!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : TIDP_RajanWarnerCurtin_2016E_User01__MO_971845881377_000 Supported species : user01 random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = user01 (Configuration in file "config-F-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11586.765236008821 Forces: 1 9.19977708e+00 2.76410216e+00 8.99453572e+00 2 -1.81430071e+02 9.57454677e+02 -5.56449739e+02 3 -5.06097984e+04 -7.81618558e+04 -3.04819713e+04 4 -5.04242937e+01 -1.26777196e+02 5.89515312e+01 5 -3.62781116e+02 -1.22492937e+03 3.75775018e+02 6 4.52198965e+00 1.76664026e+00 -5.67847064e+00 7 -9.88846661e+02 -2.51902504e+04 -7.90659040e+01 8 1.23766670e+03 2.53565978e+04 1.53556123e+02 9 -1.33743928e+02 -1.48451102e+00 -7.17201987e+02 10 -3.61283697e+03 3.54506169e+03 -8.64417394e+03 11 8.42602346e+02 -1.01596289e+03 -1.82478385e+03 12 -6.37886162e+02 2.58841672e+02 -8.57268042e+00 13 -1.21895444e+03 -1.26574435e+03 -9.37879617e+02 14 1.37314485e+03 1.66380746e+03 -4.57604833e+03 15 -1.50397509e+01 -5.69516724e+02 3.17234683e+03 16 4.24318638e+03 -2.91330901e+03 8.67211712e+03 17 -1.14535226e+02 -1.97384252e+01 1.37544163e+02 18 5.07302344e+04 7.81869995e+04 3.03391680e+04 19 7.65149620e+00 -4.51056757e+01 -2.21638323e+01 20 -1.99301330e+01 3.08910141e+01 5.78178083e+00 21 -2.49415530e+01 -1.45419559e+00 6.03005144e+00 22 3.23350988e+02 -8.53944067e-01 1.74917654e+02 23 6.94208772e+00 -1.15170190e+00 8.66707857e+00 24 1.49633485e+01 1.47437034e+01 1.41111183e+00 25 -7.31212333e+02 2.19528668e+02 2.35315254e+03 26 1.26796610e+03 3.22141216e+03 -3.79681837e+03 27 6.15891906e+03 -9.10100968e+03 -2.49663105e+03 28 -8.94547288e+03 6.59732664e+03 4.68333978e+03 29 -3.82949106e+03 -5.23546620e+03 1.16517569e+03 30 3.68330059e+03 5.50077597e+03 1.13134781e+03 31 7.50311121e+00 -9.44087861e-01 -7.48760292e+00 32 1.56617172e+03 -6.82417516e+02 1.70664981e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = user01 (Configuration in file "config-T-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11586.765236008821 Forces: 1 9.19977708e+00 2.76410216e+00 8.99453572e+00 2 -1.81430071e+02 9.57454677e+02 -5.56449739e+02 3 -5.06097984e+04 -7.81618558e+04 -3.04819713e+04 4 -5.04242937e+01 -1.26777196e+02 5.89515312e+01 5 -3.62781116e+02 -1.22492937e+03 3.75775018e+02 6 4.52198965e+00 1.76664026e+00 -5.67847064e+00 7 -9.88846661e+02 -2.51902504e+04 -7.90659040e+01 8 1.23766670e+03 2.53565978e+04 1.53556123e+02 9 -1.33743928e+02 -1.48451102e+00 -7.17201987e+02 10 -3.61283697e+03 3.54506169e+03 -8.64417394e+03 11 8.42602346e+02 -1.01596289e+03 -1.82478385e+03 12 -6.37886162e+02 2.58841672e+02 -8.57268042e+00 13 -1.21895444e+03 -1.26574435e+03 -9.37879617e+02 14 1.37314485e+03 1.66380746e+03 -4.57604833e+03 15 -1.50397509e+01 -5.69516724e+02 3.17234683e+03 16 4.24318638e+03 -2.91330901e+03 8.67211712e+03 17 -1.14535226e+02 -1.97384252e+01 1.37544163e+02 18 5.07302344e+04 7.81869995e+04 3.03391680e+04 19 7.65149620e+00 -4.51056757e+01 -2.21638323e+01 20 -1.99301330e+01 3.08910141e+01 5.78178083e+00 21 -2.49415530e+01 -1.45419559e+00 6.03005144e+00 22 3.23350988e+02 -8.53944067e-01 1.74917654e+02 23 6.94208772e+00 -1.15170190e+00 8.66707857e+00 24 1.49633485e+01 1.47437034e+01 1.41111183e+00 25 -7.31212333e+02 2.19528668e+02 2.35315254e+03 26 1.26796610e+03 3.22141216e+03 -3.79681837e+03 27 6.15891906e+03 -9.10100968e+03 -2.49663105e+03 28 -8.94547288e+03 6.59732664e+03 4.68333978e+03 29 -3.82949106e+03 -5.23546620e+03 1.16517569e+03 30 3.68330059e+03 5.50077597e+03 1.13134781e+03 31 7.50311121e+00 -9.44087861e-01 -7.48760292e+00 32 1.56617172e+03 -6.82417516e+02 1.70664981e+03 ================================================================================ VALGRIND OUTPUT ================================================================================ ==7554== Memcheck, a memory error detector ==7554== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==7554== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==7554== Command: python runner2.py TIDP_RajanWarnerCurtin_2016E_User01__MO_971845881377_000 ==7554== ==7554== Conditional jump or move depends on uninitialised value(s) ==7554== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==7554== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==7554== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7554== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7554== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7554== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7554== by 