!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_002 Supported species : Fe random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Fe (Configuration in file "config-F-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 133.7361261293032 Forces: 1 -1.08679005e+01 -1.51194818e+01 -2.02208239e+01 2 -1.22736031e+01 2.47149496e+01 -8.85311066e+00 3 7.47604122e+00 -2.96034595e+01 -2.58590492e+00 4 -1.86805491e+01 1.25207821e+01 8.80094597e+00 5 3.02803420e+01 -2.28620138e+01 -1.14368837e+01 6 2.47742549e+00 4.77706008e+00 -9.94354405e+00 7 7.80682436e+00 -4.79258898e+01 -3.90371435e+01 8 -3.10425549e+01 -3.10160135e+01 -8.86635285e+00 9 -2.31071628e+01 -2.60381065e+01 -3.21064885e+01 10 5.75860468e+00 4.30446800e+01 -4.64159682e+01 11 1.28182975e+00 -2.74923043e+01 1.48702494e+01 12 -2.90559765e+01 2.14581168e+01 1.78217648e+01 13 -1.71539384e+01 -3.85383770e+01 -8.55953543e+01 14 2.70368866e+01 3.57610498e+01 -2.16420187e+01 15 7.06383321e+01 -3.56395459e+01 1.64453159e+01 16 6.45804125e-01 6.93542953e+01 4.00015699e+01 17 -4.32856053e+01 -2.08027651e+01 -2.03806499e+01 18 1.75752512e+01 4.33161879e+01 2.00780054e+00 19 2.56574147e+01 -3.67114527e+01 2.94400382e+01 20 -1.34475106e+01 2.80290784e+01 2.11107201e+01 21 -3.47632991e+01 -3.49086484e+01 -1.11238154e+01 22 4.87203846e+01 4.36350947e+01 3.51291337e+01 23 3.11780043e+01 -1.45448369e+01 1.83423908e+01 24 -1.94192059e+01 3.21003856e+01 2.04652477e+01 25 -4.29662295e+01 -2.39821392e+01 -5.61695063e-01 26 -2.01577717e+00 5.01011491e+01 -2.60326241e+01 27 2.45071716e+01 -5.59928911e+01 3.11188736e+01 28 -4.16450998e+01 3.79081853e+01 1.29004962e+01 29 -1.29834683e+01 -2.51049525e+01 1.79241914e+01 30 1.72280034e+01 3.97237840e+01 -1.60508686e-01 31 2.48190207e+01 -2.86273182e+01 2.78015032e+01 32 9.62054019e+00 2.84653975e+01 3.07826450e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Fe (Configuration in file "config-T-Fe.xyz") ----------------------------------------------------------------------------------------------------- Energy = 133.7361261293032 Forces: 1 -1.08679005e+01 -1.51194818e+01 -2.02208239e+01 2 -1.22736031e+01 2.47149496e+01 -8.85311066e+00 3 7.47604122e+00 -2.96034595e+01 -2.58590492e+00 4 -1.86805491e+01 1.25207821e+01 8.80094597e+00 5 3.02803420e+01 -2.28620138e+01 -1.14368837e+01 6 2.47742549e+00 4.77706008e+00 -9.94354405e+00 7 7.80682436e+00 -4.79258898e+01 -3.90371435e+01 8 -3.10425549e+01 -3.10160135e+01 -8.86635285e+00 9 -2.31071628e+01 -2.60381065e+01 -3.21064885e+01 10 5.75860468e+00 4.30446800e+01 -4.64159682e+01 11 1.28182975e+00 -2.74923043e+01 1.48702494e+01 12 -2.90559765e+01 2.14581168e+01 1.78217648e+01 13 -1.71539384e+01 -3.85383770e+01 -8.55953543e+01 14 2.70368866e+01 3.57610498e+01 -2.16420187e+01 15 7.06383321e+01 -3.56395459e+01 1.64453159e+01 16 6.45804125e-01 6.93542953e+01 4.00015699e+01 17 -4.32856053e+01 -2.08027651e+01 -2.03806499e+01 18 1.75752512e+01 4.33161879e+01 2.00780054e+00 19 2.56574147e+01 -3.67114527e+01 2.94400382e+01 20 -1.34475106e+01 2.80290784e+01 2.11107201e+01 21 -3.47632991e+01 -3.49086484e+01 -1.11238154e+01 22 4.87203846e+01 4.36350947e+01 3.51291337e+01 23 3.11780043e+01 -1.45448369e+01 1.83423908e+01 24 -1.94192059e+01 3.21003856e+01 2.04652477e+01 25 -4.29662295e+01 -2.39821392e+01 -5.61695063e-01 26 -2.01577717e+00 5.01011491e+01 -2.60326241e+01 27 2.45071716e+01 -5.59928911e+01 3.11188736e+01 28 -4.16450998e+01 3.79081853e+01 1.29004962e+01 29 -1.29834683e+01 -2.51049525e+01 1.79241914e+01 30 1.72280034e+01 3.97237840e+01 -1.60508686e-01 31 2.48190207e+01 -2.86273182e+01 2.78015032e+01 32 9.62054019e+00 2.84653975e+01 3.07826450e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==94913== Memcheck, a memory error detector ==94913== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==94913== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==94913== Command: python runner2.py EAM_MagneticCubic_DudarevDerlet_2005_Fe__MO_135034229282_002 ==94913== ==94913== Conditional jump or move depends on uninitialised value(s) ==94913== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==94913== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==94913== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==94913== by 0x547A3F: ??? (in /usr/bin/python3.6) ==94913== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==94913== by 0x5BA640: ??? (in /usr/bin/python3.6) ==94913== by 0x551B80: ??? (in /usr/bin/python3.6) ==94913== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==94913== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==94913== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==94913== by 