!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Pd__MO_786012902615_000 Supported species : Pd random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pd (Configuration in file "config-F-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 131.2828125163628 Forces: 1 -1.19629488e+01 -2.44073183e+01 -2.78986600e+01 2 -8.36481836e+00 1.44605847e+01 -2.13665973e+01 3 1.23168988e+01 -2.12502270e+01 -2.67890237e-01 4 -1.80318978e+01 2.22247373e+01 1.40224453e+01 5 1.50805649e+01 -2.82485388e+01 -5.11278152e+00 6 8.98432944e+00 -4.59678051e+00 -1.29486173e+01 7 1.41679216e+01 -4.73241040e+01 -4.31739779e+01 8 -3.19210801e+01 -2.90126516e+01 -2.77896717e+00 9 -1.98045663e+01 -9.26289357e+00 -3.11137443e+01 10 -7.26392630e+00 3.56560699e+01 -3.51937244e+01 11 -1.57444166e+01 -2.40203882e+01 1.66794908e+01 12 -1.99700811e+01 2.11460136e+01 9.23959156e+00 13 -4.21019329e+00 -1.19144588e+01 -7.03546156e+01 14 1.23919134e+01 1.33126515e+01 -8.26342249e+00 15 7.05421297e+01 1.11390364e+01 1.44302789e+01 16 1.30067123e+01 5.33872208e+01 2.07133250e+01 17 -3.25737243e+01 -1.83215076e+01 -4.10947114e+00 18 1.27816380e+01 1.69482150e+01 -6.90780508e+00 19 1.03900725e+01 -2.49951143e+01 1.81074326e+01 20 -1.50585983e+01 1.11196374e+01 1.76259462e+01 21 -1.69692234e+01 -2.03525966e+01 1.39445576e+01 22 3.77306972e+01 2.88905697e+01 3.18366668e+01 23 6.01394322e+00 -3.85641530e+00 1.32252165e+01 24 7.74346951e+00 4.30313149e+00 1.26555007e+01 25 -2.39048051e+01 -7.67600002e+00 -3.85697743e+00 26 -1.03634479e+01 3.61647102e+01 -1.27935011e+01 27 1.30002656e+01 -4.23258783e+01 2.62208489e+01 28 -3.99757626e+01 3.41623218e+01 1.24166191e+01 29 -1.09858305e+01 -1.44458900e+01 1.73176348e+01 30 1.71075464e+01 2.49412986e+01 -8.72108450e+00 31 2.29968239e+01 -2.02190429e+01 2.78077085e+01 32 1.28503945e+01 2.43736073e+01 2.86185743e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pd (Configuration in file "config-T-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 131.2828125163628 Forces: 1 -1.19629488e+01 -2.44073183e+01 -2.78986600e+01 2 -8.36481836e+00 1.44605847e+01 -2.13665973e+01 3 1.23168988e+01 -2.12502270e+01 -2.67890237e-01 4 -1.80318978e+01 2.22247373e+01 1.40224453e+01 5 1.50805649e+01 -2.82485388e+01 -5.11278152e+00 6 8.98432944e+00 -4.59678051e+00 -1.29486173e+01 7 1.41679216e+01 -4.73241040e+01 -4.31739779e+01 8 -3.19210801e+01 -2.90126516e+01 -2.77896717e+00 9 -1.98045663e+01 -9.26289357e+00 -3.11137443e+01 10 -7.26392630e+00 3.56560699e+01 -3.51937244e+01 11 -1.57444166e+01 -2.40203882e+01 1.66794908e+01 12 -1.99700811e+01 2.11460136e+01 9.23959156e+00 13 -4.21019329e+00 -1.19144588e+01 -7.03546156e+01 14 1.23919134e+01 1.33126515e+01 -8.26342249e+00 15 7.05421297e+01 1.11390364e+01 1.44302789e+01 16 1.30067123e+01 5.33872208e+01 2.07133250e+01 17 -3.25737243e+01 -1.83215076e+01 -4.10947114e+00 18 1.27816380e+01 1.69482150e+01 -6.90780508e+00 19 1.03900725e+01 -2.49951143e+01 1.81074326e+01 20 -1.50585983e+01 1.11196374e+01 1.76259462e+01 21 -1.69692234e+01 -2.03525966e+01 1.39445576e+01 22 3.77306972e+01 2.88905697e+01 3.18366668e+01 23 6.01394322e+00 -3.85641530e+00 1.32252165e+01 24 7.74346951e+00 4.30313149e+00 1.26555007e+01 25 -2.39048051e+01 -7.67600002e+00 -3.85697743e+00 26 -1.03634479e+01 3.61647102e+01 -1.27935011e+01 27 1.30002656e+01 -4.23258783e+01 2.62208489e+01 28 -3.99757626e+01 3.41623218e+01 1.24166191e+01 29 -1.09858305e+01 -1.44458900e+01 1.73176348e+01 30 1.71075464e+01 2.49412986e+01 -8.72108450e+00 31 2.29968239e+01 -2.02190429e+01 2.78077085e+01 32 1.28503945e+01 2.43736073e+01 2.86185743e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==86627== Memcheck, a memory error detector ==86627== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==86627== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==86627== Command: python runner2.py EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Pd__MO_786012902615_000 ==86627== ==86627== Conditional jump or move depends on uninitialised value(s) ==86627== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==86627== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==86627== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86627== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86627== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==86627== by 0x5BA640: ??? (in /usr/bin/python3.6) ==86627== by 0x551B80: ??? (in /usr/bin/python3.6) ==86627== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==86627== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==86627== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86627== by 0x509D47: ??? (in /usr/bin/python3.6) ==86627== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==86627== ==86627== Conditional jump or move depends on uninitialised value(s) ==86627== at 0x4E63408: internal_utf8_loop (loop.c:298) ==86627== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==86627== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==86627== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86627== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86627== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==86627== by 0x5BA640: ??? (in /usr/bin/python3.6) ==86627== by 0x551B80: ??? (in /usr/bin/python3.6) ==86627== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==86627== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==86627== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86627== by 0x509D47: ??? (in /usr/bin/python3.6) ==86627== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==86627== ==86627== Conditional jump or move depends on uninitialised value(s) ==86627== at 0x4E63411: internal_utf8_loop (loop.c:303) ==86627== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==86627== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==86627== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86627== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86627== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==86627== by 0x5BA640: ??? (in /usr/bin/python3.6) ==86627== by 0x551B80: ??? (in /usr/bin/python3.6) ==86627== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==86627== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==86627== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86627== by 0x509D47: ??? (in /usr/bin/python3.6) ==86627== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==86627== ==86627== Conditional jump or move depends on uninitialised value(s) ==86627== at 0x4E63458: internal_utf8_loop (loop.c:298) ==86627== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==86627== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==86627== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86627== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86627== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==86627== by 0x5BA640: ??? (in /usr/bin/python3.6) ==86627== by 0x551B80: ??? (in /usr/bin/python3.6) ==86627== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==86627== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==86627== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86627== by 0x509D47: ??? (in /usr/bin/python3.6) ==86627== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==86627== ==86627== Conditional jump or move depends on uninitialised value(s) ==86627== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==86627== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==86627== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==86627== by 0x547A3F: ??? (in /usr/bin/python3.6) ==86627== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==86627== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==86627== by 0x4F8388: ??? (in /usr/bin/python3.6) ==86627== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==86627== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==86627== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==86627== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==86627== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==86627== ==86627== ==86627== HEAP SUMMARY: ==86627== in use at exit: 2,764,995 bytes in 1,647 blocks ==86627== total heap usage: 36,176 allocs, 34,529 frees, 62,518,258 bytes allocated ==86627== ==86627== LEAK SUMMARY: ==86627== definitely lost: 0 bytes in 0 blocks ==86627== indirectly lost: 0 bytes in 0 blocks ==86627== possibly lost: 146,155 bytes in 87 blocks ==86627== still reachable: 2,618,840 bytes in 1,560 blocks ==86627== suppressed: 0 bytes in 0 blocks ==86627== Rerun with --leak-check=full to see details of leaked memory ==86627== ==86627== For counts of detected and suppressed errors, rerun with: -v ==86627== Use --track-origins=yes to see where uninitialised values come from ==86627== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12384 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.