!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EDIP_BelkoGusakovDorozhkin_2010_Ge__MO_129433059219_001 Supported species : Ge random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ge (Configuration in file "config-F-Ge.xyz") ----------------------------------------------------------------------------------------------------- Energy = 313.101498704173 Forces: 1 -9.56636227e+00 -1.14422155e+01 -9.26113141e+00 2 -7.17530462e+00 -1.12899959e+01 -3.81689916e+01 3 -1.30510700e+01 -3.55698957e+01 -8.86204363e-01 4 -1.64837570e+01 -2.07348377e+00 -7.21877847e+00 5 4.66284561e+00 -2.88113753e+01 -2.66580111e+01 6 1.42781574e+01 -1.55051006e-01 -1.69149752e+01 7 3.74223821e+01 -4.66339951e+01 -3.24440532e+00 8 -3.50929464e+00 -1.83909744e+01 -3.40061667e+01 9 -2.57003950e+01 -1.58621562e+00 -3.10630710e+01 10 -8.38102926e+00 3.86756408e+01 -4.22179775e+01 11 -8.03538613e+00 1.50386966e+01 -2.03434336e+01 12 -1.95978827e+01 1.60864288e+01 -2.65971799e+00 13 1.65759535e+00 1.67199701e+01 -3.44546124e+01 14 1.20628595e+01 7.94763891e+00 -1.17722704e+01 15 3.85572671e+01 1.00749830e+01 -1.52773824e+01 16 2.39223528e+01 3.28465857e+01 -1.64281564e+01 17 -2.37939407e+01 -8.24607659e+00 9.82968641e-01 18 -2.72690660e+01 -1.19789400e+01 3.16980612e+01 19 1.19591088e-01 -2.31651691e+01 1.15697739e+01 20 -1.47403741e+01 -2.81894213e+00 1.80865078e+01 21 1.32308374e+01 -3.31374527e+01 1.31049273e+01 22 3.35948967e+01 -1.25202815e+01 9.30514987e+00 23 6.94272672e+00 -8.18618879e+00 1.13153026e+01 24 -4.52796611e-01 -6.10772584e+00 3.62679076e+01 25 -4.79576295e+01 -9.28541286e+00 1.90179386e+01 26 -2.47048481e+01 4.74980412e+01 1.26021627e+01 27 -1.48860225e+01 6.71934110e+00 3.53978681e+01 28 -1.08164625e+01 1.08965071e+01 8.04539610e+00 29 6.01618397e+00 1.68544483e+01 1.27266449e+01 30 2.71389546e+01 3.39797646e+01 1.22352153e+01 31 4.27014709e+01 4.18525425e-01 4.44986569e+01 32 1.38135005e+01 1.76428202e+01 3.37208041e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ge (Configuration in file "config-T-Ge.xyz") ----------------------------------------------------------------------------------------------------- Energy = 313.101498704173 Forces: 1 -9.56636227e+00 -1.14422155e+01 -9.26113141e+00 2 -7.17530462e+00 -1.12899959e+01 -3.81689916e+01 3 -1.30510700e+01 -3.55698957e+01 -8.86204363e-01 4 -1.64837570e+01 -2.07348377e+00 -7.21877847e+00 5 4.66284561e+00 -2.88113753e+01 -2.66580111e+01 6 1.42781574e+01 -1.55051006e-01 -1.69149752e+01 7 3.74223821e+01 -4.66339951e+01 -3.24440532e+00 8 -3.50929464e+00 -1.83909744e+01 -3.40061667e+01 9 -2.57003950e+01 -1.58621562e+00 -3.10630710e+01 10 -8.38102926e+00 3.86756408e+01 -4.22179775e+01 11 -8.03538613e+00 1.50386966e+01 -2.03434336e+01 12 -1.95978827e+01 1.60864288e+01 -2.65971799e+00 13 1.65759535e+00 1.67199701e+01 -3.44546124e+01 14 1.20628595e+01 7.94763891e+00 -1.17722704e+01 15 3.85572671e+01 1.00749830e+01 -1.52773824e+01 16 2.39223528e+01 3.28465857e+01 -1.64281564e+01 17 -2.37939407e+01 -8.24607659e+00 9.82968641e-01 18 -2.72690660e+01 -1.19789400e+01 3.16980612e+01 19 1.19591088e-01 -2.31651691e+01 1.15697739e+01 20 -1.47403741e+01 -2.81894213e+00 1.80865078e+01 21 1.32308374e+01 -3.31374527e+01 1.31049273e+01 22 3.35948967e+01 -1.25202815e+01 9.30514987e+00 23 6.94272672e+00 -8.18618879e+00 1.13153026e+01 24 -4.52796611e-01 -6.10772584e+00 3.62679076e+01 25 -4.79576295e+01 -9.28541286e+00 1.90179386e+01 26 -2.47048481e+01 4.74980412e+01 1.26021627e+01 27 -1.48860225e+01 6.71934110e+00 3.53978681e+01 28 -1.08164625e+01 1.08965071e+01 8.04539610e+00 29 6.01618397e+00 1.68544483e+01 1.27266449e+01 30 2.71389546e+01 3.39797646e+01 1.22352153e+01 31 4.27014709e+01 4.18525425e-01 4.44986569e+01 32 1.38135005e+01 1.76428202e+01 3.37208041e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==95260== Memcheck, a memory error detector ==95260== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==95260== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==95260== Command: python runner2.py EDIP_BelkoGusakovDorozhkin_2010_Ge__MO_129433059219_001 ==95260== ==95260== Conditional jump or move depends on uninitialised value(s) ==95260== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==95260== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==95260== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95260== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95260== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95260== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95260== by 0x551B80: ??? (in /usr/bin/python3.6) ==95260== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95260== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95260== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95260== by 0x509D47: ??? (in /usr/bin/python3.6) ==95260== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95260== ==95260== Conditional jump or move depends on uninitialised value(s) ==95260== at 0x4E63408: internal_utf8_loop (loop.c:298) ==95260== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==95260== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==95260== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95260== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95260== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95260== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95260== by 0x551B80: ??? (in /usr/bin/python3.6) ==95260== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95260== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95260== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95260== by 0x509D47: ??? (in /usr/bin/python3.6) ==95260== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95260== ==95260== Conditional jump or move depends on uninitialised value(s) ==95260== at 0x4E63411: internal_utf8_loop (loop.c:303) ==95260== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==95260== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==95260== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95260== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95260== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95260== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95260== by 0x551B80: ??? (in /usr/bin/python3.6) ==95260== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95260== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95260== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95260== by 0x509D47: ??? (in /usr/bin/python3.6) ==95260== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95260== ==95260== Conditional jump or move depends on uninitialised value(s) ==95260== at 0x4E63458: internal_utf8_loop (loop.c:298) ==95260== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==95260== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==95260== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95260== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95260== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95260== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95260== by 0x551B80: ??? (in /usr/bin/python3.6) ==95260== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95260== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95260== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95260== by 0x509D47: ??? (in /usr/bin/python3.6) ==95260== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95260== ==95260== Conditional jump or move depends on uninitialised value(s) ==95260== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==95260== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==95260== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95260== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95260== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==95260== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==95260== by 0x4F8388: ??? (in /usr/bin/python3.6) ==95260== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==95260== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==95260== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==95260== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==95260== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95260== ==95260== ==95260== HEAP SUMMARY: ==95260== in use at exit: 2,764,995 bytes in 1,647 blocks ==95260== total heap usage: 36,831 allocs, 35,184 frees, 61,455,702 bytes allocated ==95260== ==95260== LEAK SUMMARY: ==95260== definitely lost: 0 bytes in 0 blocks ==95260== indirectly lost: 0 bytes in 0 blocks ==95260== possibly lost: 146,155 bytes in 87 blocks ==95260== still reachable: 2,618,840 bytes in 1,560 blocks ==95260== suppressed: 0 bytes in 0 blocks ==95260== Rerun with --leak-check=full to see details of leaked memory ==95260== ==95260== For counts of detected and suppressed errors, rerun with: -v ==95260== Use --track-origins=yes to see where uninitialised values come from ==95260== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12390 from 654) ================================================================================ 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.