!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_SMTBQ_SallesPolitanoAmzallag_2016_Al__SM_404097633924_000 Supported species : Al random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Al (Configuration in file "config-F-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 97.00065493354583 Forces: 1 -5.70048871e+00 -1.01788367e+01 -1.05623667e+01 2 -9.71816626e+00 1.45643635e+01 -1.44715871e+01 3 -1.55269598e+00 -1.54479365e+01 -1.62108525e+00 4 -9.22604778e+00 4.47888618e+00 4.83810106e+00 5 1.41172604e+01 -2.28475052e+01 -5.66314983e+00 6 5.89100782e+00 1.16345122e+00 -9.19656981e+00 7 9.03115220e+00 -3.20844841e+01 -2.77778298e+01 8 -9.17523627e+00 -1.15702204e+01 -5.51320528e+00 9 -1.23089292e+01 -1.62826126e+01 -2.83919260e+01 10 -1.45033046e+00 2.47013799e+01 -2.48217255e+01 11 -4.94742879e+00 -1.65874715e+01 9.79930762e+00 12 -1.80737458e+01 2.35090654e+01 1.23776482e+01 13 -4.09369238e+00 -1.22980374e+01 -4.72029267e+01 14 1.01251282e+01 1.22350863e+01 -8.51658290e+00 15 4.25372140e+01 -4.70119289e+00 9.45721947e+00 16 5.22697258e+00 3.49368768e+01 1.45391206e+01 17 -1.41262819e+01 -6.95219389e+00 -4.70820881e+00 18 -7.54726748e+00 8.77790527e+00 7.16956949e+00 19 5.75540254e+00 -1.21001259e+01 9.62424797e+00 20 -6.54965329e+00 8.42370613e+00 7.70139805e+00 21 -1.01320665e+01 -1.56307770e+01 9.78330049e+00 22 2.33823676e+01 2.29073532e+01 2.21855065e+01 23 5.29880225e+00 -2.61635627e+00 8.70123543e+00 24 3.01259248e+00 4.72517822e-01 8.99203352e+00 25 -1.37287183e+01 -3.89849531e+00 9.31415099e+00 26 -8.49150008e+00 2.25904886e+01 -9.54713106e+00 27 8.71155304e+00 -3.24380741e+01 1.30571744e+01 28 -2.87728128e+01 2.33864800e+01 5.56035338e+00 29 -7.04949196e+00 -1.05578885e+01 8.90721390e+00 30 1.16353694e+01 1.68335416e+01 1.51979044e+00 31 1.81855979e+01 -1.00661351e+01 1.56631929e+01 32 9.73413345e+00 1.72772414e+01 1.88037303e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 97.00065493354583 Forces: 1 -5.70048871e+00 -1.01788367e+01 -1.05623667e+01 2 -9.71816626e+00 1.45643635e+01 -1.44715871e+01 3 -1.55269598e+00 -1.54479365e+01 -1.62108525e+00 4 -9.22604778e+00 4.47888618e+00 4.83810106e+00 5 1.41172604e+01 -2.28475052e+01 -5.66314983e+00 6 5.89100782e+00 1.16345122e+00 -9.19656981e+00 7 9.03115220e+00 -3.20844841e+01 -2.77778298e+01 8 -9.17523627e+00 -1.15702204e+01 -5.51320528e+00 9 -1.23089292e+01 -1.62826126e+01 -2.83919260e+01 10 -1.45033046e+00 2.47013799e+01 -2.48217255e+01 11 -4.94742879e+00 -1.65874715e+01 9.79930762e+00 12 -1.80737458e+01 2.35090654e+01 1.23776482e+01 13 -4.09369238e+00 -1.22980374e+01 -4.72029267e+01 14 1.01251282e+01 1.22350863e+01 -8.51658290e+00 15 4.25372140e+01 -4.70119289e+00 9.45721947e+00 16 5.22697258e+00 3.49368768e+01 1.45391206e+01 17 -1.41262819e+01 -6.95219389e+00 -4.70820881e+00 18 -7.54726748e+00 8.77790527e+00 7.16956949e+00 19 5.75540254e+00 -1.21001259e+01 9.62424797e+00 20 -6.54965329e+00 8.42370613e+00 7.70139805e+00 21 -1.01320665e+01 -1.56307770e+01 9.78330049e+00 22 2.33823676e+01 2.29073532e+01 2.21855065e+01 23 5.29880225e+00 -2.61635627e+00 8.70123543e+00 24 3.01259248e+00 4.72517822e-01 8.99203352e+00 25 -1.37287183e+01 -3.89849531e+00 9.31415099e+00 26 -8.49150008e+00 2.25904886e+01 -9.54713106e+00 27 8.71155304e+00 -3.24380741e+01 1.30571744e+01 28 -2.87728128e+01 2.33864800e+01 5.56035338e+00 29 -7.04949196e+00 -1.05578885e+01 8.90721390e+00 30 1.16353694e+01 1.68335416e+01 1.51979044e+00 31 1.81855979e+01 -1.00661351e+01 1.56631929e+01 32 9.73413345e+00 1.72772414e+01 1.88037303e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==6715== Memcheck, a memory error detector ==6715== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==6715== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==6715== Command: python runner2.py Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_Al__SM_404097633924_000 ==6715== ==6715== Conditional jump or move depends on uninitialised value(s) ==6715== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==6715== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==6715== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==6715== by 0x547A3F: ??? (in /usr/bin/python3.6) ==6715== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==6715== by 0x5BA640: ??? (in /usr/bin/python3.6) ==6715== by 0x551B80: ??? (in /usr/bin/python3.6) ==6715== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==6715== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==6715== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==6715== by 