!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_002 Supported species : Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1325.8540052608057 Forces: 1 -4.11017438e+01 -3.73535418e+01 -4.48921759e+01 2 -2.07420776e+01 -2.96956061e+01 -1.18939010e+02 3 -3.10262766e+01 -1.15973884e+02 -2.71706964e+01 4 -1.04291669e+02 -1.58981483e+01 -1.03538808e+01 5 3.49942471e+00 -8.07615003e+01 -6.79683064e+01 6 7.18738466e+01 -2.39089936e+01 -8.85290660e+01 7 7.84989714e+01 -1.14813966e+02 -3.57683984e+01 8 9.16420235e+00 -5.73433090e+01 -1.71516348e+01 9 -6.44417508e+01 9.65506756e+00 -9.16237563e+01 10 -3.59277193e+01 9.13287491e+01 -9.95413125e+01 11 -8.08331212e+01 -4.43270806e+00 -3.70843563e+01 12 -8.75651950e+01 7.16490388e+01 -1.98781311e+01 13 3.10365190e+01 2.41671120e+01 -1.67918692e+02 14 5.62114820e+01 4.13654885e+01 -5.04746198e+01 15 1.74943227e+02 3.96463995e+01 -2.98730317e+01 16 2.43371226e+01 1.70272616e+02 -3.40403316e+01 17 -6.81075028e+01 -4.47387280e+01 1.85780884e+01 18 -3.22485481e+01 -3.55640905e+01 2.51854228e+01 19 -6.10992619e+00 -6.69662245e+01 6.71646677e+01 20 -6.34316824e+01 -1.63609367e+01 4.91717543e+01 21 2.27323087e+01 -1.08713258e+02 4.36902749e+01 22 1.27281093e+02 -2.23061220e+01 4.65474316e+01 23 3.89452895e+01 -2.20657462e+01 4.83146179e+01 24 9.41714012e+00 -2.45783207e+01 1.17791558e+02 25 -1.36200969e+02 1.43356687e+01 3.45553722e+01 26 -4.21692431e+01 1.37323385e+02 3.94050023e+01 27 -5.22850859e+01 -1.45669267e+00 1.14385618e+02 28 -6.03412280e+01 3.50222325e+01 3.48481872e+01 29 4.65974552e+01 2.87713615e+01 7.52469577e+01 30 1.04748604e+02 8.16743378e+01 3.23288286e+01 31 9.61145177e+01 7.00099616e+00 9.62353388e+01 32 3.14225347e+01 7.07193241e+01 9.77582805e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1325.8540052608057 Forces: 1 -4.11017438e+01 -3.73535418e+01 -4.48921759e+01 2 -2.07420776e+01 -2.96956061e+01 -1.18939010e+02 3 -3.10262766e+01 -1.15973884e+02 -2.71706964e+01 4 -1.04291669e+02 -1.58981483e+01 -1.03538808e+01 5 3.49942471e+00 -8.07615003e+01 -6.79683064e+01 6 7.18738466e+01 -2.39089936e+01 -8.85290660e+01 7 7.84989714e+01 -1.14813966e+02 -3.57683984e+01 8 9.16420235e+00 -5.73433090e+01 -1.71516348e+01 9 -6.44417508e+01 9.65506756e+00 -9.16237563e+01 10 -3.59277193e+01 9.13287491e+01 -9.95413125e+01 11 -8.08331212e+01 -4.43270806e+00 -3.70843563e+01 12 -8.75651950e+01 7.16490388e+01 -1.98781311e+01 13 3.10365190e+01 2.41671120e+01 -1.67918692e+02 14 5.62114820e+01 4.13654885e+01 -5.04746198e+01 15 1.74943227e+02 3.96463995e+01 -2.98730317e+01 16 2.43371226e+01 1.70272616e+02 -3.40403316e+01 17 -6.81075028e+01 -4.47387280e+01 1.85780884e+01 18 -3.22485481e+01 -3.55640905e+01 2.51854228e+01 19 -6.10992619e+00 -6.69662245e+01 6.71646677e+01 20 -6.34316824e+01 -1.63609367e+01 4.91717543e+01 21 2.27323087e+01 -1.08713258e+02 4.36902749e+01 22 1.27281093e+02 -2.23061220e+01 4.65474316e+01 23 3.89452895e+01 -2.20657462e+01 4.83146179e+01 24 9.41714012e+00 -2.45783207e+01 1.17791558e+02 25 -1.36200969e+02 1.43356687e+01 3.45553722e+01 26 -4.21692431e+01 1.37323385e+02 3.94050023e+01 27 -5.22850859e+01 -1.45669267e+00 1.14385618e+02 28 -6.03412280e+01 3.50222325e+01 3.48481872e+01 29 4.65974552e+01 2.87713615e+01 7.52469577e+01 30 1.04748604e+02 8.16743378e+01 3.23288286e+01 31 9.61145177e+01 7.00099616e+00 9.62353388e+01 32 3.14225347e+01 7.07193241e+01 9.77582805e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2076== Memcheck, a memory error detector ==2076== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2076== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==2076== Command: python runner2.py SW_BalamaneHauchShi_2017Brittle_Si__MO_381114941873_002 ==2076== ==2076== Conditional jump or move depends on uninitialised value(s) ==2076== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==2076== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==2076== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2076== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2076== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==2076== by 0x5BA640: ??? (in /usr/bin/python3.6) ==2076== by 0x551B80: ??? (in /usr/bin/python3.6) ==2076== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==2076== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==2076== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2076== by 