!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000 Supported species : Ni random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ni (Configuration in file "config-F-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -55.524053824940864 Forces: 1 -1.46451743e+00 -2.53023279e+00 -2.82294795e+00 2 -1.54547017e+00 1.71126970e+00 -3.74797877e+00 3 1.57347061e+00 -4.26303233e+00 3.54099690e-02 4 -3.47434538e+00 1.13841994e+00 5.91490761e-01 5 2.32759823e+00 -4.54328202e+00 -1.81194128e+00 6 9.27202849e-01 1.72483373e+00 -2.03545542e+00 7 3.16642896e+00 -6.06919049e+00 -3.65034611e+00 8 -3.09505790e+00 -3.23080977e+00 -1.31465496e+00 9 -4.20400382e+00 -2.89843065e+00 -6.05965239e+00 10 -1.94030374e-01 8.32431100e+00 -6.53000142e+00 11 -2.10937025e+00 -5.74836070e+00 3.06556698e+00 12 -4.59225751e+00 5.62532588e+00 1.37636027e+00 13 4.76829021e+00 -2.75158100e+00 -8.84191882e+00 14 9.67212166e-01 1.48670868e+00 -8.95108851e-01 15 7.57498420e+00 -1.35606514e+00 -3.40514614e+00 16 2.64491723e+00 8.61811364e+00 2.19946935e+00 17 -5.94111702e+00 -3.19612192e+00 -1.76944354e+00 18 1.47685640e+00 4.15737697e+00 4.75308655e-01 19 2.22988467e+00 -4.60933260e+00 3.56101995e+00 20 -2.01044220e+00 3.90630379e+00 2.63917947e+00 21 -3.79569444e+00 -4.60399593e+00 1.08418015e+00 22 6.03841896e+00 3.76747076e+00 3.55881287e+00 23 1.92391863e+00 -8.27487443e-01 2.56648756e+00 24 -2.35714111e-01 1.02363338e+00 2.20298107e+00 25 -3.68779031e+00 -1.99325700e+00 3.43920760e+00 26 -1.32600643e+00 6.54366415e+00 -2.51229348e+00 27 3.76002204e-02 -6.88848798e+00 3.96694757e+00 28 -4.68943948e+00 3.26593897e+00 1.78450897e+00 29 -3.37942103e+00 -3.96813888e+00 3.10986876e+00 30 2.96334442e+00 6.27215552e+00 3.57405532e-01 31 4.98885293e+00 -2.87979978e+00 4.16597513e+00 32 2.13569716e+00 4.79208028e+00 5.21670850e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ni (Configuration in file "config-T-Ni.xyz") ----------------------------------------------------------------------------------------------------- Energy = -55.524053824940864 Forces: 1 -1.46451743e+00 -2.53023279e+00 -2.82294795e+00 2 -1.54547017e+00 1.71126970e+00 -3.74797877e+00 3 1.57347061e+00 -4.26303233e+00 3.54099690e-02 4 -3.47434538e+00 1.13841994e+00 5.91490761e-01 5 2.32759823e+00 -4.54328202e+00 -1.81194128e+00 6 9.27202849e-01 1.72483373e+00 -2.03545542e+00 7 3.16642896e+00 -6.06919049e+00 -3.65034611e+00 8 -3.09505790e+00 -3.23080977e+00 -1.31465496e+00 9 -4.20400382e+00 -2.89843065e+00 -6.05965239e+00 10 -1.94030374e-01 8.32431100e+00 -6.53000142e+00 11 -2.10937025e+00 -5.74836070e+00 3.06556698e+00 12 -4.59225751e+00 5.62532588e+00 1.37636027e+00 13 4.76829021e+00 -2.75158100e+00 -8.84191882e+00 14 9.67212166e-01 1.48670868e+00 -8.95108851e-01 15 7.57498420e+00 -1.35606514e+00 -3.40514614e+00 16 2.64491723e+00 8.61811364e+00 2.19946935e+00 17 -5.94111702e+00 -3.19612192e+00 -1.76944354e+00 18 1.47685640e+00 4.15737697e+00 4.75308655e-01 19 2.22988467e+00 -4.60933260e+00 3.56101995e+00 20 -2.01044220e+00 3.90630379e+00 2.63917947e+00 21 -3.79569444e+00 -4.60399593e+00 1.08418015e+00 22 6.03841896e+00 3.76747076e+00 3.55881287e+00 23 1.92391863e+00 -8.27487443e-01 2.56648756e+00 24 -2.35714111e-01 1.02363338e+00 2.20298107e+00 25 -3.68779031e+00 -1.99325700e+00 3.43920760e+00 26 -1.32600643e+00 6.54366415e+00 -2.51229348e+00 27 3.76002204e-02 -6.88848798e+00 3.96694757e+00 28 -4.68943948e+00 3.26593897e+00 1.78450897e+00 29 -3.37942103e+00 -3.96813888e+00 3.10986876e+00 30 2.96334442e+00 6.27215552e+00 3.57405532e-01 31 4.98885293e+00 -2.87979978e+00 4.16597513e+00 32 2.13569716e+00 4.79208028e+00 5.21670850e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==2810== Memcheck, a memory error detector ==2810== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==2810== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==2810== Command: python runner2.py Sim_LAMMPS_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_000 ==2810== ==2810== Conditional jump or move depends on uninitialised value(s) ==2810== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==2810== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==2810== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2810== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2810== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==2810== by 0x5BA640: ??? (in /usr/bin/python3.6) ==2810== by 0x551B80: ??? (in /usr/bin/python3.6) ==2810== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==2810== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==2810== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2810== by 0x509D47: ??? (in /usr/bin/python3.6) ==2810== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==2810== ==2810== Conditional jump or move depends on uninitialised value(s) ==2810== at 0x4E63408: internal_utf8_loop (loop.c:298) ==2810== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==2810== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==2810== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2810== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2810== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==2810== by 0x5BA640: ??? (in /usr/bin/python3.6) ==2810== by 0x551B80: ??? (in /usr/bin/python3.6) ==2810== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==2810== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==2810== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2810== by 0x509D47: ??? (in /usr/bin/python3.6) ==2810== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==2810== ==2810== Conditional jump or move depends on uninitialised value(s) ==2810== at 0x4E63411: internal_utf8_loop (loop.c:303) ==2810== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==2810== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==2810== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2810== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2810== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==2810== by 0x5BA640: ??? (in /usr/bin/python3.6) ==2810== by 0x551B80: ??? (in /usr/bin/python3.6) ==2810== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==2810== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==2810== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2810== by 0x509D47: ??? (in /usr/bin/python3.6) ==2810== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==2810== ==2810== Conditional jump or move depends on uninitialised value(s) ==2810== at 0x4E63458: internal_utf8_loop (loop.c:298) ==2810== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==2810== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==2810== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2810== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2810== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==2810== by 0x5BA640: ??? (in /usr/bin/python3.6) ==2810== by 0x551B80: ??? (in /usr/bin/python3.6) ==2810== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==2810== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==2810== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2810== by 0x509D47: ??? (in /usr/bin/python3.6) ==2810== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==2810== ==2810== Conditional jump or move depends on uninitialised value(s) ==2810== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==2810== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==2810== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==2810== by 0x547A3F: ??? (in /usr/bin/python3.6) ==2810== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==2810== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==2810== by 0x4F8388: ??? (in /usr/bin/python3.6) ==2810== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==2810== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==2810== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==2810== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==2810== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==2810== --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --2810-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 ==2810== ==2810== HEAP SUMMARY: ==2810== in use at exit: 3,061,549 bytes in 1,950 blocks ==2810== total heap usage: 45,754 allocs, 43,804 frees, 95,710,440 bytes allocated ==2810== ==2810== LEAK SUMMARY: ==2810== definitely lost: 0 bytes in 0 blocks ==2810== indirectly lost: 0 bytes in 0 blocks ==2810== possibly lost: 151,315 bytes in 96 blocks ==2810== still reachable: 2,910,234 bytes in 1,854 blocks ==2810== suppressed: 0 bytes in 0 blocks ==2810== Rerun with --leak-check=full to see details of leaked memory ==2810== ==2810== For counts of detected and suppressed errors, rerun with: -v ==2810== Use --track-origins=yes to see where uninitialised values come from ==2810== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 11064 from 670) ================================================================================ 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.