!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_2016A_User01__MO_514760222899_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 = 11528.894146099454 Forces: 1 6.92754039e+00 2.69952726e+00 7.34790032e+00 2 -1.82360324e+02 9.54607783e+02 -5.52059163e+02 3 -5.03364787e+04 -7.77406534e+04 -3.03176764e+04 4 -5.10805661e+01 -1.27021129e+02 5.67268370e+01 5 -3.57203108e+02 -1.22198819e+03 3.71890571e+02 6 9.26472288e-01 1.59291628e+00 -3.69355532e+00 7 -9.84202974e+02 -2.50698026e+04 -7.94837908e+01 8 1.23208121e+03 2.52332550e+04 1.53045409e+02 9 -1.31339527e+02 -2.62865750e+00 -7.12633932e+02 10 -3.59769712e+03 3.53078339e+03 -8.60701384e+03 11 8.40978728e+02 -1.01389820e+03 -1.81442916e+03 12 -6.35427436e+02 2.58040427e+02 -7.93958793e+00 13 -1.21123248e+03 -1.26217750e+03 -9.34038706e+02 14 1.36689326e+03 1.65728989e+03 -4.55800093e+03 15 -1.33221295e+01 -5.65160023e+02 3.15964148e+03 16 4.22206697e+03 -2.90119152e+03 8.63288092e+03 17 -1.14847466e+02 -2.12440190e+01 1.35827081e+02 18 5.04557162e+04 7.77692226e+04 3.01746134e+04 19 1.01522470e+01 -4.50403794e+01 -2.10549420e+01 20 -2.06788694e+01 3.19274406e+01 6.66746280e+00 21 -2.58494838e+01 -1.70414165e+00 4.42043109e+00 22 3.22486008e+02 -8.91591589e-01 1.73880326e+02 23 6.33866828e+00 -7.46469677e-01 8.64470859e+00 24 1.51124771e+01 1.69540680e+01 2.63423951e+00 25 -7.25672210e+02 2.18914777e+02 2.34100093e+03 26 1.26136354e+03 3.20963318e+03 -3.78253548e+03 27 6.13170323e+03 -9.06175999e+03 -2.48502476e+03 28 -8.90891808e+03 6.56801626e+03 4.66497321e+03 29 -3.81435487e+03 -5.21397150e+03 1.15760981e+03 30 3.66806188e+03 5.47860398e+03 1.12957015e+03 31 7.86703743e+00 -9.09612464e-01 -6.51908151e+00 32 1.56198987e+03 -6.80752372e+02 1.70072851e+03 MONOATOMIC STRUCTURE (pbc=True)-- Species = user01 (Configuration in file "config-T-user01.xyz") ----------------------------------------------------------------------------------------------------- Energy = 11528.894146099454 Forces: 1 6.92754039e+00 2.69952726e+00 7.34790032e+00 2 -1.82360324e+02 9.54607783e+02 -5.52059163e+02 3 -5.03364787e+04 -7.77406534e+04 -3.03176764e+04 4 -5.10805661e+01 -1.27021129e+02 5.67268370e+01 5 -3.57203108e+02 -1.22198819e+03 3.71890571e+02 6 9.26472288e-01 1.59291628e+00 -3.69355532e+00 7 -9.84202974e+02 -2.50698026e+04 -7.94837908e+01 8 1.23208121e+03 2.52332550e+04 1.53045409e+02 9 -1.31339527e+02 -2.62865750e+00 -7.12633932e+02 10 -3.59769712e+03 3.53078339e+03 -8.60701384e+03 11 8.40978728e+02 -1.01389820e+03 -1.81442916e+03 12 -6.35427436e+02 2.58040427e+02 -7.93958793e+00 13 -1.21123248e+03 -1.26217750e+03 -9.34038706e+02 14 1.36689326e+03 1.65728989e+03 -4.55800093e+03 15 -1.33221295e+01 -5.65160023e+02 3.15964148e+03 16 4.22206697e+03 -2.90119152e+03 8.63288092e+03 17 -1.14847466e+02 -2.12440190e+01 1.35827081e+02 18 5.04557162e+04 7.77692226e+04 3.01746134e+04 19 1.01522470e+01 -4.50403794e+01 -2.10549420e+01 20 -2.06788694e+01 3.19274406e+01 6.66746280e+00 21 -2.58494838e+01 -1.70414165e+00 4.42043109e+00 22 3.22486008e+02 -8.91591589e-01 1.73880326e+02 23 6.33866828e+00 -7.46469677e-01 8.64470859e+00 24 1.51124771e+01 1.69540680e+01 2.63423951e+00 25 -7.25672210e+02 2.18914777e+02 2.34100093e+03 26 1.26136354e+03 3.20963318e+03 -3.78253548e+03 27 6.13170323e+03 -9.06175999e+03 -2.48502476e+03 28 -8.90891808e+03 6.56801626e+03 4.66497321e+03 29 -3.81435487e+03 -5.21397150e+03 1.15760981e+03 30 3.66806188e+03 5.47860398e+03 1.12957015e+03 31 7.86703743e+00 -9.09612464e-01 -6.51908151e+00 32 1.56198987e+03 -6.80752372e+02 1.70072851e+03 ================================================================================ VALGRIND OUTPUT ================================================================================ ==15439== Memcheck, a memory error detector ==15439== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==15439== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==15439== Command: python runner2.py TIDP_RajanWarnerCurtin_2016A_User01__MO_514760222899_001 ==15439== ==15439== Conditional jump or move depends on uninitialised value(s) ==15439== at 0x4FCDC2C: __wcsnlen_avx2 (strlen-avx2.S:106) ==15439== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==15439== by 0x4E81C40: wcstombs (wcstombs.c:34) ==15439== by 0x5471CF: ??? (in /usr/bin/python3.6) ==15439== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==15439== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==15439== by 