!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_JacobsenNorskovPuska_1987_Al__MO_411692133366_000 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 = -56.843277168347484 Forces: 1 -9.39911457e-01 -2.24824855e+00 -2.41204098e+00 2 -1.75852998e+00 3.38818858e+00 -5.37736993e-01 3 2.03400698e+00 -3.34070008e+00 -2.10446172e+00 4 -1.90075955e+00 1.66942597e+00 1.21461398e+00 5 1.36234488e+00 -3.67374684e+00 -2.95307248e-01 6 1.31493707e+00 1.37515258e+00 -1.31538846e+00 7 1.97369141e+00 -8.09243806e+00 -7.99737886e+00 8 -4.58679586e+00 -1.59094048e+00 -3.24707055e-01 9 -2.56635290e+00 -4.24743450e+00 -3.63785863e+00 10 3.01095231e+00 3.89889229e+00 -3.20463192e+00 11 7.08863529e+00 -2.35848235e+00 -5.78878255e+00 12 -3.97230018e+00 4.06250108e+00 2.34231487e+00 13 -4.37430220e+00 -3.33258680e+00 -8.85936042e+00 14 1.62110739e+00 2.21993539e+00 -1.21585274e+00 15 8.23768943e+00 -1.97974261e+00 2.65523267e+00 16 -2.86879476e-01 5.83701813e+00 2.14046328e+00 17 -3.90007886e+00 -1.87288990e+00 -1.23792517e+00 18 1.03809808e+00 3.12963967e+00 1.48360151e+00 19 1.73105123e+00 -2.68777585e+00 2.16504519e+00 20 -1.03091263e+00 2.47980822e+00 1.44034599e+00 21 -3.83662069e+00 -2.94270673e+00 1.78889916e+00 22 4.65912385e+00 7.43676014e+00 6.16272615e+00 23 7.83410785e-01 -2.29367451e-01 1.52822928e+00 24 8.65933040e-01 8.70942231e-01 1.63059718e+00 25 -7.64149875e+00 -1.73536927e+00 5.53753689e+00 26 -1.30661878e+00 5.27424806e+00 -2.97744776e+00 27 3.43443072e+00 -9.45191241e+00 3.02037926e+00 28 -7.06795592e+00 6.36390233e+00 1.47293618e+00 29 -2.14506205e+00 -2.97980462e+00 3.78868364e-01 30 1.67576573e+00 3.43415738e+00 2.78803767e-01 31 4.08335203e+00 -2.91159852e+00 2.83654206e+00 32 2.40004907e+00 4.23517298e+00 3.83174473e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = -56.843277168347484 Forces: 1 -9.39911457e-01 -2.24824855e+00 -2.41204098e+00 2 -1.75852998e+00 3.38818858e+00 -5.37736993e-01 3 2.03400698e+00 -3.34070008e+00 -2.10446172e+00 4 -1.90075955e+00 1.66942597e+00 1.21461398e+00 5 1.36234488e+00 -3.67374684e+00 -2.95307248e-01 6 1.31493707e+00 1.37515258e+00 -1.31538846e+00 7 1.97369141e+00 -8.09243806e+00 -7.99737886e+00 8 -4.58679586e+00 -1.59094048e+00 -3.24707055e-01 9 -2.56635290e+00 -4.24743450e+00 -3.63785863e+00 10 3.01095231e+00 3.89889229e+00 -3.20463192e+00 11 7.08863529e+00 -2.35848235e+00 -5.78878255e+00 12 -3.97230018e+00 4.06250108e+00 2.34231487e+00 13 -4.37430220e+00 -3.33258680e+00 -8.85936042e+00 14 1.62110739e+00 2.21993539e+00 -1.21585274e+00 15 8.23768943e+00 -1.97974261e+00 2.65523267e+00 16 -2.86879476e-01 5.83701813e+00 2.14046328e+00 17 -3.90007886e+00 -1.87288990e+00 -1.23792517e+00 18 1.03809808e+00 3.12963967e+00 1.48360151e+00 19 1.73105123e+00 -2.68777585e+00 2.16504519e+00 20 -1.03091263e+00 2.47980822e+00 1.44034599e+00 21 -3.83662069e+00 -2.94270673e+00 1.78889916e+00 22 4.65912385e+00 7.43676014e+00 6.16272615e+00 23 7.83410785e-01 -2.29367451e-01 1.52822928e+00 24 8.65933040e-01 8.70942231e-01 1.63059718e+00 25 -7.64149875e+00 -1.73536927e+00 5.53753689e+00 26 -1.30661878e+00 5.27424806e+00 -2.97744776e+00 27 3.43443072e+00 -9.45191241e+00 3.02037926e+00 28 -7.06795592e+00 6.36390233e+00 1.47293618e+00 29 -2.14506205e+00 -2.97980462e+00 3.78868364e-01 30 1.67576573e+00 3.43415738e+00 2.78803767e-01 31 4.08335203e+00 -2.91159852e+00 2.83654206e+00 32 2.40004907e+00 4.23517298e+00 3.83174473e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==87452== Memcheck, a memory error detector ==87452== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==87452== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==87452== Command: python runner2.py EAM_Dynamo_JacobsenNorskovPuska_1987_Al__MO_411692133366_000 ==87452== ==87452== Conditional jump or move depends on uninitialised value(s) ==87452== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==87452== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==87452== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==87452== by 0x547A3F: ??? (in /usr/bin/python3.6) ==87452== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==87452== by 0x5BA640: ??? (in /usr/bin/python3.6) ==87452== by 0x551B80: ??? (in /usr/bin/python3.6) ==87452== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==87452== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==87452== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==87452== by 