!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AgrawalMishraWard_2013_Be__MO_404563086984_000 Supported species : Be random seed = 13 lattice constant (orig) = 3.000 perturbation amplitude = 0.300 number unit cells per side = 2 ----------------------------------------------------------------------------------------------------- MONOATOMIC STRUCTURE (pbc=False)-- Species = Be (Configuration in file "config-F-Be.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1.4235801087420363 Forces: 1 -4.40315132e+00 -6.79032703e+00 -1.08838404e+01 2 -1.00641885e+01 1.23566952e+01 -1.43340204e+00 3 1.19120159e+01 -6.66524419e+00 -4.58922723e+00 4 -1.41751574e+00 1.10598805e+01 5.95112293e+00 5 4.95486011e+00 -1.60940847e+01 1.08091530e+00 6 5.72386447e+00 5.05449558e+00 -2.22833069e+00 7 5.71033846e+00 -2.06860329e+01 -2.97020799e+01 8 -5.25972996e+00 -3.83401352e+00 -1.32328126e+01 9 -1.05582552e+00 -7.58605240e+00 -9.18977950e+00 10 -5.62084413e+00 8.47595478e+00 -1.24052241e+01 11 -1.52674234e+01 -1.22508102e+01 1.06488494e+01 12 -2.38815852e+00 8.56844796e+00 5.97113193e+00 13 -1.34030736e+00 -1.00645611e+01 -2.88294028e+01 14 3.60095280e+00 9.41798084e+00 -8.69173252e+00 15 1.90929936e+01 -1.81565615e+01 8.83953233e+00 16 2.85625094e+00 1.49813833e+01 1.49040467e+01 17 -1.16217430e+01 -2.04715492e+00 2.41704477e+00 18 3.24868441e+00 6.75456000e+00 -2.24229246e+00 19 7.53872189e+00 -8.45968437e+00 5.12827060e+00 20 -4.40377014e+00 7.23622987e+00 4.14818415e+00 21 -1.20945766e+01 -5.29844904e+00 1.54794650e+01 22 1.07557073e+01 1.46574802e+01 1.33769060e+01 23 1.31713161e+01 -7.56012475e+00 2.47784275e+00 24 -1.21170542e+01 8.85817282e+00 1.07662862e+00 25 -3.73763750e+00 -5.39242320e+00 -2.60689851e+00 26 -4.27942333e-01 8.79546286e+00 -1.08137794e+01 27 2.37935114e+01 -3.47256954e+01 8.02996229e+00 28 -2.85836398e+01 2.65042228e+01 2.46401580e+00 29 -5.59038644e+00 9.79727561e+00 1.26370199e+01 30 1.83277829e+00 1.28077252e+01 1.14205463e+01 31 7.83073841e+00 -6.06944503e+00 3.73026623e+00 32 3.37116029e+00 6.35469668e+00 7.06705116e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Be (Configuration in file "config-T-Be.xyz") ----------------------------------------------------------------------------------------------------- Energy = 1.4235801087420363 Forces: 1 -4.40315132e+00 -6.79032703e+00 -1.08838404e+01 2 -1.00641885e+01 1.23566952e+01 -1.43340204e+00 3 1.19120159e+01 -6.66524419e+00 -4.58922723e+00 4 -1.41751574e+00 1.10598805e+01 5.95112293e+00 5 4.95486011e+00 -1.60940847e+01 1.08091530e+00 6 5.72386447e+00 5.05449558e+00 -2.22833069e+00 7 5.71033846e+00 -2.06860329e+01 -2.97020799e+01 8 -5.25972996e+00 -3.83401352e+00 -1.32328126e+01 9 -1.05582552e+00 -7.58605240e+00 -9.18977950e+00 10 -5.62084413e+00 8.47595478e+00 -1.24052241e+01 11 -1.52674234e+01 -1.22508102e+01 1.06488494e+01 12 -2.38815852e+00 8.56844796e+00 5.97113193e+00 13 -1.34030736e+00 -1.00645611e+01 -2.88294028e+01 14 3.60095280e+00 9.41798084e+00 -8.69173252e+00 15 1.90929936e+01 -1.81565615e+01 8.83953233e+00 16 2.85625094e+00 1.49813833e+01 1.49040467e+01 17 -1.16217430e+01 -2.04715492e+00 2.41704477e+00 18 3.24868441e+00 6.75456000e+00 -2.24229246e+00 19 7.53872189e+00 -8.45968437e+00 5.12827060e+00 20 -4.40377014e+00 7.23622987e+00 4.14818415e+00 21 -1.20945766e+01 -5.29844904e+00 1.54794650e+01 22 1.07557073e+01 1.46574802e+01 1.33769060e+01 23 1.31713161e+01 -7.56012475e+00 2.47784275e+00 24 -1.21170542e+01 8.85817282e+00 1.07662862e+00 25 -3.73763750e+00 -5.39242320e+00 -2.60689851e+00 26 -4.27942333e-01 8.79546286e+00 -1.08137794e+01 27 2.37935114e+01 -3.47256954e+01 8.02996229e+00 28 -2.85836398e+01 2.65042228e+01 2.46401580e+00 29 -5.59038644e+00 9.79727561e+00 1.26370199e+01 30 1.83277829e+00 1.28077252e+01 1.14205463e+01 31 7.83073841e+00 -6.06944503e+00 3.73026623e+00 32 3.37116029e+00 6.35469668e+00 7.06705116e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==85366== Memcheck, a memory error detector ==85366== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==85366== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==85366== Command: python runner2.py EAM_Dynamo_AgrawalMishraWard_2013_Be__MO_404563086984_000 ==85366== ==85366== Conditional jump or move depends on uninitialised value(s) ==85366== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==85366== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==85366== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==85366== by 0x547A3F: ??? (in /usr/bin/python3.6) ==85366== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==85366== by 