!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_2016F_User01__MO_246297839798_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 = 11538.139086436833 Forces: 1 9.86878869e+00 3.02898849e+00 9.73212761e+00 2 -1.80388423e+02 9.54949512e+02 -5.55820433e+02 3 -5.03360493e+04 -7.77396597e+04 -3.03187438e+04 4 -5.10282024e+01 -1.26104771e+02 6.02140441e+01 5 -3.62645082e+02 -1.22049603e+03 3.75795728e+02 6 5.26845341e+00 1.50476012e+00 -7.47922714e+00 7 -9.83698365e+02 -2.50725745e+04 -7.82228991e+01 8 1.23167781e+03 2.52397694e+04 1.52513112e+02 9 -1.34411803e+02 -2.12817155e+00 -7.16404436e+02 10 -3.59906716e+03 3.53036029e+03 -8.60802411e+03 11 8.39987654e+02 -1.01288493e+03 -1.81808570e+03 12 -6.36770298e+02 2.58105211e+02 -8.63476545e+00 13 -1.21638674e+03 -1.26108495e+03 -9.34511756e+02 14 1.37053836e+03 1.65756163e+03 -4.55931256e+03 15 -1.41465560e+01 -5.68158645e+02 3.15934812e+03 16 4.22779122e+03 -2.89941925e+03 8.63858710e+03 17 -1.14004057e+02 -1.89590556e+01 1.37893142e+02 18 5.04567679e+04 7.77647714e+04 3.01757023e+04 19 7.43015686e+00 -4.50554074e+01 -2.28282279e+01 20 -2.01139194e+01 3.10836781e+01 4.89905452e+00 21 -2.53954370e+01 -1.44364504e+00 7.44617460e+00 22 3.22797309e+02 -7.92035557e-01 1.76068215e+02 23 6.93209891e+00 -1.15004475e+00 8.65460771e+00 24 1.58226904e+01 1.23250436e+01 7.62242602e-01 25 -7.29110931e+02 2.18172661e+02 2.34517086e+03 26 1.26375035e+03 3.20917883e+03 -3.78429070e+03 27 6.13035149e+03 -9.06422968e+03 -2.48443823e+03 28 -8.90668492e+03 6.56874200e+03 4.66271199e+03 29 -3.81518310e+03 -5.21551353e+03 1.16150212e+03 30 3.66808411e+03 5.47936929e+03 1.12733289e+03 31 7.26455482e+00 -9.73110047e-01 -8.03533701e+00 32 1.56075136e+03 -6.78295193e+02 1.70049831e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = user01 (Configuration in file "config-T-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11538.139086436833 Forces: 1 9.86878869e+00 3.02898849e+00 9.73212761e+00 2 -1.80388423e+02 9.54949512e+02 -5.55820433e+02 3 -5.03360493e+04 -7.77396597e+04 -3.03187438e+04 4 -5.10282024e+01 -1.26104771e+02 6.02140441e+01 5 -3.62645082e+02 -1.22049603e+03 3.75795728e+02 6 5.26845341e+00 1.50476012e+00 -7.47922714e+00 7 -9.83698365e+02 -2.50725745e+04 -7.82228991e+01 8 1.23167781e+03 2.52397694e+04 1.52513112e+02 9 -1.34411803e+02 -2.12817155e+00 -7.16404436e+02 10 -3.59906716e+03 3.53036029e+03 -8.60802411e+03 11 8.39987654e+02 -1.01288493e+03 -1.81808570e+03 12 -6.36770298e+02 2.58105211e+02 -8.63476545e+00 13 -1.21638674e+03 -1.26108495e+03 -9.34511756e+02 14 1.37053836e+03 1.65756163e+03 -4.55931256e+03 15 -1.41465560e+01 -5.68158645e+02 3.15934812e+03 16 4.22779122e+03 -2.89941925e+03 8.63858710e+03 17 -1.14004057e+02 -1.89590556e+01 1.37893142e+02 18 5.04567679e+04 7.77647714e+04 3.01757023e+04 19 7.43015686e+00 -4.50554074e+01 -2.28282279e+01 20 -2.01139194e+01 3.10836781e+01 4.89905452e+00 21 -2.53954370e+01 -1.44364504e+00 7.44617460e+00 22 3.22797309e+02 -7.92035557e-01 1.76068215e+02 23 6.93209891e+00 -1.15004475e+00 8.65460771e+00 24 1.58226904e+01 1.23250436e+01 7.62242602e-01 25 -7.29110931e+02 2.18172661e+02 2.34517086e+03 26 1.26375035e+03 3.20917883e+03 -3.78429070e+03 27 6.13035149e+03 -9.06422968e+03 -2.48443823e+03 28 -8.90668492e+03 6.56874200e+03 4.66271199e+03 29 -3.81518310e+03 -5.21551353e+03 1.16150212e+03 30 3.66808411e+03 5.47936929e+03 1.12733289e+03 31 7.26455482e+00 -9.73110047e-01 -8.03533701e+00 32 1.56075136e+03 -6.78295193e+02 1.70049831e+03 ================================================================================ VALGRIND OUTPUT ================================================================================ ==22074== Memcheck, a memory error detector ==22074== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==22074== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==22074== Command: python runner2.py TIDP_RajanWarnerCurtin_2016F_User01__MO_246297839798_001 ==22074== ==22074== Conditional jump or move depends on uninitialised value(s) ==22074== at 0x4FCDC2C: __wcsnlen_avx2 (strlen-avx2.S:106) ==22074== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==22074== by 0x4E81C40: wcstombs (wcstombs.c:34) ==22074== by 0x5471CF: ??? (in /usr/bin/python3.6) ==22074== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==22074== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==22074== by 0x5515C0: ??? (in /usr/bin/python3.6) ==22074== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==22074== by 0x50A432: ??? (in /usr/bin/python3.6) ==22074== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==22074== by 0x5095C7: ??? (in /usr/bin/python3.6) ==22074== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==22074== ==22074== Conditional jump or move depends on uninitialised value(s) ==22074== at 0x4E654E8: internal_utf8_loop (loop.c:298) ==22074== by 0x4E654E8: __gconv_transform_internal_utf8 (skeleton.c:609) ==22074== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==22074== by 0x4E81C40: wcstombs (wcstombs.c:34) ==22074== by 0x5471CF: ??? (in /usr/bin/python3.6) ==22074== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==22074== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==22074== by 0x5515C0: ??? (in /usr/bin/python3.6) ==22074== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==22074== by 0x50A432: ??? (in /usr/bin/python3.6) ==22074== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==22074== by 0x5095C7: ??? (in /usr/bin/python3.6) ==22074== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==22074== ==22074== Conditional jump or move depends on uninitialised value(s) ==22074== at 0x4E654F1: internal_utf8_loop (loop.c:303) ==22074== by 0x4E654F1: __gconv_transform_internal_utf8 (skeleton.c:609) ==22074== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==22074== by 0x4E81C40: wcstombs (wcstombs.c:34) ==22074== by 0x5471CF: ??? (in /usr/bin/python3.6) ==22074== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==22074== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==22074== by 0x5515C0: ??? (in /usr/bin/python3.6) ==22074== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==22074== by 0x50A432: ??? (in /usr/bin/python3.6) ==22074== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==22074== by 0x5095C7: ??? (in /usr/bin/python3.6) ==22074== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==22074== ==22074== Conditional jump or move depends on uninitialised value(s) ==22074== at 0x4E65538: internal_utf8_loop (loop.c:298) ==22074== by 0x4E65538: __gconv_transform_internal_utf8 (skeleton.c:609) ==22074== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==22074== by 0x4E81C40: wcstombs (wcstombs.c:34) ==22074== by 0x5471CF: ??? (in /usr/bin/python3.6) ==22074== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==22074== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==22074== by 0x5515C0: ??? (in /usr/bin/python3.6) ==22074== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==22074== by 0x50A432: ??? (in /usr/bin/python3.6) ==22074== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==22074== by 0x5095C7: ??? (in /usr/bin/python3.6) ==22074== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==22074== ==22074== Conditional jump or move depends on uninitialised value(s) ==22074== at 0x4FCDDB7: __wcsnlen_avx2 (strlen-avx2.S:264) ==22074== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==22074== by 0x4E81C40: wcstombs (wcstombs.c:34) ==22074== by 0x5471CF: ??? (in /usr/bin/python3.6) ==22074== by 0x5474B0: PyUnicode_FSConverter (in /usr/bin/python3.6) ==22074== by 0x4C4D46: ??? (in /usr/bin/python3.6) ==22074== by 0x4F7E48: ??? (in /usr/bin/python3.6) ==22074== by 0x4FB843: ??? (in /usr/bin/python3.6) ==22074== by 0x4FC3D4: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==22074== by 0x4C6448: ??? (in /usr/bin/python3.6) ==22074== by 0x50A259: ??? (in /usr/bin/python3.6) ==22074== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==22074== ==22074== ==22074== HEAP SUMMARY: ==22074== in use at exit: 2,776,527 bytes in 1,537 blocks ==22074== total heap usage: 50,195 allocs, 48,658 frees, 62,863,027 bytes allocated ==22074== ==22074== LEAK SUMMARY: ==22074== definitely lost: 0 bytes in 0 blocks ==22074== indirectly lost: 0 bytes in 0 blocks ==22074== possibly lost: 145,616 bytes in 85 blocks ==22074== still reachable: 2,630,911 bytes in 1,452 blocks ==22074== suppressed: 0 bytes in 0 blocks ==22074== Rerun with --leak-check=full to see details of leaked memory ==22074== ==22074== For counts of detected and suppressed errors, rerun with: -v ==22074== Use --track-origins=yes to see where uninitialised values come from ==22074== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12640 from 679) ================================================================================ 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.