!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouWadleyJohnson_2001NISTretabulation_Al__MO_060567868558_000 Supported species : Al random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 14.935043731159102 Forces: 1 -3.27326940e+00 -8.23296955e+00 -6.97866122e+00 2 -2.35822137e+00 1.71404070e+00 -8.35261951e+00 3 3.11514666e+00 -8.21630779e+00 -2.91624142e+00 4 -6.58488679e+00 5.10293689e+00 4.30539863e+00 5 1.39872370e+00 -9.60100525e+00 -4.37767966e+00 6 5.63182037e+00 1.12180151e+00 -6.59055212e+00 7 5.84013668e+00 -1.34609011e+01 -8.55652048e+00 8 -5.25695264e+00 -5.95235292e+00 1.97375675e+00 9 -8.15191736e+00 -7.94323062e-02 -9.96422488e+00 10 -3.13143373e+00 1.25892897e+01 -1.09973415e+01 11 -4.40084354e+00 -7.06155088e+00 5.55335641e+00 12 -6.68906611e+00 8.94176266e+00 -2.56075728e+00 13 1.77988691e-01 -3.69318823e+00 -2.16050220e+01 14 5.67497584e+00 6.39760943e+00 -4.97264605e+00 15 1.90264046e+01 -2.71062030e+00 2.83787510e+00 16 1.52997506e+00 1.68550079e+01 5.39461838e+00 17 -9.90104383e+00 -4.84170175e+00 7.78866240e-01 18 2.73582620e+00 6.00583301e+00 1.18045482e+00 19 8.58316723e-01 -7.56137961e+00 5.10809583e+00 20 -4.76925771e+00 2.77246619e+00 4.56408466e+00 21 -5.13543002e+00 -8.10247733e+00 2.33064435e+00 22 1.10022480e+01 8.91071370e+00 7.37962680e+00 23 4.91910358e+00 -2.63896651e+00 5.26105042e+00 24 -6.81474941e-01 3.64578513e+00 5.69482560e+00 25 -7.57342407e+00 -6.68593719e+00 2.07996232e+00 26 -2.26039756e+00 1.22009785e+01 -3.57147832e+00 27 3.69377075e+00 -1.34728294e+01 8.78918590e+00 28 -1.22284248e+01 1.02095306e+01 4.57001048e+00 29 -3.41623614e+00 -7.27046957e+00 4.24832852e+00 30 6.99144072e+00 8.85465119e+00 1.95625149e+00 31 8.68811395e+00 -4.04794102e+00 7.78134661e+00 32 4.52828839e+00 8.30762360e+00 9.65600519e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 14.935043731159102 Forces: 1 -3.27326940e+00 -8.23296955e+00 -6.97866122e+00 2 -2.35822137e+00 1.71404070e+00 -8.35261951e+00 3 3.11514666e+00 -8.21630779e+00 -2.91624142e+00 4 -6.58488679e+00 5.10293689e+00 4.30539863e+00 5 1.39872370e+00 -9.60100525e+00 -4.37767966e+00 6 5.63182037e+00 1.12180151e+00 -6.59055212e+00 7 5.84013668e+00 -1.34609011e+01 -8.55652048e+00 8 -5.25695264e+00 -5.95235292e+00 1.97375675e+00 9 -8.15191736e+00 -7.94323062e-02 -9.96422488e+00 10 -3.13143373e+00 1.25892897e+01 -1.09973415e+01 11 -4.40084354e+00 -7.06155088e+00 5.55335641e+00 12 -6.68906611e+00 8.94176266e+00 -2.56075728e+00 13 1.77988691e-01 -3.69318823e+00 -2.16050220e+01 14 5.67497584e+00 6.39760943e+00 -4.97264605e+00 15 1.90264046e+01 -2.71062030e+00 2.83787510e+00 16 1.52997506e+00 1.68550079e+01 5.39461838e+00 17 -9.90104383e+00 -4.84170175e+00 7.78866240e-01 18 2.73582620e+00 6.00583301e+00 1.18045482e+00 19 8.58316723e-01 -7.56137961e+00 5.10809583e+00 20 -4.76925771e+00 2.77246619e+00 4.56408466e+00 21 -5.13543002e+00 -8.10247733e+00 2.33064435e+00 22 1.10022480e+01 8.91071370e+00 7.37962680e+00 23 4.91910358e+00 -2.63896651e+00 5.26105042e+00 24 -6.81474941e-01 3.64578513e+00 5.69482560e+00 25 -7.57342407e+00 -6.68593719e+00 2.07996232e+00 26 -2.26039756e+00 1.22009785e+01 -3.57147832e+00 27 3.69377075e+00 -1.34728294e+01 8.78918590e+00 28 -1.22284248e+01 1.02095306e+01 4.57001048e+00 29 -3.41623614e+00 -7.27046957e+00 4.24832852e+00 30 6.99144072e+00 8.85465119e+00 1.95625149e+00 31 8.68811395e+00 -4.04794102e+00 7.78134661e+00 32 4.52828839e+00 8.30762360e+00 9.65600519e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==92724== Memcheck, a memory error detector ==92724== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==92724== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==92724== Command: python runner2.py EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Al__MO_060567868558_000 ==92724== ==92724== Conditional jump or move depends on uninitialised value(s) ==92724== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==92724== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==92724== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==92724== by 0x547A3F: ??? (in /usr/bin/python3.6) ==92724== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==92724== by 0x5BA640: ??? (in /usr/bin/python3.6) ==92724== by 0x551B80: ??? (in /usr/bin/python3.6) ==92724== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==92724== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==92724== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==92724== by 