!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AGNI_BotuBatraChapman_2017_Al__SM_666183636896_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 = 0.0 Forces: 1 -5.05503199e+00 -9.36972567e+00 -1.00493798e+01 2 -4.66473980e+00 6.88098350e+00 -1.77278901e+01 3 7.03976835e+00 -2.30278072e+01 -7.46415757e+00 4 -2.00609669e+01 6.92702948e+00 5.77573191e-01 5 -1.44754497e+00 -1.74441860e+01 -5.42439018e+00 6 9.88083674e+00 6.49709880e+00 -1.14012567e+01 7 1.01705945e+01 -2.70293666e+01 -1.90396197e+01 8 -1.42603468e+01 -1.10970178e+01 -1.95438201e+00 9 -1.03730487e+01 -8.18763199e+00 -1.99697083e+01 10 -4.26264506e+00 2.16241853e+01 -2.08701352e+01 11 -3.80140338e+00 -1.37226629e+01 3.30730377e+00 12 -1.41401764e+01 1.70908222e+01 2.42059410e+00 13 -5.54082057e+00 -1.40910235e+01 -4.42048821e+01 14 9.22860135e+00 1.12128143e+01 -7.56917816e+00 15 4.32059406e+01 -5.36851621e+00 8.04030332e+00 16 5.35365119e+00 4.09425815e+01 1.28469707e+01 17 -1.99072568e+01 -1.22198651e+01 -3.13900162e+00 18 1.13416596e+01 1.41435085e+01 9.07566505e+00 19 4.80571552e+00 -1.55231351e+01 8.00814079e+00 20 -7.75576188e+00 9.20382041e+00 9.39611706e+00 21 -1.24563501e+01 -1.76516600e+01 7.62326741e+00 22 2.96531801e+01 2.17618748e+01 1.47502011e+01 23 5.23813782e+00 -3.04113871e+00 1.14853086e+01 24 3.07754894e+00 6.91149849e+00 1.55122023e+01 25 -2.00677925e+01 -6.16147802e+00 9.58894448e+00 26 -6.17261862e+00 3.01734089e+01 -9.42867998e+00 27 8.56769337e+00 -3.00505744e+01 1.75558758e+01 28 -2.39060579e+01 1.98416816e+01 5.67658815e+00 29 -8.36240205e+00 -1.26562043e+01 9.16631376e+00 30 1.28800327e+01 1.64780917e+01 -1.57200524e+00 31 1.54431953e+01 -1.21445399e+01 1.62964216e+01 32 8.70458051e+00 1.52911066e+01 1.98788841e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Al (Configuration in file "config-T-Al.xyz") ----------------------------------------------------------------------------------------------------- Energy = 0.0 Forces: 1 -5.05503199e+00 -9.36972567e+00 -1.00493798e+01 2 -4.66473980e+00 6.88098350e+00 -1.77278901e+01 3 7.03976835e+00 -2.30278072e+01 -7.46415757e+00 4 -2.00609669e+01 6.92702948e+00 5.77573191e-01 5 -1.44754497e+00 -1.74441860e+01 -5.42439018e+00 6 9.88083674e+00 6.49709880e+00 -1.14012567e+01 7 1.01705945e+01 -2.70293666e+01 -1.90396197e+01 8 -1.42603468e+01 -1.10970178e+01 -1.95438201e+00 9 -1.03730487e+01 -8.18763199e+00 -1.99697083e+01 10 -4.26264506e+00 2.16241853e+01 -2.08701352e+01 11 -3.80140338e+00 -1.37226629e+01 3.30730377e+00 12 -1.41401764e+01 1.70908222e+01 2.42059410e+00 13 -5.54082057e+00 -1.40910235e+01 -4.42048821e+01 14 9.22860135e+00 1.12128143e+01 -7.56917816e+00 15 4.32059406e+01 -5.36851621e+00 8.04030332e+00 16 5.35365119e+00 4.09425815e+01 1.28469707e+01 17 -1.99072568e+01 -1.22198651e+01 -3.13900162e+00 18 1.13416596e+01 1.41435085e+01 9.07566505e+00 19 4.80571552e+00 -1.55231351e+01 8.00814079e+00 20 -7.75576188e+00 9.20382041e+00 9.39611706e+00 21 -1.24563501e+01 -1.76516600e+01 7.62326741e+00 22 2.96531801e+01 2.17618748e+01 1.47502011e+01 23 5.23813782e+00 -3.04113871e+00 1.14853086e+01 24 3.07754894e+00 6.91149849e+00 1.55122023e+01 25 -2.00677925e+01 -6.16147802e+00 9.58894448e+00 26 -6.17261862e+00 3.01734089e+01 -9.42867998e+00 27 8.56769337e+00 -3.00505744e+01 1.75558758e+01 28 -2.39060579e+01 1.98416816e+01 5.67658815e+00 29 -8.36240205e+00 -1.26562043e+01 9.16631376e+00 30 1.28800327e+01 1.64780917e+01 -1.57200524e+00 31 1.54431953e+01 -1.21445399e+01 1.62964216e+01 32 8.70458051e+00 1.52911066e+01 1.98788841e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==3186== Memcheck, a memory error detector ==3186== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==3186== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==3186== Command: python runner2.py Sim_LAMMPS_AGNI_BotuBatraChapman_2017_Al__SM_666183636896_000 ==3186== ==3186== Conditional jump or move depends on uninitialised value(s) ==3186== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==3186== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==3186== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==3186== by 0x547A3F: ??? (in /usr/bin/python3.6) ==3186== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==3186== by 0x5BA640: ??? (in /usr/bin/python3.6) ==3186== by 0x551B80: ??? (in /usr/bin/python3.6) ==3186== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==3186== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==3186== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==3186== by 