!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_DerletNguyenDudarev_2007_V__MO_683890323730_002 Supported species : V random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = V (Configuration in file "config-F-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = 21.747797332613345 Forces: 1 -1.01958612e+01 -8.39987612e+00 -1.24497832e+01 2 -3.55964804e+00 1.14463883e+01 -1.52392058e+01 3 -2.89194404e+00 -1.58310382e+01 9.34431483e+00 4 -1.05518543e+01 5.63992073e+00 5.38955471e+00 5 1.41080982e+01 -1.55158682e+01 -9.90297331e+00 6 5.78836262e+00 2.83946283e+00 -8.58959113e+00 7 1.23604528e+01 -2.76624760e+01 -2.28150919e+01 8 -7.57259864e+00 -6.29647701e+00 -1.60447657e+01 9 -1.53155927e+01 -8.18038726e+00 -2.20490364e+01 10 -6.69943458e+00 2.92023752e+01 -2.60419205e+01 11 -1.50796725e+01 -2.01818688e+01 1.38788253e+01 12 -1.57768532e+01 1.57295028e+01 7.29550875e+00 13 2.13704979e+00 -2.11386093e+01 -4.51260717e+01 14 1.15985401e+01 1.53822230e+01 -1.15309324e+01 15 4.24545138e+01 -1.13325162e+01 8.52716051e+00 16 6.57605843e+00 4.09496421e+01 1.61936390e+01 17 -9.31487745e+00 -5.18811702e+00 3.16219438e-02 18 -1.23935391e+01 3.26041941e+00 9.69590637e+00 19 2.53033469e+00 -6.96932174e+00 7.80952327e+00 20 -4.71845636e+00 3.49680010e+00 4.29690577e+00 21 -1.04521600e+01 -1.87019516e+01 1.34246856e+01 22 2.96067445e+01 1.78191337e+01 1.84807556e+01 23 3.07658059e+00 -2.16247774e+00 7.08010147e+00 24 -7.42550573e-01 -5.72704904e+00 8.90073267e+00 25 -1.56851786e+01 -9.69534559e+00 -2.95054264e+00 26 -7.19401146e+00 2.52424377e+01 -9.80142246e+00 27 3.12309781e+00 -2.62317681e+01 1.83876477e+01 28 -2.34650314e+01 1.92155358e+01 9.62410704e+00 29 -2.91595660e+00 -4.26243080e+00 1.06286779e+01 30 1.16716917e+01 1.29608898e+01 -1.86219374e+00 31 2.02609323e+01 -8.38014177e+00 1.53388446e+01 32 9.23276338e+00 1.86729889e+01 2.00750178e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = V (Configuration in file "config-T-V.xyz") ----------------------------------------------------------------------------------------------------- Energy = 21.747797332613345 Forces: 1 -1.01958612e+01 -8.39987612e+00 -1.24497832e+01 2 -3.55964804e+00 1.14463883e+01 -1.52392058e+01 3 -2.89194404e+00 -1.58310382e+01 9.34431483e+00 4 -1.05518543e+01 5.63992073e+00 5.38955471e+00 5 1.41080982e+01 -1.55158682e+01 -9.90297331e+00 6 5.78836262e+00 2.83946283e+00 -8.58959113e+00 7 1.23604528e+01 -2.76624760e+01 -2.28150919e+01 8 -7.57259864e+00 -6.29647701e+00 -1.60447657e+01 9 -1.53155927e+01 -8.18038726e+00 -2.20490364e+01 10 -6.69943458e+00 2.92023752e+01 -2.60419205e+01 11 -1.50796725e+01 -2.01818688e+01 1.38788253e+01 12 -1.57768532e+01 1.57295028e+01 7.29550875e+00 13 2.13704979e+00 -2.11386093e+01 -4.51260717e+01 14 1.15985401e+01 1.53822230e+01 -1.15309324e+01 15 4.24545138e+01 -1.13325162e+01 8.52716051e+00 16 6.57605843e+00 4.09496421e+01 1.61936390e+01 17 -9.31487745e+00 -5.18811702e+00 3.16219438e-02 18 -1.23935391e+01 3.26041941e+00 9.69590637e+00 19 2.53033469e+00 -6.96932174e+00 7.80952327e+00 20 -4.71845636e+00 3.49680010e+00 4.29690577e+00 21 -1.04521600e+01 -1.87019516e+01 1.34246856e+01 22 2.96067445e+01 1.78191337e+01 1.84807556e+01 23 3.07658059e+00 -2.16247774e+00 7.08010147e+00 24 -7.42550573e-01 -5.72704904e+00 8.90073267e+00 25 -1.56851786e+01 -9.69534559e+00 -2.95054264e+00 26 -7.19401146e+00 2.52424377e+01 -9.80142246e+00 27 3.12309781e+00 -2.62317681e+01 1.83876477e+01 28 -2.34650314e+01 1.92155358e+01 9.62410704e+00 29 -2.91595660e+00 -4.26243080e+00 1.06286779e+01 30 1.16716917e+01 1.29608898e+01 -1.86219374e+00 31 2.02609323e+01 -8.38014177e+00 1.53388446e+01 32 9.23276338e+00 1.86729889e+01 2.00750178e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==94845== Memcheck, a memory error detector ==94845== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==94845== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==94845== Command: python runner2.py EAM_MagneticCubic_DerletNguyenDudarev_2007_V__MO_683890323730_002 ==94845== ==94845== Conditional jump or move depends on uninitialised value(s) ==94845== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==94845== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==94845== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==94845== by 0x547A3F: ??? (in /usr/bin/python3.6) ==94845== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==94845== by 0x5BA640: ??? (in /usr/bin/python3.6) ==94845== by 0x551B80: ??? (in /usr/bin/python3.6) ==94845== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==94845== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==94845== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==94845== by 