!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : TT_Modified_HellmannBichVogel_2007_He__MO_126942667206_002 Supported species : He random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = He (Configuration in file "config-F-He.xyz") ----------------------------------------------------------------------------------------------------- Energy = -678.1684927386856 Forces: 1 1.65268129e+01 4.23067642e+01 3.55183935e+01 2 1.22909946e+01 -9.64030108e+00 3.77407758e+01 3 -1.46774735e+01 3.83804106e+01 1.50496286e+01 4 3.00825206e+01 -2.60531275e+01 -2.11246504e+01 5 -8.25645887e+00 4.63032279e+01 2.05792825e+01 6 -2.69236531e+01 -4.63968768e+00 3.12166457e+01 7 -2.71028528e+01 6.61369081e+01 4.48537695e+01 8 2.51385347e+01 2.73771861e+01 -8.84825191e+00 9 3.92024646e+01 -1.64689604e-01 4.76577883e+01 10 1.54317153e+01 -5.96027047e+01 5.27121099e+01 11 1.83814933e+01 3.27799929e+01 -2.80107732e+01 12 3.13309983e+01 -4.35748153e+01 1.41687740e+01 13 1.96762022e+00 1.77421745e+01 1.01901461e+02 14 -2.76338544e+01 -3.14558266e+01 2.42150887e+01 15 -8.89488989e+01 1.27741597e+01 -1.56241835e+01 16 -8.56802809e+00 -7.66915120e+01 -2.70267589e+01 17 4.78679327e+01 2.38857905e+01 -4.25472855e+00 18 -1.29034075e+01 -2.88812424e+01 -5.61889413e+00 19 -3.55866495e+00 3.68158511e+01 -2.43928454e+01 20 2.39069824e+01 -1.21924234e+01 -2.26723905e+01 21 2.44216704e+01 3.77631180e+01 -1.14409062e+01 22 -5.19377696e+01 -4.47475715e+01 -3.69942255e+01 23 -2.54061857e+01 1.42133510e+01 -2.65805115e+01 24 2.91167945e+00 -1.62523734e+01 -2.72279712e+01 25 3.36185171e+01 3.16899690e+01 -1.11430651e+01 26 1.14001646e+01 -5.60236887e+01 1.76805550e+01 27 -2.01275409e+01 6.58669996e+01 -4.07055649e+01 28 6.18049708e+01 -5.26871530e+01 -2.23473502e+01 29 1.65264404e+01 3.26102331e+01 -1.71068862e+01 30 -3.26283346e+01 -4.23467259e+01 -9.07083210e+00 31 -4.23916148e+01 1.86562016e+01 -3.73280087e+01 32 -2.17467746e+01 -4.03484951e+01 -4.57754745e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = He (Configuration in file "config-T-He.xyz") ----------------------------------------------------------------------------------------------------- Energy = -678.1684927386856 Forces: 1 1.65268129e+01 4.23067642e+01 3.55183935e+01 2 1.22909946e+01 -9.64030108e+00 3.77407758e+01 3 -1.46774735e+01 3.83804106e+01 1.50496286e+01 4 3.00825206e+01 -2.60531275e+01 -2.11246504e+01 5 -8.25645887e+00 4.63032279e+01 2.05792825e+01 6 -2.69236531e+01 -4.63968768e+00 3.12166457e+01 7 -2.71028528e+01 6.61369081e+01 4.48537695e+01 8 2.51385347e+01 2.73771861e+01 -8.84825191e+00 9 3.92024646e+01 -1.64689604e-01 4.76577883e+01 10 1.54317153e+01 -5.96027047e+01 5.27121099e+01 11 1.83814933e+01 3.27799929e+01 -2.80107732e+01 12 3.13309983e+01 -4.35748153e+01 1.41687740e+01 13 1.96762022e+00 1.77421745e+01 1.01901461e+02 14 -2.76338544e+01 -3.14558266e+01 2.42150887e+01 15 -8.89488989e+01 1.27741597e+01 -1.56241835e+01 16 -8.56802809e+00 -7.66915120e+01 -2.70267589e+01 17 4.78679327e+01 2.38857905e+01 -4.25472855e+00 18 -1.29034075e+01 -2.88812424e+01 -5.61889413e+00 19 -3.55866495e+00 3.68158511e+01 -2.43928454e+01 20 2.39069824e+01 -1.21924234e+01 -2.26723905e+01 21 2.44216704e+01 3.77631180e+01 -1.14409062e+01 22 -5.19377696e+01 -4.47475715e+01 -3.69942255e+01 23 -2.54061857e+01 1.42133510e+01 -2.65805115e+01 24 2.91167945e+00 -1.62523734e+01 -2.72279712e+01 25 3.36185171e+01 3.16899690e+01 -1.11430651e+01 26 1.14001646e+01 -5.60236887e+01 1.76805550e+01 27 -2.01275409e+01 6.58669996e+01 -4.07055649e+01 28 6.18049708e+01 -5.26871530e+01 -2.23473502e+01 29 1.65264404e+01 3.26102331e+01 -1.71068862e+01 30 -3.26283346e+01 -4.23467259e+01 -9.07083210e+00 31 -4.23916148e+01 1.86562016e+01 -3.73280087e+01 32 -2.17467746e+01 -4.03484951e+01 -4.57754745e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==7702== Memcheck, a memory error detector ==7702== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==7702== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==7702== Command: python runner2.py TT_Modified_HellmannBichVogel_2007_He__MO_126942667206_002 ==7702== ==7702== Conditional jump or move depends on uninitialised value(s) ==7702== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==7702== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==7702== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7702== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7702== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7702== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7702== by 