!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_Ag__MO_303974873468_001 Supported species : Ag random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ag (Configuration in file "config-F-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 244.17445770392973 Forces: 1 -8.70959580e+00 -2.18662564e+01 -2.24634252e+01 2 -1.18972177e+01 1.77000260e+01 -1.52871636e+01 3 8.75118861e+00 -3.35066101e+01 -1.72174063e+01 4 -1.49864010e+01 1.58621037e+01 1.11756718e+01 5 2.08399958e+00 -3.30595058e+01 -4.71836051e+00 6 1.74531413e+01 1.27274323e+01 -1.86539625e+01 7 1.25965169e+01 -6.28160713e+01 -5.31248974e+01 8 -2.70907090e+01 -1.64095468e+01 -7.26938494e+00 9 -2.79831708e+01 -1.56832109e+01 -4.43364492e+01 10 -7.98874948e+00 3.89968309e+01 -4.07587424e+01 11 1.28507015e+01 -2.84055992e+01 2.59614767e+01 12 -2.16579056e+01 3.47956876e+01 4.81647382e+00 13 -2.17624686e+01 -2.98195897e+01 -7.85196862e+01 14 1.61896657e+01 2.15057709e+01 -1.33653415e+01 15 7.23319361e+01 -9.72074941e+00 2.71071735e+01 16 9.58445549e+00 4.92166825e+01 3.21255065e+01 17 -3.09558265e+01 -1.58081275e+01 -1.04894988e+01 18 8.34243372e+00 3.12571711e+01 1.75715604e+01 19 9.72001070e+00 -2.82132154e+01 1.31909809e+01 20 -1.19558589e+01 1.93554867e+01 1.56582789e+01 21 -2.48601067e+01 -2.16828313e+01 1.66869800e+01 22 4.06248371e+01 5.69918035e+01 3.79873714e+01 23 9.88967427e+00 -6.21044547e+00 2.29526824e+01 24 7.18212485e+00 1.49744244e+01 1.04101317e+01 25 -1.86674872e+01 -1.72121230e+01 1.92826010e+01 26 -1.28324442e+01 3.52447951e+01 -2.22232326e+01 27 3.42061255e+01 -7.64103234e+01 1.94804705e+01 28 -6.44524104e+01 5.58305269e+01 9.13564252e+00 29 -1.93343180e+01 -2.05847226e+01 9.40706210e+00 30 1.60317606e+01 2.98379836e+01 -6.10299210e+00 31 3.00424659e+01 -2.68967648e+01 3.01976264e+01 32 1.72536318e+01 3.00089678e+01 3.13828529e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ag (Configuration in file "config-T-Ag.xyz") ----------------------------------------------------------------------------------------------------- Energy = 244.17445770392973 Forces: 1 -8.70959580e+00 -2.18662564e+01 -2.24634252e+01 2 -1.18972177e+01 1.77000260e+01 -1.52871636e+01 3 8.75118861e+00 -3.35066101e+01 -1.72174063e+01 4 -1.49864010e+01 1.58621037e+01 1.11756718e+01 5 2.08399958e+00 -3.30595058e+01 -4.71836051e+00 6 1.74531413e+01 1.27274323e+01 -1.86539625e+01 7 1.25965169e+01 -6.28160713e+01 -5.31248974e+01 8 -2.70907090e+01 -1.64095468e+01 -7.26938494e+00 9 -2.79831708e+01 -1.56832109e+01 -4.43364492e+01 10 -7.98874948e+00 3.89968309e+01 -4.07587424e+01 11 1.28507015e+01 -2.84055992e+01 2.59614767e+01 12 -2.16579056e+01 3.47956876e+01 4.81647382e+00 13 -2.17624686e+01 -2.98195897e+01 -7.85196862e+01 14 1.61896657e+01 2.15057709e+01 -1.33653415e+01 15 7.23319361e+01 -9.72074941e+00 2.71071735e+01 16 9.58445549e+00 4.92166825e+01 3.21255065e+01 17 -3.09558265e+01 -1.58081275e+01 -1.04894988e+01 18 8.34243372e+00 3.12571711e+01 1.75715604e+01 19 9.72001070e+00 -2.82132154e+01 1.31909809e+01 20 -1.19558589e+01 1.93554867e+01 1.56582789e+01 21 -2.48601067e+01 -2.16828313e+01 1.66869800e+01 22 4.06248371e+01 5.69918035e+01 3.79873714e+01 23 9.88967427e+00 -6.21044547e+00 2.29526824e+01 24 7.18212485e+00 1.49744244e+01 1.04101317e+01 25 -1.86674872e+01 -1.72121230e+01 1.92826010e+01 26 -1.28324442e+01 3.52447951e+01 -2.22232326e+01 27 3.42061255e+01 -7.64103234e+01 1.94804705e+01 28 -6.44524104e+01 5.58305269e+01 9.13564252e+00 29 -1.93343180e+01 -2.05847226e+01 9.40706210e+00 30 1.60317606e+01 2.98379836e+01 -6.10299210e+00 31 3.00424659e+01 -2.68967648e+01 3.01976264e+01 32 1.72536318e+01 3.00089678e+01 3.13828529e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==95522== Memcheck, a memory error detector ==95522== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==95522== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==95522== Command: python runner2.py EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Ag__MO_303974873468_001 ==95522== ==95522== Conditional jump or move depends on uninitialised value(s) ==95522== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==95522== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==95522== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95522== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95522== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95522== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95522== by 0x551B80: ??? (in /usr/bin/python3.6) ==95522== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95522== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95522== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95522== by 0x509D47: ??? (in /usr/bin/python3.6) ==95522== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95522== ==95522== Conditional jump or move depends on uninitialised value(s) ==95522== at 0x4E63408: internal_utf8_loop (loop.c:298) ==95522== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==95522== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==95522== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95522== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95522== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95522== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95522== by 0x551B80: ??? (in /usr/bin/python3.6) ==95522== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95522== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95522== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95522== by 0x509D47: ??? (in /usr/bin/python3.6) ==95522== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95522== ==95522== Conditional jump or move depends on uninitialised value(s) ==95522== at 0x4E63411: internal_utf8_loop (loop.c:303) ==95522== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==95522== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==95522== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95522== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95522== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95522== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95522== by 0x551B80: ??? (in /usr/bin/python3.6) ==95522== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95522== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95522== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95522== by 0x509D47: ??? (in /usr/bin/python3.6) ==95522== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95522== ==95522== Conditional jump or move depends on uninitialised value(s) ==95522== at 0x4E63458: internal_utf8_loop (loop.c:298) ==95522== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==95522== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==95522== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95522== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95522== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==95522== by 0x5BA640: ??? (in /usr/bin/python3.6) ==95522== by 0x551B80: ??? (in /usr/bin/python3.6) ==95522== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==95522== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==95522== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95522== by 0x509D47: ??? (in /usr/bin/python3.6) ==95522== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==95522== ==95522== Conditional jump or move depends on uninitialised value(s) ==95522== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==95522== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==95522== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==95522== by 0x547A3F: ??? (in /usr/bin/python3.6) ==95522== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==95522== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==95522== by 0x4F8388: ??? (in /usr/bin/python3.6) ==95522== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==95522== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==95522== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==95522== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==95522== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==95522== ==95522== ==95522== HEAP SUMMARY: ==95522== in use at exit: 2,764,995 bytes in 1,647 blocks ==95522== total heap usage: 35,999 allocs, 34,352 frees, 62,556,071 bytes allocated ==95522== ==95522== LEAK SUMMARY: ==95522== definitely lost: 0 bytes in 0 blocks ==95522== indirectly lost: 0 bytes in 0 blocks ==95522== possibly lost: 146,155 bytes in 87 blocks ==95522== still reachable: 2,618,840 bytes in 1,560 blocks ==95522== suppressed: 0 bytes in 0 blocks ==95522== Rerun with --leak-check=full to see details of leaked memory ==95522== ==95522== For counts of detected and suppressed errors, rerun with: -v ==95522== Use --track-origins=yes to see where uninitialised values come from ==95522== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 11183 from 673) ================================================================================ 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.