!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : Sim_LAMMPS_MEAM_FernandezPascuet_2014_U__SM_176800861722_000 Supported species : U random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = U (Configuration in file "config-F-U.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1139.706711948005 Forces: 1 -1.81352621e+01 -6.98648266e+01 -7.65543305e+01 2 -6.93647385e+01 1.02656197e+02 -3.18841225e+01 3 4.29034143e+01 -6.19008657e+01 -3.40589225e+01 4 -5.75380699e+01 5.14113431e+01 3.68225658e+01 5 5.66471658e+01 -1.37178811e+02 -2.64629382e+01 6 5.07488425e+01 1.16125996e+01 -5.18471112e+01 7 4.95049811e+00 -2.21314322e+02 -2.52129817e+02 8 -1.37877581e+02 -7.69459722e+01 4.35881293e+01 9 -3.34972922e+01 -6.34888237e+01 -8.29522953e+01 10 -1.21707436e+02 1.22706131e+02 -2.42940172e+02 11 3.29369251e+02 -1.59238567e+02 -3.19780854e+02 12 -8.86406596e+01 1.08405842e+02 2.51182218e+01 13 -1.34632114e+02 -6.45153686e+00 -3.02599338e+02 14 4.99330433e+01 5.26779417e+01 -6.03710207e+01 15 2.61571338e+02 -7.23675940e+01 1.38191660e+02 16 1.08091944e+02 6.12684636e+01 1.83980915e+02 17 -1.15792597e+02 -6.36181531e+01 -4.60218984e+01 18 6.88016701e+01 9.01905886e+01 -3.46265397e+01 19 3.84630927e+01 -9.79202984e+01 9.01717312e+01 20 -5.46152216e+01 6.52147603e+01 7.18239749e+01 21 -1.27997625e+02 -1.13776112e+02 5.13414333e+01 22 2.01482955e+02 2.31758284e+02 1.85374040e+02 23 6.26442673e+01 -3.11037531e+01 5.29960487e+01 24 -7.06825249e+00 5.51287456e+01 4.98988926e+01 25 -3.48399787e+02 3.22532509e+01 3.18883938e+02 26 -1.12540370e+01 1.21729221e+02 -4.52900074e+01 27 1.56444109e+02 -2.92710275e+02 6.40349134e+01 28 -2.85578856e+02 2.51213278e+02 9.72199550e+01 29 -9.75704873e+01 -1.06810463e+02 -1.45346631e+02 30 5.93363088e+01 1.27366062e+02 8.54162802e+01 31 1.86985475e+02 -3.92014690e+01 1.28066467e+02 32 3.12966429e+01 1.28299133e+02 1.29936833e+02 MONOATOMIC STRUCTURE (pbc=True)-- Species = U (Configuration in file "config-T-U.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1139.706711948005 Forces: 1 -1.81352621e+01 -6.98648266e+01 -7.65543305e+01 2 -6.93647385e+01 1.02656197e+02 -3.18841225e+01 3 4.29034143e+01 -6.19008657e+01 -3.40589225e+01 4 -5.75380699e+01 5.14113431e+01 3.68225658e+01 5 5.66471658e+01 -1.37178811e+02 -2.64629382e+01 6 5.07488425e+01 1.16125996e+01 -5.18471112e+01 7 4.95049811e+00 -2.21314322e+02 -2.52129817e+02 8 -1.37877581e+02 -7.69459722e+01 4.35881293e+01 9 -3.34972922e+01 -6.34888237e+01 -8.29522953e+01 10 -1.21707436e+02 1.22706131e+02 -2.42940172e+02 11 3.29369251e+02 -1.59238567e+02 -3.19780854e+02 12 -8.86406596e+01 1.08405842e+02 2.51182218e+01 13 -1.34632114e+02 -6.45153686e+00 -3.02599338e+02 14 4.99330433e+01 5.26779417e+01 -6.03710207e+01 15 2.61571338e+02 -7.23675940e+01 1.38191660e+02 16 1.08091944e+02 6.12684636e+01 1.83980915e+02 17 -1.15792597e+02 -6.36181531e+01 -4.60218984e+01 18 6.88016701e+01 9.01905886e+01 -3.46265397e+01 19 3.84630927e+01 -9.79202984e+01 9.01717312e+01 20 -5.46152216e+01 6.52147603e+01 7.18239749e+01 21 -1.27997625e+02 -1.13776112e+02 5.13414333e+01 22 2.01482955e+02 2.31758284e+02 1.85374040e+02 23 6.26442673e+01 -3.11037531e+01 5.29960487e+01 24 -7.06825249e+00 5.51287456e+01 4.98988926e+01 25 -3.48399787e+02 3.22532509e+01 3.18883938e+02 26 -1.12540370e+01 1.21729221e+02 -4.52900074e+01 27 1.56444109e+02 -2.92710275e+02 6.40349134e+01 28 -2.85578856e+02 2.51213278e+02 9.72199550e+01 29 -9.75704873e+01 -1.06810463e+02 -1.45346631e+02 30 5.93363088e+01 1.27366062e+02 8.54162802e+01 31 1.86985475e+02 -3.92014690e+01 1.28066467e+02 32 3.12966429e+01 1.28299133e+02 1.29936833e+02 ================================================================================ VALGRIND OUTPUT ================================================================================ ==4689== Memcheck, a memory error detector ==4689== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==4689== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==4689== Command: python runner2.py Sim_LAMMPS_MEAM_FernandezPascuet_2014_U__SM_176800861722_000 ==4689== ==4689== Conditional jump or move depends on uninitialised value(s) ==4689== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==4689== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==4689== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==4689== by 0x547A3F: ??? (in /usr/bin/python3.6) ==4689== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==4689== by 0x5BA640: ??? (in /usr/bin/python3.6) ==4689== by 0x551B80: ??? (in /usr/bin/python3.6) ==4689== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==4689== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==4689== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==4689== by 0x509D47: ??? (in /usr/bin/python3.6) ==4689== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==4689== ==4689== Conditional jump or move depends on uninitialised value(s) ==4689== at 0x4E63408: internal_utf8_loop (loop.c:298) ==4689== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==4689== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==4689== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==4689== by 0x547A3F: ??? (in /usr/bin/python3.6) ==4689== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==4689== by 0x5BA640: ??? (in /usr/bin/python3.6) ==4689== by 0x551B80: ??? (in /usr/bin/python3.6) ==4689== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==4689== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==4689== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==4689== by 0x509D47: ??? (in /usr/bin/python3.6) ==4689== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==4689== ==4689== Conditional jump or move depends on uninitialised value(s) ==4689== at 0x4E63411: internal_utf8_loop (loop.c:303) ==4689== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==4689== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==4689== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==4689== by 0x547A3F: ??? (in /usr/bin/python3.6) ==4689== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==4689== by 0x5BA640: ??? (in /usr/bin/python3.6) ==4689== by 0x551B80: ??? (in /usr/bin/python3.6) ==4689== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==4689== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==4689== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==4689== by 0x509D47: ??? (in /usr/bin/python3.6) ==4689== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==4689== ==4689== Conditional jump or move depends on uninitialised value(s) ==4689== at 0x4E63458: internal_utf8_loop (loop.c:298) ==4689== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==4689== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==4689== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==4689== by 0x547A3F: ??? (in /usr/bin/python3.6) ==4689== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==4689== by 0x5BA640: ??? (in /usr/bin/python3.6) ==4689== by 0x551B80: ??? (in /usr/bin/python3.6) ==4689== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==4689== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==4689== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==4689== by 0x509D47: ??? (in /usr/bin/python3.6) ==4689== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==4689== ==4689== Conditional jump or move depends on uninitialised value(s) ==4689== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==4689== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==4689== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==4689== by 0x547A3F: ??? (in /usr/bin/python3.6) ==4689== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==4689== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==4689== by 0x4F8388: ??? (in /usr/bin/python3.6) ==4689== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==4689== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==4689== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==4689== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==4689== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==4689== --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4689-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 ==4689== ==4689== HEAP SUMMARY: ==4689== in use at exit: 3,062,461 bytes in 1,951 blocks ==4689== total heap usage: 46,841 allocs, 44,890 frees, 93,068,309 bytes allocated ==4689== ==4689== LEAK SUMMARY: ==4689== definitely lost: 0 bytes in 0 blocks ==4689== indirectly lost: 0 bytes in 0 blocks ==4689== possibly lost: 151,315 bytes in 96 blocks ==4689== still reachable: 2,911,146 bytes in 1,855 blocks ==4689== suppressed: 0 bytes in 0 blocks ==4689== Rerun with --leak-check=full to see details of leaked memory ==4689== ==4689== For counts of detected and suppressed errors, rerun with: -v ==4689== Use --track-origins=yes to see where uninitialised values come from ==4689== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12303 from 661) ================================================================================ 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.