0x509D47: ??? (in /usr/bin/python3.6) ==3186== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==3186== ==3186== Conditional jump or move depends on uninitialised value(s) ==3186== at 0x4E63408: internal_utf8_loop (loop.c:298) ==3186== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==3186== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==3186== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==3186== by 0x547A3F: ??? (in /usr/bin/python3.6) ==3186== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==3186== by 0x5BA640: ??? (in /usr/bin/python3.6) ==3186== by 0x551B80: ??? (in /usr/bin/python3.6) ==3186== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==3186== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==3186== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==3186== by 0x509D47: ??? (in /usr/bin/python3.6) ==3186== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==3186== ==3186== Conditional jump or move depends on uninitialised value(s) ==3186== at 0x4E63411: internal_utf8_loop (loop.c:303) ==3186== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==3186== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==3186== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==3186== by 0x547A3F: ??? (in /usr/bin/python3.6) ==3186== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==3186== by 0x5BA640: ??? (in /usr/bin/python3.6) ==3186== by 0x551B80: ??? (in /usr/bin/python3.6) ==3186== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==3186== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==3186== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==3186== by 0x509D47: ??? (in /usr/bin/python3.6) ==3186== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==3186== ==3186== Conditional jump or move depends on uninitialised value(s) ==3186== at 0x4E63458: internal_utf8_loop (loop.c:298) ==3186== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==3186== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==3186== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==3186== by 0x547A3F: ??? (in /usr/bin/python3.6) ==3186== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==3186== by 0x5BA640: ??? (in /usr/bin/python3.6) ==3186== by 0x551B80: ??? (in /usr/bin/python3.6) ==3186== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==3186== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==3186== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==3186== by 0x509D47: ??? (in /usr/bin/python3.6) ==3186== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==3186== ==3186== Conditional jump or move depends on uninitialised value(s) ==3186== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==3186== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==3186== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==3186== by 0x547A3F: ??? (in /usr/bin/python3.6) ==3186== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==3186== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==3186== by 0x4F8388: ??? (in /usr/bin/python3.6) ==3186== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==3186== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==3186== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==3186== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==3186== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==3186== --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 --3186-- Warning: DWARF2 CFI reader: unhandled DW_OP_ opcode 0x13 ==3186== ==3186== HEAP SUMMARY: ==3186== in use at exit: 3,062,485 bytes in 1,954 blocks ==3186== total heap usage: 55,124 allocs, 53,170 frees, 76,244,586 bytes allocated ==3186== ==3186== LEAK SUMMARY: ==3186== definitely lost: 12 bytes in 3 blocks ==3186== indirectly lost: 0 bytes in 0 blocks ==3186== possibly lost: 151,315 bytes in 96 blocks ==3186== still reachable: 2,911,158 bytes in 1,855 blocks ==3186== suppressed: 0 bytes in 0 blocks ==3186== Rerun with --leak-check=full to see details of leaked memory ==3186== ==3186== For counts of detected and suppressed errors, rerun with: -v ==3186== Use --track-origins=yes to see where uninitialised values come from ==3186== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12319 from 664) ================================================================================ 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" (Search for the word "lost" in the file to identify memory leaks.) Grade: F Comment: Memory leak detected.