!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Au__MO_017524376569_001 Supported species : Au random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Au (Configuration in file "config-F-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 418.38461628000897 Forces: 1 -1.46302705e+01 -3.19907412e+01 -3.26154531e+01 2 -1.92504208e+01 2.55452944e+01 -2.72356575e+01 3 1.32972112e+01 -2.01466828e+01 -2.94435932e+00 4 -2.03609331e+01 2.29585515e+01 1.85075130e+01 5 4.26560988e+00 -5.23942289e+01 -1.36417634e+01 6 2.86341252e+01 1.70432512e+01 -3.16542037e+01 7 2.55377993e+01 -1.03298556e+02 -8.32269525e+01 8 -5.05578914e+01 -3.71133212e+01 -6.45147250e+00 9 -2.50755819e+01 -5.03148618e+01 -7.40266789e+01 10 -8.07515314e+00 6.06542104e+01 -6.92357452e+01 11 -2.36680834e+01 -4.60573899e+01 2.49054675e+01 12 -4.64695941e+01 5.89103878e+01 4.67328415e+01 13 -2.77575564e+01 -4.54349265e+01 -1.38926878e+02 14 2.79757341e+01 3.52197380e+01 -2.56164802e+01 15 1.20954122e+02 -3.48645064e+01 2.11392534e+01 16 1.55288153e+01 9.96311679e+01 4.51321448e+01 17 -6.35602693e+01 -4.43211436e+01 -2.20649195e+01 18 4.80136921e+01 6.18262949e+01 -5.85521173e+01 19 2.15902518e+01 -7.36773741e+01 4.59757688e+01 20 -5.22013061e+01 2.45068519e+01 5.95948138e+01 21 -4.28623124e+01 -3.49707509e+01 2.34886940e+01 22 7.09659564e+01 7.91822140e+01 7.99478020e+01 23 1.67378347e+01 -7.65249360e+00 2.24252510e+01 24 1.82580109e+01 1.64074217e+01 2.55876542e+01 25 -4.71371659e+01 -1.51295032e+01 -1.63005952e+01 26 -1.98976026e+01 6.82133794e+01 -3.26956212e+01 27 5.23570541e+01 -1.10982308e+02 4.94930015e+01 28 -9.89538149e+01 8.95824649e+01 2.49548348e+01 29 -2.52282751e+01 -3.41078691e+01 2.82344355e+01 30 3.56633121e+01 5.60978518e+01 2.91139656e+01 31 5.49517534e+01 -2.37998983e+01 3.68264901e+01 32 3.09549487e+01 5.04774756e+01 5.31289657e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Au (Configuration in file "config-T-Au.xyz") ----------------------------------------------------------------------------------------------------- Energy = 418.38461628000897 Forces: 1 -1.46302705e+01 -3.19907412e+01 -3.26154531e+01 2 -1.92504208e+01 2.55452944e+01 -2.72356575e+01 3 1.32972112e+01 -2.01466828e+01 -2.94435932e+00 4 -2.03609331e+01 2.29585515e+01 1.85075130e+01 5 4.26560988e+00 -5.23942289e+01 -1.36417634e+01 6 2.86341252e+01 1.70432512e+01 -3.16542037e+01 7 2.55377993e+01 -1.03298556e+02 -8.32269525e+01 8 -5.05578914e+01 -3.71133212e+01 -6.45147250e+00 9 -2.50755819e+01 -5.03148618e+01 -7.40266789e+01 10 -8.07515314e+00 6.06542104e+01 -6.92357452e+01 11 -2.36680834e+01 -4.60573899e+01 2.49054675e+01 12 -4.64695941e+01 5.89103878e+01 4.67328415e+01 13 -2.77575564e+01 -4.54349265e+01 -1.38926878e+02 14 2.79757341e+01 3.52197380e+01 -2.56164802e+01 15 1.20954122e+02 -3.48645064e+01 2.11392534e+01 16 1.55288153e+01 9.96311679e+01 4.51321448e+01 17 -6.35602693e+01 -4.43211436e+01 -2.20649195e+01 18 4.80136921e+01 6.18262949e+01 -5.85521173e+01 19 2.15902518e+01 -7.36773741e+01 4.59757688e+01 20 -5.22013061e+01 2.45068519e+01 5.95948138e+01 21 -4.28623124e+01 -3.49707509e+01 2.34886940e+01 22 7.09659564e+01 7.91822140e+01 7.99478020e+01 23 1.67378347e+01 -7.65249360e+00 2.24252510e+01 24 1.82580109e+01 1.64074217e+01 2.55876542e+01 25 -4.71371659e+01 -1.51295032e+01 -1.63005952e+01 26 -1.98976026e+01 6.82133794e+01 -3.26956212e+01 27 5.23570541e+01 -1.10982308e+02 4.94930015e+01 28 -9.89538149e+01 8.95824649e+01 2.49548348e+01 29 -2.52282751e+01 -3.41078691e+01 2.82344355e+01 30 3.56633121e+01 5.60978518e+01 2.91139656e+01 31 5.49517534e+01 -2.37998983e+01 3.68264901e+01 32 3.09549487e+01 5.04774756e+01 5.31289657e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==95677== Memcheck, a memory error detector ==95677== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==95677== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==95677== Command: python runner2.py EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Au__MO_017524376569_001 ==95677== ==95677== Conditional jump or move depends on uninitialised value(s) ==95677== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==95677== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==95677== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95677== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95677== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95677== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95677== by 0x551B80: ??? (in /usr/bin/python3.6) ==95677== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95677== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95677== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95677== by 0x509D47: ??? (in /usr/bin/python3.6) ==95677== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95677== ==95677== Conditional jump or move depends on uninitialised value(s) ==95677== at 0x4E63408: internal_utf8_loop (loop.c:298) ==95677== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==95677== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==95677== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95677== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95677== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95677== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95677== by 0x551B80: ??? (in /usr/bin/python3.6) ==95677== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95677== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95677== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95677== by 0x509D47: ??? (in /usr/bin/python3.6) ==95677== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95677== ==95677== Conditional jump or move depends on uninitialised value(s) ==95677== at 0x4E63411: internal_utf8_loop (loop.c:303) ==95677== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==95677== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==95677== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95677== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95677== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95677== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95677== by 0x551B80: ??? (in /usr/bin/python3.6) ==95677== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95677== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95677== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95677== by 0x509D47: ??? (in /usr/bin/python3.6) ==95677== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95677== ==95677== Conditional jump or move depends on uninitialised value(s) ==95677== at 0x4E63458: internal_utf8_loop (loop.c:298) ==95677== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==95677== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==95677== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95677== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95677== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95677== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95677== by 0x551B80: ??? (in /usr/bin/python3.6) ==95677== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95677== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95677== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95677== by 0x509D47: ??? (in /usr/bin/python3.6) ==95677== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95677== ==95677== Conditional jump or move depends on uninitialised value(s) ==95677== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==95677== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==95677== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95677== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95677== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==95677== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==95677== by 0x4F8388: ??? (in /usr/bin/python3.6) ==95677== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==95677== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==95677== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==95677== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==95677== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95677== ==95677== ==95677== HEAP SUMMARY: ==95677== in use at exit: 2,764,995 bytes in 1,647 blocks ==95677== total heap usage: 35,999 allocs, 34,352 frees, 62,556,055 bytes allocated ==95677== ==95677== LEAK SUMMARY: ==95677== definitely lost: 0 bytes in 0 blocks ==95677== indirectly lost: 0 bytes in 0 blocks ==95677== possibly lost: 146,155 bytes in 87 blocks ==95677== still reachable: 2,618,840 bytes in 1,560 blocks ==95677== suppressed: 0 bytes in 0 blocks ==95677== Rerun with --leak-check=full to see details of leaked memory ==95677== ==95677== For counts of detected and suppressed errors, rerun with: -v ==95677== Use --track-origins=yes to see where uninitialised values come from ==95677== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 11185 from 673) ================================================================================ 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.