380126e+00 -1.14118655e+01 -1.20297443e+01 2 -7.48033403e+00 9.85651341e+00 -9.64411183e+00 3 5.84419875e+00 -1.25497132e+01 -5.62731745e+00 4 -7.93802359e+00 7.25504620e+00 5.47469957e+00 5 4.05860278e+00 -1.84031605e+01 -5.66121173e+00 6 8.89979074e+00 2.95133880e+00 -1.00176074e+01 7 8.13996078e+00 -3.17652877e+01 -2.83775854e+01 8 -1.45103693e+01 -1.15979331e+01 6.81285688e+00 9 -9.39617141e+00 -9.63783045e+00 -1.80518036e+01 10 -4.77645155e+00 1.89355632e+01 -2.10604197e+01 11 8.38709986e-01 -1.51200976e+01 4.99959619e-01 12 -1.27229077e+01 2.07943764e+01 5.66400699e-01 13 -1.14188313e+01 -1.04502117e+01 -4.61952671e+01 14 9.56003314e+00 1.22133262e+01 -8.36365255e+00 15 3.90654650e+01 -8.49455008e+00 1.25932972e+01 16 5.58047920e+00 3.12741443e+01 1.56360599e+01 17 -1.82351623e+01 -9.60169261e+00 -5.57195924e+00 18 5.65574907e+00 1.36811430e+01 -7.66111853e-01 19 9.28083656e+00 -1.38404987e+01 1.16800793e+01 20 -8.22416699e+00 1.03482736e+01 9.72512070e+00 21 -1.54598583e+01 -9.73813816e+00 8.66176572e+00 22 2.03971635e+01 2.80840572e+01 2.40538564e+01 23 4.98674168e+00 -1.92902036e+00 8.40144537e+00 24 6.66538065e+00 -6.17601963e+00 6.95697395e+00 25 -1.49804400e+01 -9.25256380e+00 1.74732510e+01 26 -6.96523672e+00 2.08550848e+01 -1.10976767e+01 27 9.52955581e+00 -3.26054320e+01 1.04722015e+01 28 -3.22609221e+01 2.68256028e+01 5.22053576e+00 29 -8.05566106e+00 -1.51819550e+01 3.13090413e+00 30 1.04079757e+01 1.68790169e+01 4.13898294e+00 31 1.90034308e+01 -1.01145354e+01 1.34088698e+01 32 1.00042633e+01 1.79170187e+01 1.75572083e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 89.96779146020744 Forces: 1 -5.49380126e+00 -1.14118655e+01 -1.20297443e+01 2 -7.48033403e+00 9.85651341e+00 -9.64411183e+00 3 5.84419875e+00 -1.25497132e+01 -5.62731745e+00 4 -7.93802359e+00 7.25504620e+00 5.47469957e+00 5 4.05860278e+00 -1.84031605e+01 -5.66121173e+00 6 8.89979074e+00 2.95133880e+00 -1.00176074e+01 7 8.13996078e+00 -3.17652877e+01 -2.83775854e+01 8 -1.45103693e+01 -1.15979331e+01 6.81285688e+00 9 -9.39617141e+00 -9.63783045e+00 -1.80518036e+01 10 -4.77645155e+00 1.89355632e+01 -2.10604197e+01 11 8.38709986e-01 -1.51200976e+01 4.99959619e-01 12 -1.27229077e+01 2.07943764e+01 5.66400699e-01 13 -1.14188313e+01 -1.04502117e+01 -4.61952671e+01 14 9.56003314e+00 1.22133262e+01 -8.36365255e+00 15 3.90654650e+01 -8.49455008e+00 1.25932972e+01 16 5.58047920e+00 3.12741443e+01 1.56360599e+01 17 -1.82351623e+01 -9.60169261e+00 -5.57195924e+00 18 5.65574907e+00 1.36811430e+01 -7.66111853e-01 19 9.28083656e+00 -1.38404987e+01 1.16800793e+01 20 -8.22416699e+00 1.03482736e+01 9.72512070e+00 21 -1.54598583e+01 -9.73813816e+00 8.66176572e+00 22 2.03971635e+01 2.80840572e+01 2.40538564e+01 23 4.98674168e+00 -1.92902036e+00 8.40144537e+00 24 6.66538065e+00 -6.17601963e+00 6.95697395e+00 25 -1.49804400e+01 -9.25256380e+00 1.74732510e+01 26 -6.96523672e+00 2.08550848e+01 -1.10976767e+01 27 9.52955581e+00 -3.26054320e+01 1.04722015e+01 28 -3.22609221e+01 2.68256028e+01 5.22053576e+00 29 -8.05566106e+00 -1.51819550e+01 3.13090413e+00 30 1.04079757e+01 1.68790169e+01 4.13898294e+00 31 1.90034308e+01 -1.01145354e+01 1.34088698e+01 32 1.00042633e+01 1.79170187e+01 1.75572083e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==90909== Memcheck, a memory error detector ==90909== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==90909== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==90909== Command: python runner2.py EAM_Dynamo_SturgeonLaird_2000_Al__MO_120808805541_005 ==90909== ==90909== Conditional jump or move depends on uninitialised value(s) ==90909== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==90909== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==90909== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90909== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90909== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==90909== by 0x5BA640: ??? (in /usr/bin/python3.6) ==90909== by 0x551B80: ??? (in /usr/bin/python3.6) ==90909== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==90909== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==90909== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90909== by 0x509D47: ??? (in /usr/bin/python3.6) ==90909== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==90909== ==90909== Conditional jump or move depends on uninitialised value(s) ==90909== at 0x4E63408: internal_utf8_loop (loop.c:298) ==90909== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==90909== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==90909== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90909== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90909== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==90909== by 0x5BA640: ??? (in /usr/bin/python3.6) ==90909== by 0x551B80: ??? (in /usr/bin/python3.6) ==90909== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==90909== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==90909== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90909== by 0x509D47: ??? (in /usr/bin/python3.6) ==90909== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==90909== ==90909== Conditional jump or move depends on uninitialised value(s) ==90909== at 0x4E63411: internal_utf8_loop (loop.c:303) ==90909== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==90909== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==90909== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90909== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90909== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==90909== by 0x5BA640: ??? (in /usr/bin/python3.6) ==90909== by 0x551B80: ??? (in /usr/bin/python3.6) ==90909== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==90909== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==90909== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90909== by 0x509D47: ??? (in /usr/bin/python3.6) ==90909== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==90909== ==90909== Conditional jump or move depends on uninitialised value(s) ==90909== at 0x4E63458: internal_utf8_loop (loop.c:298) ==90909== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==90909== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==90909== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90909== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90909== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==90909== by 0x5BA640: ??? (in /usr/bin/python3.6) ==90909== by 0x551B80: ??? (in /usr/bin/python3.6) ==90909== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==90909== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==90909== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90909== by 0x509D47: ??? (in /usr/bin/python3.6) ==90909== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==90909== ==90909== Conditional jump or move depends on uninitialised value(s) ==90909== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==90909== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==90909== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==90909== by 0x547A3F: ??? (in /usr/bin/python3.6) ==90909== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==90909== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==90909== by 0x4F8388: ??? (in /usr/bin/python3.6) ==90909== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==90909== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==90909== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==90909== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==90909== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==90909== ==90909== ==90909== HEAP SUMMARY: ==90909== in use at exit: 2,764,995 bytes in 1,647 blocks ==90909== total heap usage: 36,172 allocs, 34,525 frees, 73,427,209 bytes allocated ==90909== ==90909== LEAK SUMMARY: ==90909== definitely lost: 0 bytes in 0 blocks ==90909== indirectly lost: 0 bytes in 0 blocks ==90909== possibly lost: 146,155 bytes in 87 blocks ==90909== still reachable: 2,618,840 bytes in 1,560 blocks ==90909== suppressed: 0 bytes in 0 blocks ==90909== Rerun with --leak-check=full to see details of leaked memory ==90909== ==90909== For counts of detected and suppressed errors, rerun with: -v ==90909== Use --track-origins=yes to see where uninitialised values come from ==90909== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12365 from 652) ================================================================================ 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.