0x509D47: ??? (in /usr/bin/python3.6) ==87452== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==87452== ==87452== Conditional jump or move depends on uninitialised value(s) ==87452== at 0x4E63408: internal_utf8_loop (loop.c:298) ==87452== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==87452== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==87452== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==87452== by 0x547A3F: ??? (in /usr/bin/python3.6) ==87452== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==87452== by 0x5BA640: ??? (in /usr/bin/python3.6) ==87452== by 0x551B80: ??? (in /usr/bin/python3.6) ==87452== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==87452== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==87452== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==87452== by 0x509D47: ??? (in /usr/bin/python3.6) ==87452== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==87452== ==87452== Conditional jump or move depends on uninitialised value(s) ==87452== at 0x4E63411: internal_utf8_loop (loop.c:303) ==87452== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==87452== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==87452== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==87452== by 0x547A3F: ??? (in /usr/bin/python3.6) ==87452== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==87452== by 0x5BA640: ??? (in /usr/bin/python3.6) ==87452== by 0x551B80: ??? (in /usr/bin/python3.6) ==87452== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==87452== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==87452== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==87452== by 0x509D47: ??? (in /usr/bin/python3.6) ==87452== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==87452== ==87452== Conditional jump or move depends on uninitialised value(s) ==87452== at 0x4E63458: internal_utf8_loop (loop.c:298) ==87452== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==87452== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==87452== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==87452== by 0x547A3F: ??? (in /usr/bin/python3.6) ==87452== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==87452== by 0x5BA640: ??? (in /usr/bin/python3.6) ==87452== by 0x551B80: ??? (in /usr/bin/python3.6) ==87452== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==87452== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==87452== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==87452== by 0x509D47: ??? (in /usr/bin/python3.6) ==87452== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==87452== ==87452== Conditional jump or move depends on uninitialised value(s) ==87452== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==87452== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==87452== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==87452== by 0x547A3F: ??? (in /usr/bin/python3.6) ==87452== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==87452== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==87452== by 0x4F8388: ??? (in /usr/bin/python3.6) ==87452== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==87452== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==87452== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==87452== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==87452== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==87452== ==87452== ==87452== HEAP SUMMARY: ==87452== in use at exit: 2,764,995 bytes in 1,647 blocks ==87452== total heap usage: 38,184 allocs, 36,537 frees, 67,055,124 bytes allocated ==87452== ==87452== LEAK SUMMARY: ==87452== definitely lost: 0 bytes in 0 blocks ==87452== indirectly lost: 0 bytes in 0 blocks ==87452== possibly lost: 146,155 bytes in 87 blocks ==87452== still reachable: 2,618,840 bytes in 1,560 blocks ==87452== suppressed: 0 bytes in 0 blocks ==87452== Rerun with --leak-check=full to see details of leaked memory ==87452== ==87452== For counts of detected and suppressed errors, rerun with: -v ==87452== Use --track-origins=yes to see where uninitialised values come from ==87452== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12385 from 658) ================================================================================ 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.