!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Pd__MO_066802556726_001 Supported species : Pd random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Pd (Configuration in file "config-F-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 251.74218738680653 Forces: 1 -1.06429516e+01 -2.63975077e+01 -2.77536304e+01 2 -2.09625774e+01 2.84386589e+01 -1.36010289e+01 3 1.11125206e+01 -3.03048555e+01 -1.78499432e+01 4 -1.71481566e+01 1.33487922e+01 1.63142240e+01 5 1.76776742e+01 -4.20707818e+01 -3.95547082e+00 6 1.54508020e+01 9.87491518e+00 -1.49219810e+01 7 9.26479245e+00 -8.79198180e+01 -8.93866184e+01 8 -3.08213546e+01 -2.22703067e+01 -1.51241444e+01 9 -5.41877457e+01 -1.42461581e+01 -8.13467929e+01 10 -1.11211907e+01 4.99332819e+01 -5.33235439e+01 11 5.90562534e+01 -4.24296543e+01 4.42883467e+01 12 -3.23799313e+01 5.70223381e+01 -2.58219443e+00 13 -3.73234177e+01 -3.64397872e+01 -1.07861401e+02 14 1.94365618e+01 2.59570567e+01 -1.61306383e+01 15 1.00253411e+02 -1.23049357e+01 3.75411516e+01 16 8.01545476e+00 6.17200968e+01 4.24586607e+01 17 -3.20409419e+01 -1.36966722e+01 -1.39911111e+01 18 -1.45663680e+01 2.64425072e+01 1.60316546e+01 19 1.79981407e+01 -2.52137869e+01 1.90346012e+01 20 -1.26105321e+01 2.26009827e+01 1.71852570e+01 21 -3.01991000e+01 -2.87717890e+01 2.34377768e+01 22 5.31207146e+01 7.57314083e+01 6.96619353e+01 23 1.11637227e+01 -4.42418376e+00 1.79559622e+01 24 6.49790519e+00 3.41679774e+00 1.30449272e+01 25 -2.53782631e+01 -2.59692664e+01 5.20287104e+01 26 -2.00205987e+01 4.41272968e+01 -2.79676378e+01 27 4.60500282e+01 -1.02859547e+02 2.27114157e+01 28 -8.81787543e+01 7.55598510e+01 8.95844013e+00 29 -2.27645939e+01 -2.51083443e+01 1.04848444e+01 30 1.96835011e+01 3.55884269e+01 1.14138553e-01 31 4.18207484e+01 -2.80316370e+01 3.45797862e+01 32 2.37442460e+01 3.86966210e+01 3.99643033e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Pd (Configuration in file "config-T-Pd.xyz") ----------------------------------------------------------------------------------------------------- Energy = 251.74218738680653 Forces: 1 -1.06429516e+01 -2.63975077e+01 -2.77536304e+01 2 -2.09625774e+01 2.84386589e+01 -1.36010289e+01 3 1.11125206e+01 -3.03048555e+01 -1.78499432e+01 4 -1.71481566e+01 1.33487922e+01 1.63142240e+01 5 1.76776742e+01 -4.20707818e+01 -3.95547082e+00 6 1.54508020e+01 9.87491518e+00 -1.49219810e+01 7 9.26479245e+00 -8.79198180e+01 -8.93866184e+01 8 -3.08213546e+01 -2.22703067e+01 -1.51241444e+01 9 -5.41877457e+01 -1.42461581e+01 -8.13467929e+01 10 -1.11211907e+01 4.99332819e+01 -5.33235439e+01 11 5.90562534e+01 -4.24296543e+01 4.42883467e+01 12 -3.23799313e+01 5.70223381e+01 -2.58219443e+00 13 -3.73234177e+01 -3.64397872e+01 -1.07861401e+02 14 1.94365618e+01 2.59570567e+01 -1.61306383e+01 15 1.00253411e+02 -1.23049357e+01 3.75411516e+01 16 8.01545476e+00 6.17200968e+01 4.24586607e+01 17 -3.20409419e+01 -1.36966722e+01 -1.39911111e+01 18 -1.45663680e+01 2.64425072e+01 1.60316546e+01 19 1.79981407e+01 -2.52137869e+01 1.90346012e+01 20 -1.26105321e+01 2.26009827e+01 1.71852570e+01 21 -3.01991000e+01 -2.87717890e+01 2.34377768e+01 22 5.31207146e+01 7.57314083e+01 6.96619353e+01 23 1.11637227e+01 -4.42418376e+00 1.79559622e+01 24 6.49790519e+00 3.41679774e+00 1.30449272e+01 25 -2.53782631e+01 -2.59692664e+01 5.20287104e+01 26 -2.00205987e+01 4.41272968e+01 -2.79676378e+01 27 4.60500282e+01 -1.02859547e+02 2.27114157e+01 28 -8.81787543e+01 7.55598510e+01 8.95844013e+00 29 -2.27645939e+01 -2.51083443e+01 1.04848444e+01 30 1.96835011e+01 3.55884269e+01 1.14138553e-01 31 4.18207484e+01 -2.80316370e+01 3.45797862e+01 32 2.37442460e+01 3.86966210e+01 3.99643033e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==95902== Memcheck, a memory error detector ==95902== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==95902== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==95902== Command: python runner2.py EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Pd__MO_066802556726_001 ==95902== ==95902== Conditional jump or move depends on uninitialised value(s) ==95902== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==95902== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==95902== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95902== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95902== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95902== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95902== by 0x551B80: ??? (in /usr/bin/python3.6) ==95902== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95902== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95902== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95902== by 0x509D47: ??? (in /usr/bin/python3.6) ==95902== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95902== ==95902== Conditional jump or move depends on uninitialised value(s) ==95902== at 0x4E63408: internal_utf8_loop (loop.c:298) ==95902== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==95902== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==95902== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95902== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95902== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95902== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95902== by 0x551B80: ??? (in /usr/bin/python3.6) ==95902== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95902== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95902== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95902== by 0x509D47: ??? (in /usr/bin/python3.6) ==95902== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95902== ==95902== Conditional jump or move depends on uninitialised value(s) ==95902== at 0x4E63411: internal_utf8_loop (loop.c:303) ==95902== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==95902== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==95902== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95902== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95902== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95902== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95902== by 0x551B80: ??? (in /usr/bin/python3.6) ==95902== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95902== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95902== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95902== by 0x509D47: ??? (in /usr/bin/python3.6) ==95902== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95902== ==95902== Conditional jump or move depends on uninitialised value(s) ==95902== at 0x4E63458: internal_utf8_loop (loop.c:298) ==95902== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==95902== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==95902== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95902== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95902== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95902== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95902== by 0x551B80: ??? (in /usr/bin/python3.6) ==95902== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95902== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95902== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95902== by 0x509D47: ??? (in /usr/bin/python3.6) ==95902== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95902== ==95902== Conditional jump or move depends on uninitialised value(s) ==95902== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==95902== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==95902== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95902== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95902== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==95902== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==95902== by 0x4F8388: ??? (in /usr/bin/python3.6) ==95902== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==95902== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==95902== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==95902== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==95902== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95902== ==95902== ==95902== HEAP SUMMARY: ==95902== in use at exit: 2,764,995 bytes in 1,647 blocks ==95902== total heap usage: 35,999 allocs, 34,352 frees, 62,555,935 bytes allocated ==95902== ==95902== LEAK SUMMARY: ==95902== definitely lost: 0 bytes in 0 blocks ==95902== indirectly lost: 0 bytes in 0 blocks ==95902== possibly lost: 146,155 bytes in 87 blocks ==95902== still reachable: 2,618,840 bytes in 1,560 blocks ==95902== suppressed: 0 bytes in 0 blocks ==95902== Rerun with --leak-check=full to see details of leaked memory ==95902== ==95902== For counts of detected and suppressed errors, rerun with: -v ==95902== Use --track-origins=yes to see where uninitialised values come from ==95902== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 11178 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.