!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_CubicNaturalSpline_AngeloMoody_1995_Ni__MO_800536961967_002 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -43.552124673619744 Forces: 1 -2.06073417e+00 -3.48685563e+00 -4.28629637e+00 2 -1.24641113e+00 2.20157335e+00 -3.43962284e+00 3 3.31164892e+00 -4.16442420e+00 -6.17402692e-01 4 -3.46692387e+00 2.01090099e+00 1.93510712e+00 5 -2.42955105e+00 -5.62868264e+00 -3.46916050e+00 6 3.30638418e+00 3.82998615e+00 -3.54957500e+00 7 6.71851489e+00 -1.06184063e+01 -6.63103298e+00 8 -7.97922282e+00 -5.80574977e+00 -2.67017554e+00 9 -6.58964078e+00 -7.16016510e+00 -9.30085193e+00 10 5.37310062e+00 9.79237067e+00 -8.29749498e+00 11 -3.51796553e-02 -8.74056147e+00 2.07083613e+00 12 -8.51917833e+00 9.30313147e+00 2.81515894e+00 13 4.02503424e-01 -5.15074402e+00 -1.55015527e+01 14 3.09053732e+00 3.02147467e+00 -1.51017008e+00 15 1.59229434e+01 -3.12424339e+00 -4.34147433e+00 16 1.12292811e+00 1.55386990e+01 1.54599215e+00 17 -7.48727939e+00 -4.04230007e+00 -3.10245400e+00 18 2.15980754e+00 6.52663572e+00 -1.51342575e+00 19 3.33186792e+00 -6.80467139e+00 5.32132678e+00 20 -2.76566021e+00 4.94201613e+00 3.59836016e+00 21 -6.43135219e+00 -6.54515962e+00 2.45304891e+00 22 9.51605386e+00 7.74859877e+00 7.00259647e+00 23 3.03372414e+00 -1.45979082e+00 4.07492013e+00 24 -7.94041691e-01 3.17672667e+00 3.16898706e+00 25 -6.53816904e+00 -4.30643408e+00 8.23783846e+00 26 -3.54203203e+00 1.03795754e+01 -4.57597379e+00 27 1.19343698e+00 -1.32031347e+01 5.26614436e+00 28 -8.56455645e+00 6.36517921e+00 1.70846354e+00 29 -7.18480331e+00 -6.67859993e+00 6.89978743e+00 30 5.47426283e+00 1.03055859e+01 1.42718972e+00 31 7.71284910e+00 -5.66479741e+00 7.06206959e+00 32 3.96417291e+00 7.44226642e+00 8.21883657e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -43.552124673619744 Forces: 1 -2.06073417e+00 -3.48685563e+00 -4.28629637e+00 2 -1.24641113e+00 2.20157335e+00 -3.43962284e+00 3 3.31164892e+00 -4.16442420e+00 -6.17402692e-01 4 -3.46692387e+00 2.01090099e+00 1.93510712e+00 5 -2.42955105e+00 -5.62868264e+00 -3.46916050e+00 6 3.30638418e+00 3.82998615e+00 -3.54957500e+00 7 6.71851489e+00 -1.06184063e+01 -6.63103298e+00 8 -7.97922282e+00 -5.80574977e+00 -2.67017554e+00 9 -6.58964078e+00 -7.16016510e+00 -9.30085193e+00 10 5.37310062e+00 9.79237067e+00 -8.29749498e+00 11 -3.51796553e-02 -8.74056147e+00 2.07083613e+00 12 -8.51917833e+00 9.30313147e+00 2.81515894e+00 13 4.02503424e-01 -5.15074402e+00 -1.55015527e+01 14 3.09053732e+00 3.02147467e+00 -1.51017008e+00 15 1.59229434e+01 -3.12424339e+00 -4.34147433e+00 16 1.12292811e+00 1.55386990e+01 1.54599215e+00 17 -7.48727939e+00 -4.04230007e+00 -3.10245400e+00 18 2.15980754e+00 6.52663572e+00 -1.51342575e+00 19 3.33186792e+00 -6.80467139e+00 5.32132678e+00 20 -2.76566021e+00 4.94201613e+00 3.59836016e+00 21 -6.43135219e+00 -6.54515962e+00 2.45304891e+00 22 9.51605386e+00 7.74859877e+00 7.00259647e+00 23 3.03372414e+00 -1.45979082e+00 4.07492013e+00 24 -7.94041691e-01 3.17672667e+00 3.16898706e+00 25 -6.53816904e+00 -4.30643408e+00 8.23783846e+00 26 -3.54203203e+00 1.03795754e+01 -4.57597379e+00 27 1.19343698e+00 -1.32031347e+01 5.26614436e+00 28 -8.56455645e+00 6.36517921e+00 1.70846354e+00 29 -7.18480331e+00 -6.67859993e+00 6.89978743e+00 30 5.47426283e+00 1.03055859e+01 1.42718972e+00 31 7.71284910e+00 -5.66479741e+00 7.06206959e+00 32 3.96417291e+00 7.44226642e+00 8.21883657e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==82949== Memcheck, a memory error detector ==82949== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==82949== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==82949== Command: python runner2.py EAM_CubicNaturalSpline_AngeloMoody_1995_Ni__MO_800536961967_002 ==82949== ==82949== Conditional jump or move depends on uninitialised value(s) ==82949== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==82949== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==82949== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==82949== by 0x547A3F: ??? (in /usr/bin/python3.6) ==82949== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==82949== by 0x5BA640: ??? (in /usr/bin/python3.6) ==82949== by 0x551B80: ??? (in /usr/bin/python3.6) ==82949== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==82949== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==82949== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==82949== by 