0x5BA640: ??? (in /usr/bin/python3.6) ==85366== by 0x551B80: ??? (in /usr/bin/python3.6) ==85366== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==85366== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==85366== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==85366== by 0x509D47: ??? (in /usr/bin/python3.6) ==85366== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==85366== ==85366== Conditional jump or move depends on uninitialised value(s) ==85366== at 0x4E63408: internal_utf8_loop (loop.c:298) ==85366== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==85366== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==85366== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==85366== by 0x547A3F: ??? (in /usr/bin/python3.6) ==85366== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==85366== by 0x5BA640: ??? (in /usr/bin/python3.6) ==85366== by 0x551B80: ??? (in /usr/bin/python3.6) ==85366== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==85366== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==85366== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==85366== by 0x509D47: ??? (in /usr/bin/python3.6) ==85366== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==85366== ==85366== Conditional jump or move depends on uninitialised value(s) ==85366== at 0x4E63411: internal_utf8_loop (loop.c:303) ==85366== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==85366== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==85366== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==85366== by 0x547A3F: ??? (in /usr/bin/python3.6) ==85366== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==85366== by 0x5BA640: ??? (in /usr/bin/python3.6) ==85366== by 0x551B80: ??? (in /usr/bin/python3.6) ==85366== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==85366== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==85366== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==85366== by 0x509D47: ??? (in /usr/bin/python3.6) ==85366== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==85366== ==85366== Conditional jump or move depends on uninitialised value(s) ==85366== at 0x4E63458: internal_utf8_loop (loop.c:298) ==85366== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==85366== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==85366== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==85366== by 0x547A3F: ??? (in /usr/bin/python3.6) ==85366== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==85366== by 0x5BA640: ??? (in /usr/bin/python3.6) ==85366== by 0x551B80: ??? (in /usr/bin/python3.6) ==85366== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==85366== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==85366== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==85366== by 0x509D47: ??? (in /usr/bin/python3.6) ==85366== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==85366== ==85366== Conditional jump or move depends on uninitialised value(s) ==85366== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==85366== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==85366== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==85366== by 0x547A3F: ??? (in /usr/bin/python3.6) ==85366== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==85366== by 0x4C51E6: ??? (in /usr/bin/python3.6) ==85366== by 0x4F8388: ??? (in /usr/bin/python3.6) ==85366== by 0x4FBD83: ??? (in /usr/bin/python3.6) ==85366== by 0x4FC914: _PyArg_ParseStack_SizeT (in /usr/bin/python3.6) ==85366== by 0x4C6C88: ??? (in /usr/bin/python3.6) ==85366== by 0x50A9D9: ??? (in /usr/bin/python3.6) ==85366== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==85366== ==85366== ==85366== HEAP SUMMARY: ==85366== in use at exit: 2,764,995 bytes in 1,647 blocks ==85366== total heap usage: 36,172 allocs, 34,525 frees, 90,707,918 bytes allocated ==85366== ==85366== LEAK SUMMARY: ==85366== definitely lost: 0 bytes in 0 blocks ==85366== indirectly lost: 0 bytes in 0 blocks ==85366== possibly lost: 146,155 bytes in 87 blocks ==85366== still reachable: 2,618,840 bytes in 1,560 blocks ==85366== suppressed: 0 bytes in 0 blocks ==85366== Rerun with --leak-check=full to see details of leaked memory ==85366== ==85366== For counts of detected and suppressed errors, rerun with: -v ==85366== Use --track-origins=yes to see where uninitialised values come from ==85366== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 12357 from 652) ================================================================================ 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.