0x509D47: ??? (in /usr/bin/python3.6) ==94913== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==94913== ==94913== Conditional jump or move depends on uninitialised value(s) ==94913== at 0x4E63408: internal_utf8_loop (loop.c:298) ==94913== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==94913== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==94913== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==94913== by 0x547A3F: ??? (in /usr/bin/python3.6) ==94913== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==94913== by 0x5BA640: ??? (in /usr/bin/python3.6) ==94913== by 0x551B80: ??? (in /usr/bin/python3.6) ==94913== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==94913== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==94913== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==94913== by 0x509D47: ??? (in /usr/bin/python3.6) ==94913== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==94913== ==94913== Conditional jump or move depends on uninitialised value(s) ==94913== at 0x4E63411: internal_utf8_loop (loop.c:303) ==94913== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==94913== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==94913== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==94913== by 0x547A3F: ??? (in /usr/bin/python3.6) ==94913== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==94913== by 0x5BA640: ??? (in /usr/bin/python3.6) ==94913== by 0x551B80: ??? (in /usr/bin/python3.6) ==94913== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==94913== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==94913== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==94913== by 0x509D47: ??? (in /usr/bin/python3.6) ==94913== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==94913== ==94913== Conditional jump or move depends on uninitialised value(s) ==94913== at 0x4E63458: internal_utf8_loop (loop.c:298) ==94913== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==94913== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==94913== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==94913== by 0x547A3F: ??? (in /usr/bin/python3.6) ==94913== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==94913== by 0x5BA640: ??? (in /usr/bin/python3.6) ==94913== by 0x551B80: ??? (in /usr/bin/python3.6) ==94913== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==94913== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==94913== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==94913== by 0x509D47: ??? (in /usr/bin/python3.6) ==94913== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==94913== ==94913== Conditional jump or move depends on uninitialised value(s) ==94913== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==94913== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==94913== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==94913== by 0x547A3F: ??? (in /usr/bin/python3.6) ==94913== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==94913== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==94913== by 0x4F8388: ??? (in /usr/bin/python3.6) ==94913== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==94913== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==94913== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==94913== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==94913== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==94913== Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 Potential info: a magnetic interatomic potential for alpha iron Atomic number: 26 ==94913== ==94913== HEAP SUMMARY: ==94913== in use at exit: 2,764,995 bytes in 1,647 blocks ==94913== total heap usage: 36,138 allocs, 34,491 frees, 61,271,797 bytes allocated ==94913== ==94913== LEAK SUMMARY: ==94913== definitely lost: 0 bytes in 0 blocks ==94913== indirectly lost: 0 bytes in 0 blocks ==94913== possibly lost: 146,155 bytes in 87 blocks ==94913== still reachable: 2,618,840 bytes in 1,560 blocks ==94913== suppressed: 0 bytes in 0 blocks ==94913== Rerun with --leak-check=full to see details of leaked memory ==94913== ==94913== For counts of detected and suppressed errors, rerun with: -v ==94913== Use --track-origins=yes to see where uninitialised values come from ==94913== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12396 from 655) ================================================================================ 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.