!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ParkFellingerLenosky_2012_W__SM_163270462402_000 Supported species : W random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = W (Configuration in file "config-F-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 112.1535268781544 Forces: 1 -7.48680033e+00 -6.84451475e+00 -1.20508197e+01 2 -1.88364390e+00 -3.23933764e+00 -3.52731083e+01 3 1.58934831e+00 -3.00951877e+01 3.91635984e+00 4 -2.81807774e+01 7.70788103e-01 5.53227303e+00 5 -4.61633747e+00 -1.98330138e+01 -1.77586014e+01 6 2.19930106e+01 2.21695955e+00 -2.17410421e+01 7 1.37655614e+01 -1.44353582e+01 9.95129668e+00 8 -1.08747029e+01 1.22517898e+00 9.03475361e+00 9 -1.25088901e+01 -2.99557164e+00 -1.97591485e+01 10 1.05877568e+01 1.95187871e+01 -8.38903961e+00 11 -1.35760000e+01 -1.05871256e+01 -4.81880664e+00 12 -2.36207950e+01 2.25814217e+01 5.14458216e+00 13 1.45475337e+01 -8.49650930e+00 -2.06904984e+01 14 2.28598832e+01 2.95166953e+01 -2.06265172e+01 15 1.35360575e+01 -3.48341625e+00 -1.25528260e+01 16 -4.19487501e+00 3.43461877e+01 1.43751030e+00 17 -2.53092840e+01 -1.71540635e+01 -7.83335514e+00 18 -3.34405687e-02 5.82397227e+00 -1.37622747e+00 19 7.38217262e+00 -2.32008798e+01 1.60460765e+01 20 -2.09741579e+01 1.16887236e+01 2.01524615e+01 21 -9.03670549e-01 -3.07158891e+01 3.94245360e+00 22 2.86713940e+01 5.31646444e+00 1.46205612e+00 23 8.47921756e+00 -9.23991174e+00 1.21275681e+01 24 5.28343972e+00 2.56200175e+00 2.25051425e+01 25 -1.63649708e+01 -6.94354207e+00 -8.02642760e+00 26 1.16509745e+01 2.64918256e+01 -6.78294978e+00 27 -2.05605399e+00 -6.71993733e+00 2.69444997e+01 28 -2.16081322e+01 1.08153450e+01 1.84828746e+01 29 1.69755302e+00 -1.62860062e+01 8.32908981e+00 30 2.12525053e+01 2.30174580e+01 3.04084730e+00 31 1.06957227e+01 -3.60813751e+00 1.05912848e+01 32 2.00401307e-01 1.79865931e+01 1.90382379e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = W (Configuration in file "config-T-W.xyz") ----------------------------------------------------------------------------------------------------- Energy = 112.1535268781544 Forces: 1 -7.48680033e+00 -6.84451475e+00 -1.20508197e+01 2 -1.88364390e+00 -3.23933764e+00 -3.52731083e+01 3 1.58934831e+00 -3.00951877e+01 3.91635984e+00 4 -2.81807774e+01 7.70788103e-01 5.53227303e+00 5 -4.61633747e+00 -1.98330138e+01 -1.77586014e+01 6 2.19930106e+01 2.21695955e+00 -2.17410421e+01 7 1.37655614e+01 -1.44353582e+01 9.95129668e+00 8 -1.08747029e+01 1.22517898e+00 9.03475361e+00 9 -1.25088901e+01 -2.99557164e+00 -1.97591485e+01 10 1.05877568e+01 1.95187871e+01 -8.38903961e+00 11 -1.35760000e+01 -1.05871256e+01 -4.81880664e+00 12 -2.36207950e+01 2.25814217e+01 5.14458216e+00 13 1.45475337e+01 -8.49650930e+00 -2.06904984e+01 14 2.28598832e+01 2.95166953e+01 -2.06265172e+01 15 1.35360575e+01 -3.48341625e+00 -1.25528260e+01 16 -4.19487501e+00 3.43461877e+01 1.43751030e+00 17 -2.53092840e+01 -1.71540635e+01 -7.83335514e+00 18 -3.34405687e-02 5.82397227e+00 -1.37622747e+00 19 7.38217262e+00 -2.32008798e+01 1.60460765e+01 20 -2.09741579e+01 1.16887236e+01 2.01524615e+01 21 -9.03670549e-01 -3.07158891e+01 3.94245360e+00 22 2.86713940e+01 5.31646444e+00 1.46205612e+00 23 8.47921756e+00 -9.23991174e+00 1.21275681e+01 24 5.28343972e+00 2.56200175e+00 2.25051425e+01 25 -1.63649708e+01 -6.94354207e+00 -8.02642760e+00 26 1.16509745e+01 2.64918256e+01 -6.78294978e+00 27 -2.05605399e+00 -6.71993733e+00 2.69444997e+01 28 -2.16081322e+01 1.08153450e+01 1.84828746e+01 29 1.69755302e+00 -1.62860062e+01 8.32908981e+00 30 2.12525053e+01 2.30174580e+01 3.04084730e+00 31 1.06957227e+01 -3.60813751e+00 1.05912848e+01 32 2.00401307e-01 1.79865931e+01 1.90382379e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==5408== Memcheck, a memory error detector ==5408== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==5408== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==5408== Command: python runner2.py Sim_LAMMPS_MEAM_ParkFellingerLenosky_2012_W__SM_163270462402_000 ==5408== ==5408== Conditional jump or move depends on uninitialised value(s) ==5408== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==5408== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==5408== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==5408== by 0x547A3F: ??? (in /usr/bin/python3.6) ==5408== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==5408== by 0x5BA640: ??? (in /usr/bin/python3.6) ==5408== by 0x551B80: ??? (in /usr/bin/python3.6) ==5408== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==5408== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==5408== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==5408== by 0x509D47: ??? (in /usr/bin/python3.6) ==5408== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==5408== ==5408== Conditional jump or move depends on uninitialised value(s) ==5408== at 0x4E63408: internal_utf8_loop (loop.c:298) ==5408== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==5408== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==5408== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==5408== by 0x547A3F: ??? (in /usr/bin/python3.6) ==5408== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==5408== by 0x5BA640: ??? (in /usr/bin/python3.6) ==5408== by 0x551B80: ??? (in /usr/bin/python3.6) ==5408== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==5408== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==5408== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==5408== by 0x509D47: ??? (in /usr/bin/python3.6) ==5408== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==5408== ==5408== Conditional jump or move depends on uninitialised value(s) ==5408== at 0x4E63411: internal_utf8_loop (loop.c:303) ==5408== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==5408== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==5408== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==5408== by 0x547A3F: ??? (in /usr/bin/python3.6) ==5408== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==5408== by 0x5BA640: ??? (in /usr/bin/python3.6) ==5408== by 0x551B80: ??? (in /usr/bin/python3.6) ==5408== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==5408== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==5408== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==5408== by 0x509D47: ??? (in /usr/bin/python3.6) ==5408== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==5408== ==5408== Conditional jump or move depends on uninitialised value(s) ==5408== at 0x4E63458: internal_utf8_loop (loop.c:298) ==5408== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==5408== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==5408== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==5408== by 0x547A3F: ??? (in /usr/bin/python3.6) ==5408== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==5408== by 0x5BA640: ??? (in /usr/bin/python3.6) ==5408== by 0x551B80: ??? (in /usr/bin/python3.6) ==5408== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==5408== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==5408== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==5408== by 0x509D47: ??? (in /usr/bin/python3.6) ==5408== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==5408== ==5408== Conditional jump or move depends on uninitialised value(s) ==5408== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==5408== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==5408== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==5408== by 0x547A3F: ??? (in /usr/bin/python3.6) ==5408== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==5408== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==5408== by 0x4F8388: ??? (in /usr/bin/python3.6) ==5408== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==5408== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==5408== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==5408== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==5408== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==5408== --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --5408-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 ==5408== ==5408== HEAP SUMMARY: ==5408== in use at exit: 3,062,509 bytes in 1,951 blocks ==5408== total heap usage: 46,146 allocs, 44,195 frees, 75,410,743 bytes allocated ==5408== ==5408== LEAK SUMMARY: ==5408== definitely lost: 0 bytes in 0 blocks ==5408== indirectly lost: 0 bytes in 0 blocks ==5408== possibly lost: 151,315 bytes in 96 blocks ==5408== still reachable: 2,911,194 bytes in 1,855 blocks ==5408== suppressed: 0 bytes in 0 blocks ==5408== Rerun with --leak-check=full to see details of leaked memory ==5408== ==5408== For counts of detected and suppressed errors, rerun with: -v ==5408== Use --track-origins=yes to see where uninitialised values come from ==5408== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12308 from 672) ================================================================================ 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.