0x551B80: ??? (in /usr/bin/python3.6) ==7702== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7702== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7702== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7702== by 0x509D47: ??? (in /usr/bin/python3.6) ==7702== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7702== ==7702== Conditional jump or move depends on uninitialised value(s) ==7702== at 0x4E63408: internal_utf8_loop (loop.c:298) ==7702== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==7702== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==7702== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7702== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7702== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7702== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7702== by 0x551B80: ??? (in /usr/bin/python3.6) ==7702== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7702== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7702== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7702== by 0x509D47: ??? (in /usr/bin/python3.6) ==7702== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7702== ==7702== Conditional jump or move depends on uninitialised value(s) ==7702== at 0x4E63411: internal_utf8_loop (loop.c:303) ==7702== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==7702== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==7702== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7702== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7702== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7702== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7702== by 0x551B80: ??? (in /usr/bin/python3.6) ==7702== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7702== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7702== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7702== by 0x509D47: ??? (in /usr/bin/python3.6) ==7702== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7702== ==7702== Conditional jump or move depends on uninitialised value(s) ==7702== at 0x4E63458: internal_utf8_loop (loop.c:298) ==7702== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==7702== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==7702== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7702== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7702== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7702== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7702== by 0x551B80: ??? (in /usr/bin/python3.6) ==7702== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7702== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7702== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7702== by 0x509D47: ??? (in /usr/bin/python3.6) ==7702== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7702== ==7702== Conditional jump or move depends on uninitialised value(s) ==7702== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==7702== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==7702== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7702== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7702== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==7702== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==7702== by 0x4F8388: ??? (in /usr/bin/python3.6) ==7702== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==7702== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==7702== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==7702== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==7702== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7702== ==7702== ==7702== HEAP SUMMARY: ==7702== in use at exit: 2,764,995 bytes in 1,647 blocks ==7702== total heap usage: 35,429 allocs, 33,782 frees, 61,058,506 bytes allocated ==7702== ==7702== LEAK SUMMARY: ==7702== definitely lost: 0 bytes in 0 blocks ==7702== indirectly lost: 0 bytes in 0 blocks ==7702== possibly lost: 146,155 bytes in 87 blocks ==7702== still reachable: 2,618,840 bytes in 1,560 blocks ==7702== suppressed: 0 bytes in 0 blocks ==7702== Rerun with --leak-check=full to see details of leaked memory ==7702== ==7702== For counts of detected and suppressed errors, rerun with: -v ==7702== Use --track-origins=yes to see where uninitialised values come from ==7702== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12362 from 653) ================================================================================ 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.