!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_DuLenoskyHennig_2011_Si__SM_662785656123_000 Supported species : Si random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Si (Configuration in file "config-F-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 148.80938429612883 Forces: 1 -7.54997140e+00 -6.08084848e+00 -7.97156077e+00 2 -4.03399025e+00 -8.86133751e+00 -3.49529110e+01 3 -1.52121695e+01 -4.23836131e+01 -6.05148664e+00 4 -2.99950682e+01 -4.91618053e+00 -5.17520319e+00 5 4.76042474e+00 -1.56401107e+01 -1.70097827e+01 6 1.10737580e+01 -6.44510101e+00 -1.66644925e+01 7 2.01794263e+01 -2.36453983e+01 -7.12004186e+00 8 1.34648918e+01 -2.11153052e+01 -1.28879166e+01 9 -1.54505920e+01 2.02989621e+00 -1.95498675e+01 10 -7.53885402e+00 1.97599510e+01 -2.10021043e+01 11 -2.97081925e+01 6.18333203e+00 -1.37430598e+01 12 -1.76416699e+01 1.47713883e+01 -4.86590783e+00 13 1.38784287e+01 7.65676119e+00 -4.49019312e+01 14 1.04793609e+01 9.11129478e+00 -8.13288004e+00 15 4.65874183e+01 1.13577131e+01 -1.18442188e+01 16 8.46464575e+00 4.93762119e+01 -1.25457192e+01 17 -1.39141538e+01 -1.16171473e+01 3.85856800e+00 18 -1.52596562e+01 -1.60200696e+01 1.42232122e+01 19 -3.92335592e+00 -1.24427066e+01 1.43453762e+01 20 -1.19653162e+01 -4.55725197e+00 1.03083545e+01 21 7.69901579e+00 -3.10998567e+01 1.18348263e+01 22 3.54609230e+01 -1.15039456e+01 4.31799126e+00 23 5.99800403e+00 -2.25921726e+00 9.18931048e+00 24 1.32844344e+00 -9.54228304e+00 3.56596935e+01 25 -4.26218821e+01 4.03813300e+00 7.42413412e+00 26 -1.16245609e+01 4.04576192e+01 1.27742854e+01 27 -1.35671363e+01 7.39451465e+00 3.33858391e+01 28 -1.06744195e+01 5.71351720e+00 8.78461079e+00 29 2.02663314e+01 1.42339241e+01 2.54908545e+01 30 2.23843082e+01 1.84548077e+01 7.52974912e+00 31 2.01617816e+01 -1.64544830e-01 2.27128754e+01 32 8.49382661e+00 1.77558536e+01 2.25794033e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Si (Configuration in file "config-T-Si.xyz") ----------------------------------------------------------------------------------------------------- Energy = 148.80938429612883 Forces: 1 -7.54997140e+00 -6.08084848e+00 -7.97156077e+00 2 -4.03399025e+00 -8.86133751e+00 -3.49529110e+01 3 -1.52121695e+01 -4.23836131e+01 -6.05148664e+00 4 -2.99950682e+01 -4.91618053e+00 -5.17520319e+00 5 4.76042474e+00 -1.56401107e+01 -1.70097827e+01 6 1.10737580e+01 -6.44510101e+00 -1.66644925e+01 7 2.01794263e+01 -2.36453983e+01 -7.12004186e+00 8 1.34648918e+01 -2.11153052e+01 -1.28879166e+01 9 -1.54505920e+01 2.02989621e+00 -1.95498675e+01 10 -7.53885402e+00 1.97599510e+01 -2.10021043e+01 11 -2.97081925e+01 6.18333203e+00 -1.37430598e+01 12 -1.76416699e+01 1.47713883e+01 -4.86590783e+00 13 1.38784287e+01 7.65676119e+00 -4.49019312e+01 14 1.04793609e+01 9.11129478e+00 -8.13288004e+00 15 4.65874183e+01 1.13577131e+01 -1.18442188e+01 16 8.46464575e+00 4.93762119e+01 -1.25457192e+01 17 -1.39141538e+01 -1.16171473e+01 3.85856800e+00 18 -1.52596562e+01 -1.60200696e+01 1.42232122e+01 19 -3.92335592e+00 -1.24427066e+01 1.43453762e+01 20 -1.19653162e+01 -4.55725197e+00 1.03083545e+01 21 7.69901579e+00 -3.10998567e+01 1.18348263e+01 22 3.54609230e+01 -1.15039456e+01 4.31799126e+00 23 5.99800403e+00 -2.25921726e+00 9.18931048e+00 24 1.32844344e+00 -9.54228304e+00 3.56596935e+01 25 -4.26218821e+01 4.03813300e+00 7.42413412e+00 26 -1.16245609e+01 4.04576192e+01 1.27742854e+01 27 -1.35671363e+01 7.39451465e+00 3.33858391e+01 28 -1.06744195e+01 5.71351720e+00 8.78461079e+00 29 2.02663314e+01 1.42339241e+01 2.54908545e+01 30 2.23843082e+01 1.84548077e+01 7.52974912e+00 31 2.01617816e+01 -1.64544830e-01 2.27128754e+01 32 8.49382661e+00 1.77558536e+01 2.25794033e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==4459== Memcheck, a memory error detector ==4459== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==4459== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==4459== Command: python runner2.py Sim_LAMMPS_MEAM_DuLenoskyHennig_2011_Si__SM_662785656123_000 ==4459== ==4459== Conditional jump or move depends on uninitialised value(s) ==4459== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==4459== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==4459== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==4459== by 0x547A3F: ??? (in /usr/bin/python3.6) ==4459== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==4459== by 0x5BA640: ??? (in /usr/bin/python3.6) ==4459== by 0x551B80: ??? (in /usr/bin/python3.6) ==4459== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==4459== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==4459== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==4459== by 0x509D47: ??? (in /usr/bin/python3.6) ==4459== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==4459== ==4459== Conditional jump or move depends on uninitialised value(s) ==4459== at 0x4E63408: internal_utf8_loop (loop.c:298) ==4459== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==4459== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==4459== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==4459== by 0x547A3F: ??? (in /usr/bin/python3.6) ==4459== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==4459== by 0x5BA640: ??? (in /usr/bin/python3.6) ==4459== by 0x551B80: ??? (in /usr/bin/python3.6) ==4459== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==4459== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==4459== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==4459== by 0x509D47: ??? (in /usr/bin/python3.6) ==4459== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==4459== ==4459== Conditional jump or move depends on uninitialised value(s) ==4459== at 0x4E63411: internal_utf8_loop (loop.c:303) ==4459== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==4459== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==4459== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==4459== by 0x547A3F: ??? (in /usr/bin/python3.6) ==4459== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==4459== by 0x5BA640: ??? (in /usr/bin/python3.6) ==4459== by 0x551B80: ??? (in /usr/bin/python3.6) ==4459== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==4459== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==4459== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==4459== by 0x509D47: ??? (in /usr/bin/python3.6) ==4459== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==4459== ==4459== Conditional jump or move depends on uninitialised value(s) ==4459== at 0x4E63458: internal_utf8_loop (loop.c:298) ==4459== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==4459== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==4459== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==4459== by 0x547A3F: ??? (in /usr/bin/python3.6) ==4459== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==4459== by 0x5BA640: ??? (in /usr/bin/python3.6) ==4459== by 0x551B80: ??? (in /usr/bin/python3.6) ==4459== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==4459== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==4459== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==4459== by 0x509D47: ??? (in /usr/bin/python3.6) ==4459== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==4459== ==4459== Conditional jump or move depends on uninitialised value(s) ==4459== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==4459== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==4459== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==4459== by 0x547A3F: ??? (in /usr/bin/python3.6) ==4459== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==4459== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==4459== by 0x4F8388: ??? (in /usr/bin/python3.6) ==4459== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==4459== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==4459== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==4459== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==4459== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==4459== --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --4459-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 ==4459== ==4459== HEAP SUMMARY: ==4459== in use at exit: 3,062,461 bytes in 1,951 blocks ==4459== total heap usage: 46,126 allocs, 44,175 frees, 75,391,728 bytes allocated ==4459== ==4459== LEAK SUMMARY: ==4459== definitely lost: 0 bytes in 0 blocks ==4459== indirectly lost: 0 bytes in 0 blocks ==4459== possibly lost: 151,315 bytes in 96 blocks ==4459== still reachable: 2,911,146 bytes in 1,855 blocks ==4459== suppressed: 0 bytes in 0 blocks ==4459== Rerun with --leak-check=full to see details of leaked memory ==4459== ==4459== For counts of detected and suppressed errors, rerun with: -v ==4459== Use --track-origins=yes to see where uninitialised values come from ==4459== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12326 from 667) ================================================================================ 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.