Enter a model name: === Verification check vc-memory-leak start (2020-04-05 21:07:16) === !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_ZhouWadleyJohnson_2001NISTretabulation_Ta__MO_568033730744_000 Supported species : Ta random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Ta (Configuration in file "config-F-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = 12.26220426988192 Forces: 1 -6.40192208e+00 -1.26357786e+01 -1.31346057e+01 2 -1.37968090e+01 2.24809619e+01 -1.64865148e+01 3 -2.50254918e+00 -2.04876785e+01 -2.38609995e+00 4 -1.13216937e+01 5.17029487e+00 6.13410333e+00 5 2.02454359e+01 -2.93269780e+01 -7.05428997e+00 6 6.69819745e+00 1.29007662e+00 -1.24296330e+01 7 1.38243271e+01 -4.59545071e+01 -4.01213489e+01 8 -2.98179864e+01 -2.99750249e+01 -1.16162133e+01 9 -1.32751917e+01 -2.03922176e+01 -3.23645061e+01 10 -3.70176293e+00 2.83398001e+01 -3.19981463e+01 11 -5.76336388e+00 -2.00821280e+01 1.74408727e+00 12 -2.17011047e+01 2.96714524e+01 1.42568151e+01 13 -5.99129951e+00 -1.46538138e+01 -5.94018594e+01 14 1.11532308e+01 1.07462345e+01 -5.64078295e+00 15 6.75284404e+01 1.73519674e+01 5.45655230e+00 16 1.57496852e+01 4.58527866e+01 1.87565070e+01 17 -1.76799308e+01 -8.55678054e+00 -6.10563093e+00 18 -1.38460943e+01 1.06839107e+01 1.30807973e+01 19 7.77400098e+00 -1.50916270e+01 1.25754094e+01 20 -7.70044289e+00 1.10624232e+01 8.78388620e+00 21 -1.43540128e+01 -2.13653876e+01 1.41028869e+01 22 3.36219205e+01 2.92310631e+01 3.57159311e+01 23 5.61368965e+00 -2.84146405e+00 1.04622575e+01 24 4.02961217e+00 7.35637866e-01 1.11681558e+01 25 -2.32800421e+01 -6.57007490e+00 1.75668890e+01 26 -1.18145710e+01 3.16524791e+01 -1.23766299e+01 27 1.16600274e+01 -4.54118474e+01 1.79176633e+01 28 -3.75619456e+01 3.10588559e+01 6.49325973e+00 29 -7.80113508e+00 -9.37788022e+00 1.54237771e+01 30 1.31919261e+01 1.79054982e+01 -3.70449853e+00 31 2.40924951e+01 -1.43759153e+01 2.05209626e+01 32 1.31288688e+01 2.38656608e+01 2.46608187e+01 MONOATOMIC STRUCTURE (pbc=True)-- Species = Ta (Configuration in file "config-T-Ta.xyz") ----------------------------------------------------------------------------------------------------- Energy = 12.26220426988192 Forces: 1 -6.40192208e+00 -1.26357786e+01 -1.31346057e+01 2 -1.37968090e+01 2.24809619e+01 -1.64865148e+01 3 -2.50254918e+00 -2.04876785e+01 -2.38609995e+00 4 -1.13216937e+01 5.17029487e+00 6.13410333e+00 5 2.02454359e+01 -2.93269780e+01 -7.05428997e+00 6 6.69819745e+00 1.29007662e+00 -1.24296330e+01 7 1.38243271e+01 -4.59545071e+01 -4.01213489e+01 8 -2.98179864e+01 -2.99750249e+01 -1.16162133e+01 9 -1.32751917e+01 -2.03922176e+01 -3.23645061e+01 10 -3.70176293e+00 2.83398001e+01 -3.19981463e+01 11 -5.76336388e+00 -2.00821280e+01 1.74408727e+00 12 -2.17011047e+01 2.96714524e+01 1.42568151e+01 13 -5.99129951e+00 -1.46538138e+01 -5.94018594e+01 14 1.11532308e+01 1.07462345e+01 -5.64078295e+00 15 6.75284404e+01 1.73519674e+01 5.45655230e+00 16 1.57496852e+01 4.58527866e+01 1.87565070e+01 17 -1.76799308e+01 -8.55678054e+00 -6.10563093e+00 18 -1.38460943e+01 1.06839107e+01 1.30807973e+01 19 7.77400098e+00 -1.50916270e+01 1.25754094e+01 20 -7.70044289e+00 1.10624232e+01 8.78388620e+00 21 -1.43540128e+01 -2.13653876e+01 1.41028869e+01 22 3.36219205e+01 2.92310631e+01 3.57159311e+01 23 5.61368965e+00 -2.84146405e+00 1.04622575e+01 24 4.02961217e+00 7.35637866e-01 1.11681558e+01 25 -2.32800421e+01 -6.57007490e+00 1.75668890e+01 26 -1.18145710e+01 3.16524791e+01 -1.23766299e+01 27 1.16600274e+01 -4.54118474e+01 1.79176633e+01 28 -3.75619456e+01 3.10588559e+01 6.49325973e+00 29 -7.80113508e+00 -9.37788022e+00 1.54237771e+01 30 1.31919261e+01 1.79054982e+01 -3.70449853e+00 31 2.40924951e+01 -1.43759153e+01 2.05209626e+01 32 1.31288688e+01 2.38656608e+01 2.46608187e+01 ================================================================================ VALGRIND OUTPUT ================================================================================ ==93525== Memcheck, a memory error detector ==93525== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==93525== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==93525== Command: python runner2.py EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_Ta__MO_568033730744_000 ==93525== ==93525== Conditional jump or move depends on uninitialised value(s) ==93525== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==93525== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==93525== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==93525== by 0x547A3F: ??? (in /usr/bin/python3.6) ==93525== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==93525== by 0x5BA640: ??? (in /usr/bin/python3.6) ==93525== by 0x551B80: ??? (in /usr/bin/python3.6) ==93525== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==93525== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==93525== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==93525== by 0x509D47: ??? (in /usr/bin/python3.6) ==93525== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==93525== ==93525== Conditional jump or move depends on uninitialised value(s) ==93525== at 0x4E63408: internal_utf8_loop (loop.c:298) ==93525== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==93525== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==93525== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==93525== by 0x547A3F: ??? (in /usr/bin/python3.6) ==93525== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==93525== by 0x5BA640: ??? (in /usr/bin/python3.6) ==93525== by 0x551B80: ??? (in /usr/bin/python3.6) ==93525== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==93525== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==93525== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==93525== by 0x509D47: ??? (in /usr/bin/python3.6) ==93525== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==93525== ==93525== Conditional jump or move depends on uninitialised value(s) ==93525== at 0x4E63411: internal_utf8_loop (loop.c:303) ==93525== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==93525== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==93525== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==93525== by 0x547A3F: ??? (in /usr/bin/python3.6) ==93525== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==93525== by 0x5BA640: ??? (in /usr/bin/python3.6) ==93525== by 0x551B80: ??? (in /usr/bin/python3.6) ==93525== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==93525== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==93525== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==93525== by 0x509D47: ??? (in /usr/bin/python3.6) ==93525== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==93525== ==93525== Conditional jump or move depends on uninitialised value(s) ==93525== at 0x4E63458: internal_utf8_loop (loop.c:298) ==93525== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==93525== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==93525== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==93525== by 0x547A3F: ??? (in /usr/bin/python3.6) ==93525== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==93525== by 0x5BA640: ??? (in /usr/bin/python3.6) ==93525== by 0x551B80: ??? (in /usr/bin/python3.6) ==93525== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==93525== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==93525== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==93525== by 0x509D47: ??? (in /usr/bin/python3.6) ==93525== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==93525== ==93525== Conditional jump or move depends on uninitialised value(s) ==93525== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==93525== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==93525== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==93525== by 0x547A3F: ??? (in /usr/bin/python3.6) ==93525== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==93525== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==93525== by 0x4F8388: ??? (in /usr/bin/python3.6) ==93525== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==93525== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==93525== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==93525== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==93525== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==93525== ==93525== ==93525== HEAP SUMMARY: ==93525== in use at exit: 2,764,995 bytes in 1,647 blocks ==93525== total heap usage: 37,128 allocs, 35,481 frees, 66,479,295 bytes allocated ==93525== ==93525== LEAK SUMMARY: ==93525== definitely lost: 0 bytes in 0 blocks ==93525== indirectly lost: 0 bytes in 0 blocks ==93525== possibly lost: 146,155 bytes in 87 blocks ==93525== still reachable: 2,618,840 bytes in 1,560 blocks ==93525== suppressed: 0 bytes in 0 blocks ==93525== Rerun with --leak-check=full to see details of leaked memory ==93525== ==93525== For counts of detected and suppressed errors, rerun with: -v ==93525== Use --track-origins=yes to see where uninitialised values come from ==93525== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 11157 from 668) ================================================================================ 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. === Verification check vc-memory-leak end (2020-04-05 21:07:57) ===