0x509D47: ??? (in /usr/bin/python3.6) ==6715== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==6715== ==6715== Conditional jump or move depends on uninitialised value(s) ==6715== at 0x4E63408: internal_utf8_loop (loop.c:298) ==6715== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==6715== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==6715== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==6715== by 0x547A3F: ??? (in /usr/bin/python3.6) ==6715== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==6715== by 0x5BA640: ??? (in /usr/bin/python3.6) ==6715== by 0x551B80: ??? (in /usr/bin/python3.6) ==6715== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==6715== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==6715== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==6715== by 0x509D47: ??? (in /usr/bin/python3.6) ==6715== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==6715== ==6715== Conditional jump or move depends on uninitialised value(s) ==6715== at 0x4E63411: internal_utf8_loop (loop.c:303) ==6715== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==6715== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==6715== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==6715== by 0x547A3F: ??? (in /usr/bin/python3.6) ==6715== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==6715== by 0x5BA640: ??? (in /usr/bin/python3.6) ==6715== by 0x551B80: ??? (in /usr/bin/python3.6) ==6715== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==6715== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==6715== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==6715== by 0x509D47: ??? (in /usr/bin/python3.6) ==6715== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==6715== ==6715== Conditional jump or move depends on uninitialised value(s) ==6715== at 0x4E63458: internal_utf8_loop (loop.c:298) ==6715== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==6715== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==6715== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==6715== by 0x547A3F: ??? (in /usr/bin/python3.6) ==6715== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==6715== by 0x5BA640: ??? (in /usr/bin/python3.6) ==6715== by 0x551B80: ??? (in /usr/bin/python3.6) ==6715== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==6715== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==6715== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==6715== by 0x509D47: ??? (in /usr/bin/python3.6) ==6715== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==6715== ==6715== Conditional jump or move depends on uninitialised value(s) ==6715== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==6715== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==6715== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==6715== by 0x547A3F: ??? (in /usr/bin/python3.6) ==6715== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==6715== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==6715== by 0x4F8388: ??? (in /usr/bin/python3.6) ==6715== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==6715== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==6715== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==6715== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==6715== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==6715== --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --6715-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 ==6715== ==6715== HEAP SUMMARY: ==6715== in use at exit: 3,062,557 bytes in 1,951 blocks ==6715== total heap usage: 2,259,715 allocs, 2,257,764 frees, 670,456,643 bytes allocated ==6715== ==6715== LEAK SUMMARY: ==6715== definitely lost: 0 bytes in 0 blocks ==6715== indirectly lost: 0 bytes in 0 blocks ==6715== possibly lost: 151,315 bytes in 96 blocks ==6715== still reachable: 2,911,242 bytes in 1,855 blocks ==6715== suppressed: 0 bytes in 0 blocks ==6715== Rerun with --leak-check=full to see details of leaked memory ==6715== ==6715== For counts of detected and suppressed errors, rerun with: -v ==6715== Use --track-origins=yes to see where uninitialised values come from ==6715== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12298 from 674) ================================================================================ 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.