0x5515C0: ??? (in /usr/bin/python3.6) ==15439== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==15439== by 0x50A432: ??? (in /usr/bin/python3.6) ==15439== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==15439== by 0x5095C7: ??? (in /usr/bin/python3.6) ==15439== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==15439== ==15439== Conditional jump or move depends on uninitialised value(s) ==15439== at 0x4E654E8: internal_utf8_loop (loop.c:298) ==15439== by 0x4E654E8: __gconv_transform_internal_utf8 (skeleton.c:609) ==15439== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==15439== by 0x4E81C40: wcstombs (wcstombs.c:34) ==15439== by 0x5471CF: ??? (in /usr/bin/python3.6) ==15439== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==15439== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==15439== by 0x5515C0: ??? (in /usr/bin/python3.6) ==15439== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==15439== by 0x50A432: ??? (in /usr/bin/python3.6) ==15439== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==15439== by 0x5095C7: ??? (in /usr/bin/python3.6) ==15439== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==15439== ==15439== Conditional jump or move depends on uninitialised value(s) ==15439== at 0x4E654F1: internal_utf8_loop (loop.c:303) ==15439== by 0x4E654F1: __gconv_transform_internal_utf8 (skeleton.c:609) ==15439== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==15439== by 0x4E81C40: wcstombs (wcstombs.c:34) ==15439== by 0x5471CF: ??? (in /usr/bin/python3.6) ==15439== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==15439== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==15439== by 0x5515C0: ??? (in /usr/bin/python3.6) ==15439== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==15439== by 0x50A432: ??? (in /usr/bin/python3.6) ==15439== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==15439== by 0x5095C7: ??? (in /usr/bin/python3.6) ==15439== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==15439== ==15439== Conditional jump or move depends on uninitialised value(s) ==15439== at 0x4E65538: internal_utf8_loop (loop.c:298) ==15439== by 0x4E65538: __gconv_transform_internal_utf8 (skeleton.c:609) ==15439== by 0x4EFBCD4: wcsrtombs (wcsrtombs.c:110) ==15439== by 0x4E81C40: wcstombs (wcstombs.c:34) ==15439== by 0x5471CF: ??? (in /usr/bin/python3.6) ==15439== by 0x6330AD: _Py_stat (in /usr/bin/python3.6) ==15439== by 0x5B9C10: ??? (in /usr/bin/python3.6) ==15439== by 0x5515C0: ??? (in /usr/bin/python3.6) ==15439== by 0x5A9DAB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==15439== by 0x50A432: ??? (in /usr/bin/python3.6) ==15439== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==15439== by 0x5095C7: ??? (in /usr/bin/python3.6) ==15439== by 0x50A2FC: ??? (in /usr/bin/python3.6) ==15439== ==15439== Conditional jump or move depends on uninitialised value(s) ==15439== at 0x4FCDDB7: __wcsnlen_avx2 (strlen-avx2.S:264) ==15439== by 0x4EFBCA1: wcsrtombs (wcsrtombs.c:104) ==15439== by 0x4E81C40: wcstombs (wcstombs.c:34) ==15439== by 0x5471CF: ??? (in /usr/bin/python3.6) ==15439== by 0x5474B0: PyUnicode_FSConverter (in /usr/bin/python3.6) ==15439== by 0x4C4D46: ??? (in /usr/bin/python3.6) ==15439== by 0x4F7E48: ??? (in /usr/bin/python3.6) ==15439== by 0x4FB843: ??? (in /usr/bin/python3.6) ==15439== by 0x4FC3D4: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==15439== by 0x4C6448: ??? (in /usr/bin/python3.6) ==15439== by 0x50A259: ??? (in /usr/bin/python3.6) ==15439== by 0x50BEB3: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==15439== ==15439== ==15439== HEAP SUMMARY: ==15439== in use at exit: 2,776,527 bytes in 1,537 blocks ==15439== total heap usage: 50,189 allocs, 48,652 frees, 62,866,319 bytes allocated ==15439== ==15439== LEAK SUMMARY: ==15439== definitely lost: 0 bytes in 0 blocks ==15439== indirectly lost: 0 bytes in 0 blocks ==15439== possibly lost: 145,616 bytes in 85 blocks ==15439== still reachable: 2,630,911 bytes in 1,452 blocks ==15439== suppressed: 0 bytes in 0 blocks ==15439== Rerun with --leak-check=full to see details of leaked memory ==15439== ==15439== For counts of detected and suppressed errors, rerun with: -v ==15439== Use --track-origins=yes to see where uninitialised values come from ==15439== 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.