0x509D47: ??? (in /usr/bin/python3.6) ==82949== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==82949== ==82949== Conditional jump or move depends on uninitialised value(s) ==82949== at 0x4E63408: internal_utf8_loop (loop.c:298) ==82949== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==82949== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==82949== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==82949== by 0x547A3F: ??? (in /usr/bin/python3.6) ==82949== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==82949== by 0x5BA640: ??? (in /usr/bin/python3.6) ==82949== by 0x551B80: ??? (in /usr/bin/python3.6) ==82949== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==82949== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==82949== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==82949== by 0x509D47: ??? (in /usr/bin/python3.6) ==82949== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==82949== ==82949== Conditional jump or move depends on uninitialised value(s) ==82949== at 0x4E63411: internal_utf8_loop (loop.c:303) ==82949== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==82949== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==82949== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==82949== by 0x547A3F: ??? (in /usr/bin/python3.6) ==82949== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==82949== by 0x5BA640: ??? (in /usr/bin/python3.6) ==82949== by 0x551B80: ??? (in /usr/bin/python3.6) ==82949== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==82949== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==82949== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==82949== by 0x509D47: ??? (in /usr/bin/python3.6) ==82949== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==82949== ==82949== Conditional jump or move depends on uninitialised value(s) ==82949== at 0x4E63458: internal_utf8_loop (loop.c:298) ==82949== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==82949== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==82949== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==82949== by 0x547A3F: ??? (in /usr/bin/python3.6) ==82949== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==82949== by 0x5BA640: ??? (in /usr/bin/python3.6) ==82949== by 0x551B80: ??? (in /usr/bin/python3.6) ==82949== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==82949== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==82949== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==82949== by 0x509D47: ??? (in /usr/bin/python3.6) ==82949== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==82949== ==82949== Conditional jump or move depends on uninitialised value(s) ==82949== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==82949== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==82949== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==82949== by 0x547A3F: ??? (in /usr/bin/python3.6) ==82949== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==82949== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==82949== by 0x4F8388: ??? (in /usr/bin/python3.6) ==82949== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==82949== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==82949== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==82949== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==82949== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==82949== ==82949== ==82949== HEAP SUMMARY: ==82949== in use at exit: 2,764,995 bytes in 1,647 blocks ==82949== total heap usage: 36,228 allocs, 34,581 frees, 68,639,750 bytes allocated ==82949== ==82949== LEAK SUMMARY: ==82949== definitely lost: 0 bytes in 0 blocks ==82949== indirectly lost: 0 bytes in 0 blocks ==82949== possibly lost: 146,155 bytes in 87 blocks ==82949== still reachable: 2,618,840 bytes in 1,560 blocks ==82949== suppressed: 0 bytes in 0 blocks ==82949== Rerun with --leak-check=full to see details of leaked memory ==82949== ==82949== For counts of detected and suppressed errors, rerun with: -v ==82949== Use --track-origins=yes to see where uninitialised values come from ==82949== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12381 from 660) ================================================================================ 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.