0x509D47: ??? (in /usr/bin/python3.6) ==94845== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==94845== ==94845== Conditional jump or move depends on uninitialised value(s) ==94845== at 0x4E63408: internal_utf8_loop (loop.c:298) ==94845== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==94845== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==94845== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==94845== by 0x547A3F: ??? (in /usr/bin/python3.6) ==94845== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==94845== by 0x5BA640: ??? (in /usr/bin/python3.6) ==94845== by 0x551B80: ??? (in /usr/bin/python3.6) ==94845== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==94845== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==94845== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==94845== by 0x509D47: ??? (in /usr/bin/python3.6) ==94845== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==94845== ==94845== Conditional jump or move depends on uninitialised value(s) ==94845== at 0x4E63411: internal_utf8_loop (loop.c:303) ==94845== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==94845== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==94845== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==94845== by 0x547A3F: ??? (in /usr/bin/python3.6) ==94845== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==94845== by 0x5BA640: ??? (in /usr/bin/python3.6) ==94845== by 0x551B80: ??? (in /usr/bin/python3.6) ==94845== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==94845== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==94845== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==94845== by 0x509D47: ??? (in /usr/bin/python3.6) ==94845== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==94845== ==94845== Conditional jump or move depends on uninitialised value(s) ==94845== at 0x4E63458: internal_utf8_loop (loop.c:298) ==94845== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==94845== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==94845== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==94845== by 0x547A3F: ??? (in /usr/bin/python3.6) ==94845== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==94845== by 0x5BA640: ??? (in /usr/bin/python3.6) ==94845== by 0x551B80: ??? (in /usr/bin/python3.6) ==94845== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==94845== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==94845== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==94845== by 0x509D47: ??? (in /usr/bin/python3.6) ==94845== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==94845== ==94845== Conditional jump or move depends on uninitialised value(s) ==94845== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==94845== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==94845== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==94845== by 0x547A3F: ??? (in /usr/bin/python3.6) ==94845== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==94845== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==94845== by 0x4F8388: ??? (in /usr/bin/python3.6) ==94845== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==94845== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==94845== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==94845== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==94845== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==94845== Potential info: V potential Atomic number: 23 Potential info: V potential Atomic number: 23 Potential info: V potential Atomic number: 23 Potential info: V potential Atomic number: 23 ==94845== ==94845== HEAP SUMMARY: ==94845== in use at exit: 2,764,995 bytes in 1,647 blocks ==94845== total heap usage: 36,146 allocs, 34,499 frees, 61,275,508 bytes allocated ==94845== ==94845== LEAK SUMMARY: ==94845== definitely lost: 0 bytes in 0 blocks ==94845== indirectly lost: 0 bytes in 0 blocks ==94845== possibly lost: 146,155 bytes in 87 blocks ==94845== still reachable: 2,618,840 bytes in 1,560 blocks ==94845== suppressed: 0 bytes in 0 blocks ==94845== Rerun with --leak-check=full to see details of leaked memory ==94845== ==94845== For counts of detected and suppressed errors, rerun with: -v ==94845== Use --track-origins=yes to see where uninitialised values come from ==94845== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12383 from 659) ================================================================================ 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.