0x509D47: ??? (in /usr/bin/python3.6) ==2076== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==2076== ==2076== Conditional jump or move depends on uninitialised value(s) ==2076== at 0x4E63408: internal_utf8_loop (loop.c:298) ==2076== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==2076== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==2076== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2076== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2076== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==2076== by 0x5BA640: ??? (in /usr/bin/python3.6) ==2076== by 0x551B80: ??? (in /usr/bin/python3.6) ==2076== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==2076== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==2076== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2076== by 0x509D47: ??? (in /usr/bin/python3.6) ==2076== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==2076== ==2076== Conditional jump or move depends on uninitialised value(s) ==2076== at 0x4E63411: internal_utf8_loop (loop.c:303) ==2076== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==2076== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==2076== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2076== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2076== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==2076== by 0x5BA640: ??? (in /usr/bin/python3.6) ==2076== by 0x551B80: ??? (in /usr/bin/python3.6) ==2076== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==2076== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==2076== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2076== by 0x509D47: ??? (in /usr/bin/python3.6) ==2076== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==2076== ==2076== Conditional jump or move depends on uninitialised value(s) ==2076== at 0x4E63458: internal_utf8_loop (loop.c:298) ==2076== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==2076== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==2076== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2076== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2076== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==2076== by 0x5BA640: ??? (in /usr/bin/python3.6) ==2076== by 0x551B80: ??? (in /usr/bin/python3.6) ==2076== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==2076== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==2076== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2076== by 0x509D47: ??? (in /usr/bin/python3.6) ==2076== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==2076== ==2076== Conditional jump or move depends on uninitialised value(s) ==2076== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==2076== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==2076== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2076== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2076== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==2076== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==2076== by 0x4F8388: ??? (in /usr/bin/python3.6) ==2076== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==2076== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==2076== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==2076== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==2076== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2076== ==2076== ==2076== HEAP SUMMARY: ==2076== in use at exit: 2,764,995 bytes in 1,647 blocks ==2076== total heap usage: 36,339 allocs, 34,692 frees, 61,264,782 bytes allocated ==2076== ==2076== LEAK SUMMARY: ==2076== definitely lost: 0 bytes in 0 blocks ==2076== indirectly lost: 0 bytes in 0 blocks ==2076== possibly lost: 146,155 bytes in 87 blocks ==2076== still reachable: 2,618,840 bytes in 1,560 blocks ==2076== suppressed: 0 bytes in 0 blocks ==2076== Rerun with --leak-check=full to see details of leaked memory ==2076== ==2076== For counts of detected and suppressed errors, rerun with: -v ==2076== Use --track-origins=yes to see where uninitialised values come from ==2076== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12394 from 655) ================================================================================ 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.