!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_FoilesBaskesDaw_1986Universal3_Au__MO_559016907324_000 Supported species : Au random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Au (Configuration in file "config-F-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 219.18640198409003 Forces: 1 -1.65081236e+01 -3.30143151e+01 -3.71221132e+01 2 -1.11993716e+01 1.86221597e+01 -2.94288583e+01 3 1.43143531e+01 -2.85199298e+01 -3.22469769e-01 4 -2.46423445e+01 2.96617334e+01 1.85709440e+01 5 1.98992046e+01 -3.85390551e+01 -7.79622993e+00 6 1.29936708e+01 -6.08066330e+00 -1.79268647e+01 7 1.88779448e+01 -5.95940137e+01 -5.36833845e+01 8 -3.74467586e+01 -3.53041001e+01 -3.58712935e+00 9 -2.60381749e+01 -1.07151123e+01 -3.98542886e+01 10 -9.41035738e+00 4.55490188e+01 -4.47678435e+01 11 -2.28313749e+01 -2.77799275e+01 2.29474124e+01 12 -2.57242365e+01 2.45158159e+01 1.44411807e+01 13 -4.35592941e+00 -1.37417423e+01 -8.67285963e+01 14 1.67468591e+01 1.76752742e+01 -1.22737621e+01 15 8.60778601e+01 9.52764513e+00 1.30625030e+01 16 1.37413743e+01 6.62116837e+01 2.36245434e+01 17 -4.05623881e+01 -2.13933143e+01 1.50443948e-01 18 1.55540947e+01 1.77475217e+01 -5.90011442e+00 19 1.13709914e+01 -2.44442201e+01 2.48284892e+01 20 -1.74399215e+01 3.90538662e+00 2.02628191e+01 21 -2.05519596e+01 -2.56415067e+01 1.82407679e+01 22 4.83741375e+01 3.28928539e+01 4.56974454e+01 23 7.26749517e+00 -4.76791829e+00 1.09247301e+01 24 5.01768856e+00 -1.27208791e+00 1.58121518e+01 25 -3.88894337e+01 -1.39371718e+01 -3.07353476e+01 26 -1.10038479e+01 4.76825356e+01 -1.76145020e+01 27 2.90296203e+01 -5.24423517e+01 4.53034629e+01 28 -5.47792003e+01 5.41448270e+01 2.49628886e+01 29 -1.26206263e+01 -1.62241337e+01 2.24015526e+01 30 2.23307752e+01 2.71577463e+01 1.40906010e+00 31 3.30896222e+01 -1.36328908e+01 2.91574310e+01 32 1.93183569e+01 3.17502526e+01 3.59436783e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Au (Configuration in file "config-T-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 219.18640198409003 Forces: 1 -1.65081236e+01 -3.30143151e+01 -3.71221132e+01 2 -1.11993716e+01 1.86221597e+01 -2.94288583e+01 3 1.43143531e+01 -2.85199298e+01 -3.22469769e-01 4 -2.46423445e+01 2.96617334e+01 1.85709440e+01 5 1.98992046e+01 -3.85390551e+01 -7.79622993e+00 6 1.29936708e+01 -6.08066330e+00 -1.79268647e+01 7 1.88779448e+01 -5.95940137e+01 -5.36833845e+01 8 -3.74467586e+01 -3.53041001e+01 -3.58712935e+00 9 -2.60381749e+01 -1.07151123e+01 -3.98542886e+01 10 -9.41035738e+00 4.55490188e+01 -4.47678435e+01 11 -2.28313749e+01 -2.77799275e+01 2.29474124e+01 12 -2.57242365e+01 2.45158159e+01 1.44411807e+01 13 -4.35592941e+00 -1.37417423e+01 -8.67285963e+01 14 1.67468591e+01 1.76752742e+01 -1.22737621e+01 15 8.60778601e+01 9.52764513e+00 1.30625030e+01 16 1.37413743e+01 6.62116837e+01 2.36245434e+01 17 -4.05623881e+01 -2.13933143e+01 1.50443948e-01 18 1.55540947e+01 1.77475217e+01 -5.90011442e+00 19 1.13709914e+01 -2.44442201e+01 2.48284892e+01 20 -1.74399215e+01 3.90538662e+00 2.02628191e+01 21 -2.05519596e+01 -2.56415067e+01 1.82407679e+01 22 4.83741375e+01 3.28928539e+01 4.56974454e+01 23 7.26749517e+00 -4.76791829e+00 1.09247301e+01 24 5.01768856e+00 -1.27208791e+00 1.58121518e+01 25 -3.88894337e+01 -1.39371718e+01 -3.07353476e+01 26 -1.10038479e+01 4.76825356e+01 -1.76145020e+01 27 2.90296203e+01 -5.24423517e+01 4.53034629e+01 28 -5.47792003e+01 5.41448270e+01 2.49628886e+01 29 -1.26206263e+01 -1.62241337e+01 2.24015526e+01 30 2.23307752e+01 2.71577463e+01 1.40906010e+00 31 3.30896222e+01 -1.36328908e+01 2.91574310e+01 32 1.93183569e+01 3.17502526e+01 3.59436783e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==86430== Memcheck, a memory error detector ==86430== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==86430== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==86430== Command: python runner2.py EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Au__MO_559016907324_000 ==86430== ==86430== Conditional jump or move depends on uninitialised value(s) ==86430== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==86430== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==86430== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86430== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86430== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==86430== by 0x5BA640: ??? (in /usr/bin/python3.6) ==86430== by 0x551B80: ??? (in /usr/bin/python3.6) ==86430== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==86430== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==86430== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86430== by 0x509D47: ??? (in /usr/bin/python3.6) ==86430== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==86430== ==86430== Conditional jump or move depends on uninitialised value(s) ==86430== at 0x4E63408: internal_utf8_loop (loop.c:298) ==86430== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==86430== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==86430== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86430== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86430== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==86430== by 0x5BA640: ??? (in /usr/bin/python3.6) ==86430== by 0x551B80: ??? (in /usr/bin/python3.6) ==86430== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==86430== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==86430== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86430== by 0x509D47: ??? (in /usr/bin/python3.6) ==86430== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==86430== ==86430== Conditional jump or move depends on uninitialised value(s) ==86430== at 0x4E63411: internal_utf8_loop (loop.c:303) ==86430== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==86430== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==86430== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86430== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86430== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==86430== by 0x5BA640: ??? (in /usr/bin/python3.6) ==86430== by 0x551B80: ??? (in /usr/bin/python3.6) ==86430== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==86430== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==86430== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86430== by 0x509D47: ??? (in /usr/bin/python3.6) ==86430== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==86430== ==86430== Conditional jump or move depends on uninitialised value(s) ==86430== at 0x4E63458: internal_utf8_loop (loop.c:298) ==86430== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==86430== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==86430== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86430== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86430== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==86430== by 0x5BA640: ??? (in /usr/bin/python3.6) ==86430== by 0x551B80: ??? (in /usr/bin/python3.6) ==86430== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==86430== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==86430== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86430== by 0x509D47: ??? (in /usr/bin/python3.6) ==86430== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==86430== ==86430== Conditional jump or move depends on uninitialised value(s) ==86430== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==86430== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==86430== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86430== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86430== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==86430== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==86430== by 0x4F8388: ??? (in /usr/bin/python3.6) ==86430== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==86430== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==86430== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==86430== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==86430== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86430== ==86430== ==86430== HEAP SUMMARY: ==86430== in use at exit: 2,764,995 bytes in 1,647 blocks ==86430== total heap usage: 36,176 allocs, 34,529 frees, 62,518,482 bytes allocated ==86430== ==86430== LEAK SUMMARY: ==86430== definitely lost: 0 bytes in 0 blocks ==86430== indirectly lost: 0 bytes in 0 blocks ==86430== possibly lost: 146,155 bytes in 87 blocks ==86430== still reachable: 2,618,840 bytes in 1,560 blocks ==86430== suppressed: 0 bytes in 0 blocks ==86430== Rerun with --leak-check=full to see details of leaked memory ==86430== ==86430== For counts of detected and suppressed errors, rerun with: -v ==86430== Use --track-origins=yes to see where uninitialised values come from ==86430== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12380 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.