!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !!!!! !!!!! !!!!! 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_AcklandVitek_1990_Cu__MO_642748370624_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 = -60.69604213636372 Forces: 1 -3.06769691e-01 -1.44314815e+00 -1.12114318e+00 2 -4.58502887e-01 4.81580626e-01 -1.68420572e+00 3 1.43937291e+00 -3.18392417e+00 -2.81930999e+00 4 -2.17883936e+00 1.12872650e+00 4.98491269e-01 5 -2.10553554e-01 -2.59833872e+00 -7.31694273e-01 6 1.02791803e+00 1.07066476e+00 -1.23833583e+00 7 2.19485830e+00 -4.23355845e+00 -2.62597178e+00 8 -2.54468074e+00 -2.04129523e+00 -1.19322952e+00 9 -2.85870194e+00 -1.80821226e+00 -3.76778937e+00 10 7.07617859e-01 4.61397334e+00 -3.22283288e+00 11 -1.08358919e+00 -2.80949550e+00 2.05742702e+00 12 -2.74187985e+00 2.67550929e+00 1.37493462e+00 13 7.76083475e-01 -2.35937038e+00 -6.61431576e+00 14 1.82618290e+00 1.78404140e+00 -1.48360194e+00 15 6.72153307e+00 -2.07973710e+00 -1.64305033e+00 16 -1.13407259e+00 6.73035216e+00 1.10669727e+00 17 -4.23703456e+00 -1.79336433e+00 -5.94331381e-01 18 8.00507989e-01 3.23715629e+00 9.06585713e-01 19 1.25420087e+00 -2.50023232e+00 2.65187443e+00 20 -1.25443309e+00 1.83018949e+00 1.60943433e+00 21 -1.76191047e+00 -3.69185447e+00 9.98996690e-01 22 4.65839052e+00 2.59585159e+00 2.24654419e+00 23 1.99221083e+00 -9.34085798e-01 1.71307616e+00 24 -1.59253433e+00 1.74242963e+00 1.45306773e+00 25 -3.15192638e+00 -2.13980078e+00 -1.09264441e+00 26 1.62433159e-01 4.41780581e+00 -2.43935481e+00 27 1.05157312e+01 -1.40014950e+01 3.57132152e+00 28 -1.24723963e+01 1.25654969e+01 2.11476119e+00 29 -2.98279983e+00 -2.23044973e+00 3.15402680e+00 30 2.80427263e+00 4.11871577e+00 1.22677648e+00 31 3.13965407e+00 -1.72386037e+00 2.65250313e+00 32 9.49656956e-01 2.57972928e+00 2.93529264e+00 MONOATOMIC STRUCTURE (pbc=True)-- Species = Cu (Configuration in file "config-T-Cu.xyz") ----------------------------------------------------------------------------------------------------- Energy = -60.69604213636372 Forces: 1 -3.06769691e-01 -1.44314815e+00 -1.12114318e+00 2 -4.58502887e-01 4.81580626e-01 -1.68420572e+00 3 1.43937291e+00 -3.18392417e+00 -2.81930999e+00 4 -2.17883936e+00 1.12872650e+00 4.98491269e-01 5 -2.10553554e-01 -2.59833872e+00 -7.31694273e-01 6 1.02791803e+00 1.07066476e+00 -1.23833583e+00 7 2.19485830e+00 -4.23355845e+00 -2.62597178e+00 8 -2.54468074e+00 -2.04129523e+00 -1.19322952e+00 9 -2.85870194e+00 -1.80821226e+00 -3.76778937e+00 10 7.07617859e-01 4.61397334e+00 -3.22283288e+00 11 -1.08358919e+00 -2.80949550e+00 2.05742702e+00 12 -2.74187985e+00 2.67550929e+00 1.37493462e+00 13 7.76083475e-01 -2.35937038e+00 -6.61431576e+00 14 1.82618290e+00 1.78404140e+00 -1.48360194e+00 15 6.72153307e+00 -2.07973710e+00 -1.64305033e+00 16 -1.13407259e+00 6.73035216e+00 1.10669727e+00 17 -4.23703456e+00 -1.79336433e+00 -5.94331381e-01 18 8.00507989e-01 3.23715629e+00 9.06585713e-01 19 1.25420087e+00 -2.50023232e+00 2.65187443e+00 20 -1.25443309e+00 1.83018949e+00 1.60943433e+00 21 -1.76191047e+00 -3.69185447e+00 9.98996690e-01 22 4.65839052e+00 2.59585159e+00 2.24654419e+00 23 1.99221083e+00 -9.34085798e-01 1.71307616e+00 24 -1.59253433e+00 1.74242963e+00 1.45306773e+00 25 -3.15192638e+00 -2.13980078e+00 -1.09264441e+00 26 1.62433159e-01 4.41780581e+00 -2.43935481e+00 27 1.05157312e+01 -1.40014950e+01 3.57132152e+00 28 -1.24723963e+01 1.25654969e+01 2.11476119e+00 29 -2.98279983e+00 -2.23044973e+00 3.15402680e+00 30 2.80427263e+00 4.11871577e+00 1.22677648e+00 31 3.13965407e+00 -1.72386037e+00 2.65250313e+00 32 9.49656956e-01 2.57972928e+00 2.93529264e+00 ================================================================================ VALGRIND OUTPUT ================================================================================ ==84724== Memcheck, a memory error detector ==84724== Copyright (C) 2002-2017, and GNU GPL'd, by Julian Seward et al. ==84724== Using Valgrind-3.13.0 and LibVEX; rerun with -h for copyright info ==84724== Command: python runner2.py EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000 ==84724== ==84724== Conditional jump or move depends on uninitialised value(s) ==84724== at 0x4FCBE77: __wcsnlen_avx2 (strlen-avx2.S:261) ==84724== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==84724== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==84724== by 0x547A3F: ??? (in /usr/bin/python3.6) ==84724== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==84724== by 0x5BA640: ??? (in /usr/bin/python3.6) ==84724== by 0x551B80: ??? (in /usr/bin/python3.6) ==84724== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==84724== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==84724== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==84724== by 0x509D47: ??? (in /usr/bin/python3.6) ==84724== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==84724== ==84724== Conditional jump or move depends on uninitialised value(s) ==84724== at 0x4E63408: internal_utf8_loop (loop.c:298) ==84724== by 0x4E63408: __gconv_transform_internal_utf8 (skeleton.c:609) ==84724== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==84724== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==84724== by 0x547A3F: ??? (in /usr/bin/python3.6) ==84724== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==84724== by 0x5BA640: ??? (in /usr/bin/python3.6) ==84724== by 0x551B80: ??? (in /usr/bin/python3.6) ==84724== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==84724== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==84724== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==84724== by 0x509D47: ??? (in /usr/bin/python3.6) ==84724== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==84724== ==84724== Conditional jump or move depends on uninitialised value(s) ==84724== at 0x4E63411: internal_utf8_loop (loop.c:303) ==84724== by 0x4E63411: __gconv_transform_internal_utf8 (skeleton.c:609) ==84724== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==84724== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==84724== by 0x547A3F: ??? (in /usr/bin/python3.6) ==84724== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==84724== by 0x5BA640: ??? (in /usr/bin/python3.6) ==84724== by 0x551B80: ??? (in /usr/bin/python3.6) ==84724== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==84724== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==84724== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==84724== by 0x509D47: ??? (in /usr/bin/python3.6) ==84724== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==84724== ==84724== Conditional jump or move depends on uninitialised value(s) ==84724== at 0x4E63458: internal_utf8_loop (loop.c:298) ==84724== by 0x4E63458: __gconv_transform_internal_utf8 (skeleton.c:609) ==84724== by 0x4EF9EF4: wcsrtombs (wcsrtombs.c:110) ==84724== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==84724== by 0x547A3F: ??? (in /usr/bin/python3.6) ==84724== by 0x63345D: _Py_stat (in /usr/bin/python3.6) ==84724== by 0x5BA640: ??? (in /usr/bin/python3.6) ==84724== by 0x551B80: ??? (in /usr/bin/python3.6) ==84724== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==84724== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==84724== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==84724== by 0x509D47: ??? (in /usr/bin/python3.6) ==84724== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==84724== ==84724== Conditional jump or move depends on uninitialised value(s) ==84724== at 0x4FCBCEC: __wcsnlen_avx2 (strlen-avx2.S:103) ==84724== by 0x4EF9EC1: wcsrtombs (wcsrtombs.c:104) ==84724== by 0x4E7FB20: wcstombs (wcstombs.c:34) ==84724== by 0x547A3F: ??? (in /usr/bin/python3.6) ==84724== by 0x547D20: PyUnicode_FSConverter (in /usr/bin/python3.6) ==84724== by 0x4CAD31: ??? (in /usr/bin/python3.6) ==84724== by 0x551B80: ??? (in /usr/bin/python3.6) ==84724== by 0x5AA6EB: _PyObject_FastCallKeywords (in /usr/bin/python3.6) ==84724== by 0x50ABB2: ??? (in /usr/bin/python3.6) ==84724== by 0x50C5B8: _PyEval_EvalFrameDefault (in /usr/bin/python3.6) ==84724== by 0x509D47: ??? (in /usr/bin/python3.6) ==84724== by 0x50AA7C: ??? (in /usr/bin/python3.6) ==84724== ==84724== ==84724== HEAP SUMMARY: ==84724== in use at exit: 2,764,995 bytes in 1,647 blocks ==84724== total heap usage: 36,204 allocs, 34,557 frees, 73,431,140 bytes allocated ==84724== ==84724== LEAK SUMMARY: ==84724== definitely lost: 0 bytes in 0 blocks ==84724== indirectly lost: 0 bytes in 0 blocks ==84724== possibly lost: 146,155 bytes in 87 blocks ==84724== still reachable: 2,618,840 bytes in 1,560 blocks ==84724== suppressed: 0 bytes in 0 blocks ==84724== Rerun with --leak-check=full to see details of leaked memory ==84724== ==84724== For counts of detected and suppressed errors, rerun with: -v ==84724== Use --track-origins=yes to see where uninitialised values come from ==84724== ERROR SUMMARY: 6672 errors from 5 contexts (suppressed: 11557 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.