!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Cu__MO_396616545191_001 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.914786019564755 Forces: 1 -4.50441708e+00 -7.78775591e+00 -8.22137185e+00 2 -5.50015283e+00 1.07658664e+01 -3.29403908e+00 3 6.71461420e+00 -9.11219826e+00 -4.64537790e+00 4 -9.19627900e+00 3.40835570e+00 4.96729638e+00 5 2.11684377e+00 -1.49992564e+01 6.24600487e-02 6 7.06782530e+00 6.55119769e+00 -5.05579374e+00 7 3.21451724e+00 -2.81409167e+01 -2.81179478e+01 8 -1.50361956e+01 -8.13548649e+00 -5.95074022e+00 9 -7.95557499e+00 -7.21552263e+00 -1.63356075e+01 10 -4.34242001e+00 1.19666836e+01 -1.50590767e+01 11 1.16881664e+01 -4.58150236e+00 7.36620849e+00 12 -8.62588814e+00 1.08560157e+01 7.20101281e+00 13 -1.37811470e+01 -1.46791042e+01 -3.27593181e+01 14 5.75039330e+00 8.09187762e+00 -4.64041824e+00 15 3.17745794e+01 -4.76860398e+00 1.19000520e+01 16 3.17240403e+00 1.98114355e+01 1.41511279e+01 17 -1.21313324e+01 -5.70392961e+00 -4.69289753e+00 18 3.65211892e+00 1.03653637e+01 9.43699674e-01 19 3.49290562e+00 -1.30107193e+01 6.11500650e+00 20 -4.34612436e+00 7.30824354e+00 6.14539582e+00 21 -1.12892665e+01 -8.00024968e+00 7.79107967e+00 22 1.79777760e+01 2.53103354e+01 2.00210912e+01 23 2.57207613e+00 -1.51640953e+00 7.41685518e+00 24 5.48344995e+00 6.37761091e+00 4.74535756e+00 25 -1.36139742e+01 -1.03418324e+01 -1.23289994e+01 26 -4.49296239e+00 1.53339025e+01 -1.02255097e+01 27 2.11731528e+01 -3.25954871e+01 1.50948122e+01 28 -2.75147407e+01 2.86639748e+01 9.10825239e+00 29 -8.61599765e+00 -6.63854530e+00 6.03007954e+00 30 5.46538899e+00 1.11444886e+01 -1.20409999e+00 31 1.23101488e+01 -1.07535694e+01 1.11393565e+01 32 7.32011198e+00 1.20257377e+01 1.23320538e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = 7.914786019564755 Forces: 1 -4.50441708e+00 -7.78775591e+00 -8.22137185e+00 2 -5.50015283e+00 1.07658664e+01 -3.29403908e+00 3 6.71461420e+00 -9.11219826e+00 -4.64537790e+00 4 -9.19627900e+00 3.40835570e+00 4.96729638e+00 5 2.11684377e+00 -1.49992564e+01 6.24600487e-02 6 7.06782530e+00 6.55119769e+00 -5.05579374e+00 7 3.21451724e+00 -2.81409167e+01 -2.81179478e+01 8 -1.50361956e+01 -8.13548649e+00 -5.95074022e+00 9 -7.95557499e+00 -7.21552263e+00 -1.63356075e+01 10 -4.34242001e+00 1.19666836e+01 -1.50590767e+01 11 1.16881664e+01 -4.58150236e+00 7.36620849e+00 12 -8.62588814e+00 1.08560157e+01 7.20101281e+00 13 -1.37811470e+01 -1.46791042e+01 -3.27593181e+01 14 5.75039330e+00 8.09187762e+00 -4.64041824e+00 15 3.17745794e+01 -4.76860398e+00 1.19000520e+01 16 3.17240403e+00 1.98114355e+01 1.41511279e+01 17 -1.21313324e+01 -5.70392961e+00 -4.69289753e+00 18 3.65211892e+00 1.03653637e+01 9.43699674e-01 19 3.49290562e+00 -1.30107193e+01 6.11500650e+00 20 -4.34612436e+00 7.30824354e+00 6.14539582e+00 21 -1.12892665e+01 -8.00024968e+00 7.79107967e+00 22 1.79777760e+01 2.53103354e+01 2.00210912e+01 23 2.57207613e+00 -1.51640953e+00 7.41685518e+00 24 5.48344995e+00 6.37761091e+00 4.74535756e+00 25 -1.36139742e+01 -1.03418324e+01 -1.23289994e+01 26 -4.49296239e+00 1.53339025e+01 -1.02255097e+01 27 2.11731528e+01 -3.25954871e+01 1.50948122e+01 28 -2.75147407e+01 2.86639748e+01 9.10825239e+00 29 -8.61599765e+00 -6.63854530e+00 6.03007954e+00 30 5.46538899e+00 1.11444886e+01 -1.20409999e+00 31 1.23101488e+01 -1.07535694e+01 1.11393565e+01 32 7.32011198e+00 1.20257377e+01 1.23320538e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==95707== Memcheck, a memory error detector ==95707== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==95707== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==95707== Command: python runner2.py EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Cu__MO_396616545191_001 ==95707== ==95707== Conditional jump or move depends on uninitialised value(s) ==95707== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==95707== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==95707== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95707== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95707== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95707== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95707== by 0x551B80: ??? (in /usr/bin/python3.6) ==95707== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95707== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95707== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95707== by 