!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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 : EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000 Supported species : Cu random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Cu (Configuration in file "config-F-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -59.23876383634842 Forces: 1 -4.02797770e-01 -1.45112483e+00 -1.18704229e+00 2 -2.54527065e-01 5.91567478e-01 -1.70721683e+00 3 1.30488260e+00 -3.19713588e+00 -2.40398019e+00 4 -2.22069426e+00 1.03335778e+00 4.80566220e-01 5 -1.74902882e-01 -2.55305533e+00 -8.01491769e-01 6 1.15955561e+00 1.13190338e+00 -1.32096354e+00 7 2.08279094e+00 -3.96799448e+00 -2.47385014e+00 8 -2.48097030e+00 -1.65451314e+00 -9.00722946e-01 9 -2.89091928e+00 -1.56077548e+00 -3.74376297e+00 10 6.83784581e-01 4.36525578e+00 -3.09398902e+00 11 -1.08801896e+00 -2.71258315e+00 1.58618640e+00 12 -2.62902236e+00 2.58789983e+00 1.45083480e+00 13 7.74103800e-01 -2.30092400e+00 -6.45857489e+00 14 1.72193988e+00 1.60985611e+00 -1.47772577e+00 15 6.30932482e+00 -2.04321883e+00 -1.56898527e+00 16 -1.19737457e+00 6.42459240e+00 1.09254444e+00 17 -4.25294068e+00 -1.83669388e+00 -4.00819123e-01 18 1.07471132e+00 3.36622641e+00 6.43834436e-01 19 1.14750694e+00 -2.40229741e+00 2.68941584e+00 20 -1.40668755e+00 1.64005055e+00 1.66517996e+00 21 -1.56957579e+00 -3.64486250e+00 9.50277566e-01 22 4.70921588e+00 2.39640295e+00 1.95413418e+00 23 1.82774548e+00 -9.25946559e-01 1.69358639e+00 24 -1.60616470e+00 1.54763024e+00 1.46013658e+00 25 -2.98784730e+00 -2.09686534e+00 -1.01643945e+00 26 3.19836519e-01 4.22413578e+00 -2.43038095e+00 27 1.03122000e+01 -1.38250837e+01 3.43324464e+00 28 -1.24454626e+01 1.24063281e+01 2.10047506e+00 29 -2.73472367e+00 -2.09762634e+00 3.08464211e+00 30 3.00295707e+00 4.05895616e+00 1.09088268e+00 31 2.97709729e+00 -1.67655599e+00 2.74077062e+00 32 9.34977000e-01 2.56309395e+00 2.86923325e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -59.23876383634842 Forces: 1 -4.02797770e-01 -1.45112483e+00 -1.18704229e+00 2 -2.54527065e-01 5.91567478e-01 -1.70721683e+00 3 1.30488260e+00 -3.19713588e+00 -2.40398019e+00 4 -2.22069426e+00 1.03335778e+00 4.80566220e-01 5 -1.74902882e-01 -2.55305533e+00 -8.01491769e-01 6 1.15955561e+00 1.13190338e+00 -1.32096354e+00 7 2.08279094e+00 -3.96799448e+00 -2.47385014e+00 8 -2.48097030e+00 -1.65451314e+00 -9.00722946e-01 9 -2.89091928e+00 -1.56077548e+00 -3.74376297e+00 10 6.83784581e-01 4.36525578e+00 -3.09398902e+00 11 -1.08801896e+00 -2.71258315e+00 1.58618640e+00 12 -2.62902236e+00 2.58789983e+00 1.45083480e+00 13 7.74103800e-01 -2.30092400e+00 -6.45857489e+00 14 1.72193988e+00 1.60985611e+00 -1.47772577e+00 15 6.30932482e+00 -2.04321883e+00 -1.56898527e+00 16 -1.19737457e+00 6.42459240e+00 1.09254444e+00 17 -4.25294068e+00 -1.83669388e+00 -4.00819123e-01 18 1.07471132e+00 3.36622641e+00 6.43834436e-01 19 1.14750694e+00 -2.40229741e+00 2.68941584e+00 20 -1.40668755e+00 1.64005055e+00 1.66517996e+00 21 -1.56957579e+00 -3.64486250e+00 9.50277566e-01 22 4.70921588e+00 2.39640295e+00 1.95413418e+00 23 1.82774548e+00 -9.25946559e-01 1.69358639e+00 24 -1.60616470e+00 1.54763024e+00 1.46013658e+00 25 -2.98784730e+00 -2.09686534e+00 -1.01643945e+00 26 3.19836519e-01 4.22413578e+00 -2.43038095e+00 27 1.03122000e+01 -1.38250837e+01 3.43324464e+00 28 -1.24454626e+01 1.24063281e+01 2.10047506e+00 29 -2.73472367e+00 -2.09762634e+00 3.08464211e+00 30 3.00295707e+00 4.05895616e+00 1.09088268e+00 31 2.97709729e+00 -1.67655599e+00 2.74077062e+00 32 9.34977000e-01 2.56309395e+00 2.86923325e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==84582== Memcheck, a memory error detector ==84582== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==84582== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==84582== Command: python runner2.py EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000 ==84582== ==84582== Conditional jump or move depends on uninitialised value(s) ==84582== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==84582== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==84582== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==84582== by 0x547A3F: ??? (in /usr/bin/python3.6) ==84582== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==84582== by 0x5BA640: ??? (in /usr/bin/python3.6) ==84582== by 0x551B80: ??? (in /usr/bin/python3.6) ==84582== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==84582== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==84582== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==84582== by 0x509D47: ??? (in /usr/bin/python3.6) ==84582== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==84582== ==84582== Conditional jump or move depends on uninitialised value(s) ==84582== at 0x4E63408: internal_utf8_loop (loop.c:298) ==84582== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==84582== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==84582== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==84582== by 0x547A3F: ??? (in /usr/bin/python3.6) ==84582== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==84582== by 0x5BA640: ??? (in /usr/bin/python3.6) ==84582== by 0x551B80: ??? (in /usr/bin/python3.6) ==84582== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==84582== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==84582== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==84582== by 0x509D47: ??? (in /usr/bin/python3.6) ==84582== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==84582== ==84582== Conditional jump or move depends on uninitialised value(s) ==84582== at 0x4E63411: internal_utf8_loop (loop.c:303) ==84582== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==84582== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==84582== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==84582== by 0x547A3F: ??? (in /usr/bin/python3.6) ==84582== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==84582== by 0x5BA640: ??? (in /usr/bin/python3.6) ==84582== by 0x551B80: ??? (in /usr/bin/python3.6) ==84582== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==84582== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==84582== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==84582== by 0x509D47: ??? (in /usr/bin/python3.6) ==84582== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==84582== ==84582== Conditional jump or move depends on uninitialised value(s) ==84582== at 0x4E63458: internal_utf8_loop (loop.c:298) ==84582== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==84582== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==84582== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==84582== by 0x547A3F: ??? (in /usr/bin/python3.6) ==84582== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==84582== by 0x5BA640: ??? (in /usr/bin/python3.6) ==84582== by 0x551B80: ??? (in /usr/bin/python3.6) ==84582== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==84582== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==84582== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==84582== by 0x509D47: ??? (in /usr/bin/python3.6) ==84582== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==84582== ==84582== Conditional jump or move depends on uninitialised value(s) ==84582== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==84582== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==84582== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==84582== by 0x547A3F: ??? (in /usr/bin/python3.6) ==84582== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==84582== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==84582== by 0x4F8388: ??? (in /usr/bin/python3.6) ==84582== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==84582== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==84582== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==84582== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==84582== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==84582== ==84582== ==84582== HEAP SUMMARY: ==84582== in use at exit: 2,764,995 bytes in 1,647 blocks ==84582== total heap usage: 36,204 allocs, 34,557 frees, 73,432,954 bytes allocated ==84582== ==84582== LEAK SUMMARY: ==84582== definitely lost: 0 bytes in 0 blocks ==84582== indirectly lost: 0 bytes in 0 blocks ==84582== possibly lost: 146,155 bytes in 87 blocks ==84582== still reachable: 2,618,840 bytes in 1,560 blocks ==84582== suppressed: 0 bytes in 0 blocks ==84582== Rerun with --leak-check=full to see details of leaked memory ==84582== ==84582== For counts of detected and suppressed errors, rerun with: -v ==84582== Use --track-origins=yes to see where uninitialised values come from ==84582== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12342 from 651) ================================================================================ 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.