0x551B80: ??? (in /usr/bin/python3.6) ==7554== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7554== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7554== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7554== by 0x509D47: ??? (in /usr/bin/python3.6) ==7554== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7554== ==7554== Conditional jump or move depends on uninitialised value(s) ==7554== at 0x4E63408: internal_utf8_loop (loop.c:298) ==7554== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==7554== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==7554== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7554== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7554== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7554== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7554== by 0x551B80: ??? (in /usr/bin/python3.6) ==7554== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7554== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7554== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7554== by 0x509D47: ??? (in /usr/bin/python3.6) ==7554== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7554== ==7554== Conditional jump or move depends on uninitialised value(s) ==7554== at 0x4E63411: internal_utf8_loop (loop.c:303) ==7554== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==7554== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==7554== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7554== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7554== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7554== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7554== by 0x551B80: ??? (in /usr/bin/python3.6) ==7554== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7554== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7554== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7554== by 0x509D47: ??? (in /usr/bin/python3.6) ==7554== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7554== ==7554== Conditional jump or move depends on uninitialised value(s) ==7554== at 0x4E63458: internal_utf8_loop (loop.c:298) ==7554== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==7554== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==7554== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7554== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7554== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==7554== by 0x5BA640: ??? (in /usr/bin/python3.6) ==7554== by 0x551B80: ??? (in /usr/bin/python3.6) ==7554== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==7554== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==7554== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7554== by 0x509D47: ??? (in /usr/bin/python3.6) ==7554== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==7554== ==7554== Conditional jump or move depends on uninitialised value(s) ==7554== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==7554== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==7554== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==7554== by 0x547A3F: ??? (in /usr/bin/python3.6) ==7554== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==7554== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==7554== by 0x4F8388: ??? (in /usr/bin/python3.6) ==7554== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==7554== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==7554== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==7554== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==7554== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==7554== ==7554== ==7554== HEAP SUMMARY: ==7554== in use at exit: 2,764,995 bytes in 1,647 blocks ==7554== total heap usage: 36,296 allocs, 34,649 frees, 61,156,499 bytes allocated ==7554== ==7554== LEAK SUMMARY: ==7554== definitely lost: 0 bytes in 0 blocks ==7554== indirectly lost: 0 bytes in 0 blocks ==7554== possibly lost: 146,155 bytes in 87 blocks ==7554== still reachable: 2,618,840 bytes in 1,560 blocks ==7554== suppressed: 0 bytes in 0 blocks ==7554== Rerun with --leak-check=full to see details of leaked memory ==7554== ==7554== For counts of detected and suppressed errors, rerun with: -v ==7554== Use --track-origins=yes to see where uninitialised values come from ==7554== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12365 from 653) ================================================================================ 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.