0x509D47: ??? (in /usr/bin/python3.6) ==95707== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95707== ==95707== Conditional jump or move depends on uninitialised value(s) ==95707== at 0x4E63408: internal_utf8_loop (loop.c:298) ==95707== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==95707== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==95707== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95707== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95707== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95707== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95707== by 0x551B80: ??? (in /usr/bin/python3.6) ==95707== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95707== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95707== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95707== by 0x509D47: ??? (in /usr/bin/python3.6) ==95707== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95707== ==95707== Conditional jump or move depends on uninitialised value(s) ==95707== at 0x4E63411: internal_utf8_loop (loop.c:303) ==95707== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==95707== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==95707== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95707== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95707== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95707== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95707== by 0x551B80: ??? (in /usr/bin/python3.6) ==95707== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95707== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95707== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95707== by 0x509D47: ??? (in /usr/bin/python3.6) ==95707== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95707== ==95707== Conditional jump or move depends on uninitialised value(s) ==95707== at 0x4E63458: internal_utf8_loop (loop.c:298) ==95707== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==95707== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==95707== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95707== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95707== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95707== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95707== by 0x551B80: ??? (in /usr/bin/python3.6) ==95707== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95707== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95707== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95707== by 0x509D47: ??? (in /usr/bin/python3.6) ==95707== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95707== ==95707== Conditional jump or move depends on uninitialised value(s) ==95707== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==95707== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==95707== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95707== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95707== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==95707== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==95707== by 0x4F8388: ??? (in /usr/bin/python3.6) ==95707== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==95707== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==95707== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==95707== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==95707== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95707== ==95707== ==95707== HEAP SUMMARY: ==95707== in use at exit: 2,764,995 bytes in 1,647 blocks ==95707== total heap usage: 35,999 allocs, 34,352 frees, 62,555,631 bytes allocated ==95707== ==95707== LEAK SUMMARY: ==95707== definitely lost: 0 bytes in 0 blocks ==95707== indirectly lost: 0 bytes in 0 blocks ==95707== possibly lost: 146,155 bytes in 87 blocks ==95707== still reachable: 2,618,840 bytes in 1,560 blocks ==95707== suppressed: 0 bytes in 0 blocks ==95707== Rerun with --leak-check=full to see details of leaked memory ==95707== ==95707== For counts of detected and suppressed errors, rerun with: -v ==95707== Use --track-origins=yes to see where uninitialised values come from ==95707== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 11175 from 666) ================================================================================ 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.