0x509D47: ??? (in /usr/bin/python3.6) ==92724== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==92724== ==92724== Conditional jump or move depends on uninitialised value(s) ==92724== at 0x4E63408: internal_utf8_loop (loop.c:298) ==92724== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==92724== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==92724== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==92724== by 0x547A3F: ??? (in /usr/bin/python3.6) ==92724== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==92724== by 0x5BA640: ??? (in /usr/bin/python3.6) ==92724== by 0x551B80: ??? (in /usr/bin/python3.6) ==92724== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==92724== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==92724== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==92724== by 0x509D47: ??? (in /usr/bin/python3.6) ==92724== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==92724== ==92724== Conditional jump or move depends on uninitialised value(s) ==92724== at 0x4E63411: internal_utf8_loop (loop.c:303) ==92724== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==92724== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==92724== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==92724== by 0x547A3F: ??? (in /usr/bin/python3.6) ==92724== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==92724== by 0x5BA640: ??? (in /usr/bin/python3.6) ==92724== by 0x551B80: ??? (in /usr/bin/python3.6) ==92724== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==92724== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==92724== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==92724== by 0x509D47: ??? (in /usr/bin/python3.6) ==92724== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==92724== ==92724== Conditional jump or move depends on uninitialised value(s) ==92724== at 0x4E63458: internal_utf8_loop (loop.c:298) ==92724== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==92724== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==92724== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==92724== by 0x547A3F: ??? (in /usr/bin/python3.6) ==92724== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==92724== by 0x5BA640: ??? (in /usr/bin/python3.6) ==92724== by 0x551B80: ??? (in /usr/bin/python3.6) ==92724== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==92724== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==92724== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==92724== by 0x509D47: ??? (in /usr/bin/python3.6) ==92724== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==92724== ==92724== Conditional jump or move depends on uninitialised value(s) ==92724== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==92724== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==92724== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==92724== by 0x547A3F: ??? (in /usr/bin/python3.6) ==92724== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==92724== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==92724== by 0x4F8388: ??? (in /usr/bin/python3.6) ==92724== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==92724== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==92724== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==92724== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==92724== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==92724== ==92724== ==92724== HEAP SUMMARY: ==92724== in use at exit: 2,764,995 bytes in 1,647 blocks ==92724== total heap usage: 36,172 allocs, 34,525 frees, 64,217,108 bytes allocated ==92724== ==92724== LEAK SUMMARY: ==92724== definitely lost: 0 bytes in 0 blocks ==92724== indirectly lost: 0 bytes in 0 blocks ==92724== possibly lost: 146,155 bytes in 87 blocks ==92724== still reachable: 2,618,840 bytes in 1,560 blocks ==92724== suppressed: 0 bytes in 0 blocks ==92724== Rerun with --leak-check=full to see details of leaked memory ==92724== ==92724== For counts of detected and suppressed errors, rerun with: -v ==92724== Use --track-origins=yes to see where uninitialised values come from ==92724== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 11147 from 669) ================================================================================ 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.