!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_2016C_User01__MO_072437275969_001 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 = 11532.32318605049 Forces: 1 7.91808638e+00 2.66828246e+00 7.92285849e+00 2 -1.81493984e+02 9.54391441e+02 -5.53335925e+02 3 -5.03366001e+04 -7.77405323e+04 -3.03176347e+04 4 -5.06217432e+01 -1.26825515e+02 5.76076973e+01 5 -3.59289007e+02 -1.22162523e+03 3.73022672e+02 6 2.37846202e+00 1.70843425e+00 -4.38053652e+00 7 -9.84011162e+02 -2.50705259e+04 -7.91787887e+01 8 1.23197101e+03 2.52350616e+04 1.53141949e+02 9 -1.32174277e+02 -1.97932376e+00 -7.13663830e+02 10 -3.59748453e+03 3.53046322e+03 -8.60733105e+03 11 8.40327634e+02 -1.01309367e+03 -1.81603589e+03 12 -6.35571860e+02 2.58147204e+02 -8.21762095e+00 13 -1.21299300e+03 -1.26214515e+03 -9.34400278e+02 14 1.36723491e+03 1.65760749e+03 -4.55810771e+03 15 -1.38632899e+01 -5.65932482e+02 3.15945432e+03 16 4.22363605e+03 -2.90091884e+03 8.63397042e+03 17 -1.14594377e+02 -2.05583500e+01 1.36447062e+02 18 5.04563064e+04 7.77670832e+04 3.01749378e+04 19 8.99085164e+00 -4.50335214e+01 -2.15341368e+01 20 -2.03125270e+01 3.13198010e+01 6.47002210e+00 21 -2.53897320e+01 -1.50231195e+00 4.96960361e+00 22 3.22501501e+02 -8.86636946e-01 1.73989211e+02 23 6.74835289e+00 -1.02508437e+00 8.65154261e+00 24 1.48742860e+01 1.61181646e+01 2.11417864e+00 25 -7.27223925e+02 2.19018274e+02 2.34249268e+03 26 1.26184861e+03 3.20959031e+03 -3.78263752e+03 27 6.13117153e+03 -9.06230237e+03 -2.48488414e+03 28 -8.90801736e+03 6.56858723e+03 4.66415287e+03 29 -3.81427037e+03 -5.21443877e+03 1.15938343e+03 30 3.66881892e+03 5.47907176e+03 1.12854114e+03 31 7.71176422e+00 -9.15363344e-01 -6.93470666e+00 32 1.56147283e+03 -6.80595549e+02 1.70100743e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = user01 (Configuration in file "config-T-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11532.32318605049 Forces: 1 7.91808638e+00 2.66828246e+00 7.92285849e+00 2 -1.81493984e+02 9.54391441e+02 -5.53335925e+02 3 -5.03366001e+04 -7.77405323e+04 -3.03176347e+04 4 -5.06217432e+01 -1.26825515e+02 5.76076973e+01 5 -3.59289007e+02 -1.22162523e+03 3.73022672e+02 6 2.37846202e+00 1.70843425e+00 -4.38053652e+00 7 -9.84011162e+02 -2.50705259e+04 -7.91787887e+01 8 1.23197101e+03 2.52350616e+04 1.53141949e+02 9 -1.32174277e+02 -1.97932376e+00 -7.13663830e+02 10 -3.59748453e+03 3.53046322e+03 -8.60733105e+03 11 8.40327634e+02 -1.01309367e+03 -1.81603589e+03 12 -6.35571860e+02 2.58147204e+02 -8.21762095e+00 13 -1.21299300e+03 -1.26214515e+03 -9.34400278e+02 14 1.36723491e+03 1.65760749e+03 -4.55810771e+03 15 -1.38632899e+01 -5.65932482e+02 3.15945432e+03 16 4.22363605e+03 -2.90091884e+03 8.63397042e+03 17 -1.14594377e+02 -2.05583500e+01 1.36447062e+02 18 5.04563064e+04 7.77670832e+04 3.01749378e+04 19 8.99085164e+00 -4.50335214e+01 -2.15341368e+01 20 -2.03125270e+01 3.13198010e+01 6.47002210e+00 21 -2.53897320e+01 -1.50231195e+00 4.96960361e+00 22 3.22501501e+02 -8.86636946e-01 1.73989211e+02 23 6.74835289e+00 -1.02508437e+00 8.65154261e+00 24 1.48742860e+01 1.61181646e+01 2.11417864e+00 25 -7.27223925e+02 2.19018274e+02 2.34249268e+03 26 1.26184861e+03 3.20959031e+03 -3.78263752e+03 27 6.13117153e+03 -9.06230237e+03 -2.48488414e+03 28 -8.90801736e+03 6.56858723e+03 4.66415287e+03 29 -3.81427037e+03 -5.21443877e+03 1.15938343e+03 30 3.66881892e+03 5.47907176e+03 1.12854114e+03 31 7.71176422e+00 -9.15363344e-01 -6.93470666e+00 32 1.56147283e+03 -6.80595549e+02 1.70100743e+03 ================================================================================ VALGRIND OUTPUT ================================================================================ ==18048== Memcheck, a memory error detector ==18048== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==18048== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==18048== Command: python runner2.py TIDP_RajanWarnerCurtin_2016C_User01__MO_072437275969_001 ==18048== ==18048== Conditional jump or move depends on uninitialised value(s) ==18048== at 0x4FCDC2C: __wcsnlen_avx2 (strlen-avx2.S:106) ==18048== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==18048== by 0x4E81C40: wcstombs (wcstombs.c:34) ==18048== by 0x5471CF: ??? (in /usr/bin/python3.6) ==18048== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==18048== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==18048== by 0x5515C0: ??? (in /usr/bin/python3.6) ==18048== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==18048== by 0x50A432: ??? (in /usr/bin/python3.6) ==18048== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==18048== by 0x5095C7: ??? (in /usr/bin/python3.6) ==18048== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==18048== ==18048== Conditional jump or move depends on uninitialised value(s) ==18048== at 0x4E654E8: internal_utf8_loop (loop.c:298) ==18048== by 0x4E654E8: __gconv_transform_internal_utf8 (skeleton.c:609) ==18048== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==18048== by 0x4E81C40: wcstombs (wcstombs.c:34) ==18048== by 0x5471CF: ??? (in /usr/bin/python3.6) ==18048== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==18048== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==18048== by 0x5515C0: ??? (in /usr/bin/python3.6) ==18048== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==18048== by 0x50A432: ??? (in /usr/bin/python3.6) ==18048== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==18048== by 0x5095C7: ??? (in /usr/bin/python3.6) ==18048== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==18048== ==18048== Conditional jump or move depends on uninitialised value(s) ==18048== at 0x4E654F1: internal_utf8_loop (loop.c:303) ==18048== by 0x4E654F1: __gconv_transform_internal_utf8 (skeleton.c:609) ==18048== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==18048== by 0x4E81C40: wcstombs (wcstombs.c:34) ==18048== by 0x5471CF: ??? (in /usr/bin/python3.6) ==18048== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==18048== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==18048== by 0x5515C0: ??? (in /usr/bin/python3.6) ==18048== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==18048== by 0x50A432: ??? (in /usr/bin/python3.6) ==18048== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==18048== by 0x5095C7: ??? (in /usr/bin/python3.6) ==18048== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==18048== ==18048== Conditional jump or move depends on uninitialised value(s) ==18048== at 0x4E65538: internal_utf8_loop (loop.c:298) ==18048== by 0x4E65538: __gconv_transform_internal_utf8 (skeleton.c:609) ==18048== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==18048== by 0x4E81C40: wcstombs (wcstombs.c:34) ==18048== by 0x5471CF: ??? (in /usr/bin/python3.6) ==18048== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==18048== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==18048== by 0x5515C0: ??? (in /usr/bin/python3.6) ==18048== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==18048== by 0x50A432: ??? (in /usr/bin/python3.6) ==18048== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==18048== by 0x5095C7: ??? (in /usr/bin/python3.6) ==18048== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==18048== ==18048== Conditional jump or move depends on uninitialised value(s) ==18048== at 0x4FCDDB7: __wcsnlen_avx2 (strlen-avx2.S:264) ==18048== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==18048== by 0x4E81C40: wcstombs (wcstombs.c:34) ==18048== by 0x5471CF: ??? (in /usr/bin/python3.6) ==18048== by 0x5474B0: PyUnicode_FSConverter (in /usr/bin/python3.6) ==18048== by 0x4C4D46: ??? (in /usr/bin/python3.6) ==18048== by 0x4F7E48: ??? (in /usr/bin/python3.6) ==18048== by 0x4FB843: ??? (in /usr/bin/python3.6) ==18048== by 0x4FC3D4: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==18048== by 0x4C6448: ??? (in /usr/bin/python3.6) ==18048== by 0x50A259: ??? (in /usr/bin/python3.6) ==18048== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==18048== ==18048== ==18048== HEAP SUMMARY: ==18048== in use at exit: 2,776,527 bytes in 1,537 blocks ==18048== total heap usage: 50,189 allocs, 48,652 frees, 62,866,319 bytes allocated ==18048== ==18048== LEAK SUMMARY: ==18048== definitely lost: 0 bytes in 0 blocks ==18048== indirectly lost: 0 bytes in 0 blocks ==18048== possibly lost: 145,616 bytes in 85 blocks ==18048== still reachable: 2,630,911 bytes in 1,452 blocks ==18048== suppressed: 0 bytes in 0 blocks ==18048== Rerun with --leak-check=full to see details of leaked memory ==18048== ==18048== For counts of detected and suppressed errors, rerun with: -v ==18048== Use --track-origins=yes to see where uninitialised values come from ==18048== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12639 from 677) ================================================================================ 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.